0 B8R1.50 C1C(=C(C(=O)O1)Br)Br D167417 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.50 C1CC(=O)N(C1=O)Br B105057 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.50 C1CC(=O)N(C1=O)Br B105059 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.50 C1CC(=O)N(C1=O)Cl C105072 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.50 C1CC(=O)N(C1=O)I I107018 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.50 C1CC(=O)N(C1=O)O H109330 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.50 CC1=C(C(=O)CC1)O H139285 [0,0,0,0,0,0|0,0,2]=2 9 B8R1.50 CC1=C(C(=O)CO1)O H120034 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.50 CC1C(=O)CCC1=O M136868 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.50 CC1CCC(=O)C1=O M109224 [0,0,0,0,0,0|0,0,0]=0 12 B8R1.50 CC1CCC(=O)N1C D467310 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.50 CN1C(=O)CCC1=O N159128 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.50 CN1C(CCC1=O)O H351403 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.50 CN1CCN(C1=O)C D109179 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.50 CN1CCN(C1=O)C D109180 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.50 CN1CCN(C1=O)C D131598 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.50 CN1CC[N+](=C1Cl)C C109317 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.50 CN1CC[N+](=C1Cl)C C110330 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.50 CN1CC[N+](=C1Cl)C C117160 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.50 CN1CC[N+](=C1F)C F100525 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.2 C1C(=CC(=O)O1)O T103765 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.2 C1C(CNC1=O)N A587603 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.2 C1C(CNC1=O)O H119311 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.2 C1C(CNC1=O)O H119312 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.2 C1C(CNC1=O)O H183207 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 C1C(COC1=O)N R189910 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.2 C1C(COC1=O)N S189909 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.2 C1C(COC1=O)O H107941 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.2 C1C(OC(=O)O1)Cl C154009 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.2 C1C(OC(=O)O1)Cl C298772 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.2 C1C(OC(=O)O1)F F120339 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.2 C1CC(=O)CC1=O C138777 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.2 C1CC(=O)NC1=O S104077 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.2 C1CC(=O)NC1=O S104079 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.2 C1CC(=O)OC1=O S104823 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.2 C1CC(=O)OC1=O S104824 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.2 CC1=CC(=O)CC1 M109537 [1,0,0,0,0,0|0,0,1]=2 39 B7R1.2 CC1=CC(=O)NN1 M133849 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.2 CC1=CC(=O)NO1 BWY397355 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.2 CC1=CC(=O)NO1 BWY397369 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.2 CC1=CC(=O)NO1 BWY397380 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.2 CC1=CC(=O)NO1 H109938 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.2 CC1=CC(=O)NO1 H140830 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.2 CC1=CC(=O)OC1 M158202 [1,0,0,0,0,0|1,0,1]=3 46 B7R1.2 CC1=CCC(=O)O1 A151155 [1,0,0,0,0,0|1,0,2]=4 47 B7R1.2 CC1=CCC(=O)O1 A433012 [1,0,0,0,0,0|1,0,2]=4 48 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,0,0,0|0,0,1]=2 49 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.2 CC1CCC(C1)O M351118 [1,0,0,0,0,0|0,0,3]=4 52 B7R1.2 CC1CCC(N1)C D169683 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.2 CC1CCC(O1)C D155243 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.2 CC1CNC(=S)N1 N132557 [1,0,0,0,0,0|2,1,0]=4 55 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.2 CC1COS(=O)O1 M120340 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,0,0,0|1,0,1]=3 63 B7R1.4 C1C(C(=O)NO1)N C108718 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.4 C1C(C(=O)NO1)N D136996 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.4 C1C(C(=O)NO1)N D425443 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.4 C1C(C(=O)NO1)N L423473 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.4 C1C(C(=O)NO1)N S136251 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.4 C1CC(=O)C(=C1)O H189495 [1,0,0,0,0,0|0,0,2]=3 69 B7R1.4 C1CC(C(=O)C1)Cl C103555 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.4 C1CC(C(=O)C1)Cl C598656 [1,0,0,0,0,0|1,0,1]=3 71 B7R1.4 C1CNC(=O)C1O H486731 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.4 C1COC(=O)C1Br B107924 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.4 C1COC(=O)C1N A101211 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.4 C1COC(=O)C1N I167498 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.4 C1COC(=O)C1N R137962 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.4 C1COC(=O)C1O H113417 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.4 C1COC(=O)C1O R591020 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.4 C1COC(=O)C1O S161076 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.4 C1COC(=O)N1N A114272 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.4 C1CSC(=O)C1N H108030 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.4 C1CSC(=O)C1N S169532 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.4 C=C1CCOC1=O M108009 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.4 CC1=CCCC1=O M165952 [1,0,0,0,0,0|1,0,1]=3 84 B7R1.4 CC1=CCOC1=O M158201 [1,0,0,0,0,0|1,0,2]=4 85 B7R1.4 CC1C(=O)CCO1 M102944 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.4 CC1C(=O)CCS1 M102985 [1,0,0,0,0,0|1,0,1]=3 87 B7R1.4 CC1CCCC1=O M138029 [1,0,0,0,0,0|0,0,1]=2 88 B7R1.4 CC1CCCC1O B300625 [1,0,0,0,0,0|0,0,3]=4 89 B7R1.4 CC1CCOC1=O A151225 [1,0,0,0,0,0|1,0,0]=2 90 B7R1.4 CN1C(=O)C=CN1 H133658 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.4 CN1C(=O)C=CS1 M110103 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.4 CN1C(=O)C=CS1 M132907 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.4 CN1CCCC1=O M100588 [1,0,0,0,0,0|1,0,1]=3 94 B7R1.4 CN1CCCC1=O M100589 [1,0,0,0,0,0|1,0,1]=3 95 B7R1.4 CN1CCCC1=O M100590 [1,0,0,0,0,0|1,0,1]=3 96 B7R1.4 CN1CCCC1=O M103246 [1,0,0,0,0,0|1,0,1]=3 97 B7R1.4 CN1CCCC1=O M103247 [1,0,0,0,0,0|1,0,1]=3 98 B7R1.4 CN1CCCC1=O M103248 [1,0,0,0,0,0|1,0,1]=3 99 B7R1.4 CN1CCCC1=O M103250 [1,0,0,0,0,0|1,0,1]=3 100 B7R1.4 CN1CCCC1=O M119668 [1,0,0,0,0,0|1,0,1]=3 101 B7R1.4 CN1CCCC1=O M434296 [1,0,0,0,0,0|1,0,1]=3 102 B7R1.4 CN1CCCC1=S M140448 [1,0,0,0,0,0|1,1,1]=4 103 B7R1.4 CN1CCNC1=O M304416 [1,0,0,0,0,0|2,0,0]=3 104 B7R1.4 CN1CCOC1=O M132701 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.27 CCC1=C(CNC1=O)C E135294 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.37 CC1C(=C(C(=O)O1)O)C D120038 [0,1,0,0,0,0|1,0,2]=4 107 B9R1.37 CC1C(=C(C(=O)O1)O)C D120039 [0,1,0,0,0,0|1,0,2]=4 108 B9R1.37 CC1C(=C(C(=O)O1)O)C D120040 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.37 CC1C(=C(C(=O)O1)O)C D120041 [0,1,0,0,0,0|1,0,2]=4 110 B9R1.37 CC1C(=O)C(=C(O1)C)O F118422 [0,1,0,0,0,0|1,0,2]=4 111 B9R1.37 CC1CC(=O)C(=O)C1C D102535 [0,1,0,0,0,0|0,0,0]=1 112 B9R1.37 CC1CC(C(=O)C1=O)C C304687 [0,1,0,0,0,0|0,0,0]=1 113 B9R1.37 CC1CC(C(=O)C1=O)C D137771 [0,1,0,0,0,0|0,0,0]=1 114 B9R1.132 CCC1=C(C(=O)CC1)O E102537 [0,1,0,0,0,0|0,0,2]=3 115 B9R1.138 CC1(COC(=O)C1=O)C D166887 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.138 CC1(COC(=O)C1O)C P122332 [0,1,0,0,0,0|1,0,2]=4 117 B9R1.138 CC1(COC(=O)C1O)C S138963 [0,1,0,0,0,0|1,0,2]=4 118 B9R1.138 CC1(COC(=O)C1O)C S161101 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.3 C(CC(=O)NN)CO B301222 [0,0,1,0,0,0|3,0,0]=4 120 B7R0.3 C=CC(=O)NCCO N159040 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.3 C=CC(=O)OCCCl C477272 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.3 C=CC(=O)OCCO H104535 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.3 CCCCC(=C)CC E156236 [0,0,1,0,0,0|2,0,1]=4 124 B7R0.3 CCCCC(=O)CC H103766 [0,0,1,0,0,0|1,0,1]=3 125 B7R0.3 CCCCC(=O)NN P135113 [0,0,1,0,0,0|2,0,0]=3 126 B7R0.3 CCCCC(=O)OC M108213 [0,0,1,0,0,0|2,0,0]=3 127 B7R0.3 CCCCC(=O)OC M108214 [0,0,1,0,0,0|2,0,0]=3 128 B7R0.3 CCCCC(C=C)O H589251 [0,0,1,0,0,0|1,0,2]=4 129 B7R0.3 CCCNC(=O)C=C N404954 [0,0,1,0,0,0|2,0,0]=3 130 B7R0.3 CCCOC(=O)CC P111531 [0,0,1,0,0,0|2,0,1]=4 131 B7R0.3 CCCOC(=O)CC P111532 [0,0,1,0,0,0|2,0,1]=4 132 B7R0.3 COC(=O)CCCBr M158832 [0,0,1,0,0,0|3,0,0]=4 133 B7R0.3 COC(=O)CCCBr M492178 [0,0,1,0,0,0|3,0,0]=4 134 B7R0.3 COC(=O)CCCCl C108118 [0,0,1,0,0,0|3,0,0]=4 135 B7R0.3 COC(=O)CCCI M167258 [0,0,1,0,0,0|3,0,0]=4 136 B7R0.3 COC(=O)CCCN M124081 [0,0,1,0,0,0|3,0,0]=4 137 B7R0.3 COC(=O)CCSC M302466 [0,0,1,0,0,0|3,0,0]=4 138 B7R0.3 COCCC(=O)OC M134953 [0,0,1,0,0,0|3,0,0]=4 139 B7R0.10 C(C(=O)C(=O)CBr)Br D171251 [0,0,1,0,0,0|2,0,0]=3 140 B7R0.10 CC(C(=O)OC)NC S587983 [0,0,1,0,0,0|3,0,0]=4 141 B7R0.10 CC(CBr)C(=O)OC M158847 [0,0,1,0,0,0|3,0,0]=4 142 B7R0.10 CC(CBr)C(=O)OC M409449 [0,0,1,0,0,0|3,0,0]=4 143 B7R0.10 CC(CO)C(=O)OC M589106 [0,0,1,0,0,0|3,0,0]=4 144 B7R0.10 CC(CO)C(=O)OC R136025 [0,0,1,0,0,0|3,0,0]=4 145 B7R0.10 CC(CO)C(=O)OC S133601 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.10 CC=C(C)C(=O)OC M158196 [0,0,1,0,0,0|2,0,1]=4 147 B7R0.10 CCC(=O)C(=O)CC H102539 [0,0,1,0,0,0|0,0,0]=1 148 B7R0.10 CCC(=O)N(C)OC N404710 [0,0,1,0,0,0|3,0,0]=4 149 B7R0.10 CCC(C(=O)CC)O P121219 [0,0,1,0,0,0|0,0,2]=3 150 B7R0.10 CCC(C(=O)OC)Br M110203 [0,0,1,0,0,0|2,0,1]=4 151 B7R0.10 CCC(C(=O)OC)N D134538 [0,0,1,0,0,0|2,0,1]=4 152 B7R0.10 CCC(C(=O)OC)N S304011 [0,0,1,0,0,0|2,0,1]=4 153 B7R0.10 CCC(C(=O)OC)O M588620 [0,0,1,0,0,0|1,0,2]=4 154 B7R0.10 CCC(C(=O)OC)O M590030 [0,0,1,0,0,0|1,0,2]=4 155 B7R0.10 CCC(C(=O)OC)O R590029 [0,0,1,0,0,0|1,0,2]=4 156 B7R0.10 CCC(C)C(=O)OC M157989 [0,0,1,0,0,0|2,0,0]=3 157 B7R0.10 CNC(=O)C(=O)NC I171177 [0,0,1,0,0,0|2,0,0]=3 158 B7R0.10 COC(=O)C(=C)CBr M138825 [0,0,1,0,0,0|3,0,0]=4 159 B7R0.10 COC(=O)C(=C)CO M167537 [0,0,1,0,0,0|3,0,0]=4 160 B7R0.10 COC(=O)C(=O)CBr M572938 [0,0,1,0,0,0|2,0,0]=3 161 B7R0.10 COC(=O)C(=O)OC D103008 [0,0,1,0,0,0|2,0,0]=3 162 B7R0.10 COC(=O)C(=O)OC D103009 [0,0,1,0,0,0|2,0,0]=3 163 B7R0.16 CC(C)C(=O)C(=O)O M194936 [0,0,1,0,0,0|1,0,0]=2 164 B7R0.16 CC(C)C(=O)C(=O)O M425860 [0,0,1,0,0,0|1,0,0]=2 165 B7R0.16 CC(C)C(=O)C(=O)[O-] C405686 [0,0,1,0,0,0|1,0,0]=2 166 B7R0.16 CC(C)C(=O)C(=O)[O-] K474034 [0,0,1,0,0,0|1,0,0]=2 167 B7R0.16 CC(C)C(=O)C(=O)[O-] S169975 [0,0,1,0,0,0|1,0,0]=2 168 B7R0.16 CC(C)C(=O)C(C)C D111802 [0,0,1,0,0,0|1,0,1]=3 169 B7R0.16 CC(C)C(=O)N(C)C N159316 [0,0,1,0,0,0|2,0,0]=3 170 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,0,1,0,0,0|2,0,1]=4 171 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,0,1,0,0,0|2,0,1]=4 172 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,0,1,0,0,0|2,0,1]=4 173 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,0,1,0,0,0|2,0,1]=4 174 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,0,1,0,0,0|2,0,1]=4 175 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,0,1,0,0,0|2,0,1]=4 176 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,0,1,0,0,0|2,0,1]=4 177 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,0,1,0,0,0|2,0,1]=4 178 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,0,1,0,0,0|2,0,1]=4 179 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,0,1,0,0,0|2,0,1]=4 180 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,0,1,0,0,0|1,0,2]=4 181 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,0,1,0,0,0|1,0,2]=4 182 B7R0.16 CN(C)C(=O)N(C)C T110881 [0,0,1,0,0,0|3,0,0]=4 183 B7R0.16 CN(C)C(=O)N(C)C T110882 [0,0,1,0,0,0|3,0,0]=4 184 B7R0.16 CN(C)C(=O)N(C)C T110883 [0,0,1,0,0,0|3,0,0]=4 185 B9R1.3 CC1CCCC(C1=O)C D154369 [0,0,0,0,0,1|1,0,1]=3 186 B9R1.3 CN1CCCN(C1=O)C D106284 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.69 C1C(=O)C(=O)NC(=O)N1 I157562 [0,0,0,0,0,1|2,0,1]=4 188 B9R1.69 C1CC(=O)NC(=O)C1Br B589701 [0,0,0,0,0,1|1,0,0]=2 189 B9R1.69 C1CC(=O)NC(=O)C1N A175882 [0,0,0,0,0,1|1,0,0]=2 190 B9R1.69 C1CC(=O)NC(=O)C1N A303287 [0,0,0,0,0,1|1,0,0]=2 191 B9R1.69 C1CC(=O)NC(=O)C1N A588312 [0,0,0,0,0,1|1,0,0]=2 192 B9R1.69 C1CC(=O)NC(=O)C1N S588414 [0,0,0,0,0,1|1,0,0]=2 193 B9R1.69 CC1=CNC(=O)NC1=O T108391 [0,0,0,0,0,1|1,0,2]=4 194 B9R1.69 CC1=CNC(=O)NC1=O T108392 [0,0,0,0,0,1|1,0,2]=4 195 B9R1.69 CC1=CNC(=O)NC1=O T425316 [0,0,0,0,0,1|1,0,2]=4 196 B9R1.69 CC1=NNC(=O)NC1=O A151412 [0,0,0,0,0,1|2,0,1]=4 197 B9R1.69 CC1CCC(=O)CC1C D154364 [0,0,0,0,0,1|1,0,1]=3 198 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,0,0,0,0,1|1,0,1]=3 199 B9R1.69 CC1CN(CCC1=O)C D154313 [0,0,0,0,0,1|2,0,1]=4 200 B9R1.69 CC1CNC(=O)NC1=O D304423 [0,0,0,0,0,1|1,0,0]=2 201 B9R1.69 CC1CNC(=O)NC1=O D425573 [0,0,0,0,0,1|1,0,0]=2 202 B6R0.1 CC(CC=O)SC M102934 [1,0,1,0,0,0|1,0,1]=4 203 B6R0.1 CC=CC(=O)OC M109486 [1,0,1,0,0,0|1,0,1]=4 204 B6R0.1 CCC(=O)C=CC E404567 [1,0,1,0,0,0|0,0,1]=3 205 B6R0.1 CCC(=O)C=CC H111425 [1,0,1,0,0,0|0,0,1]=3 206 B6R0.1 CCC(=O)OCC E103457 [1,0,1,0,0,0|1,0,0]=3 207 B6R0.1 CCC(=O)OCC E103458 [1,0,1,0,0,0|1,0,0]=3 208 B6R0.1 CCC(=O)OCC E103459 [1,0,1,0,0,0|1,0,0]=3 209 B6R0.1 CCC(=O)OCC E103460 [1,0,1,0,0,0|1,0,0]=3 210 B6R0.1 CCC(=O)OCC E278958 [1,0,1,0,0,0|1,0,0]=3 211 B6R0.1 CCC(=O)SCC S133123 [1,0,1,0,0,0|1,0,0]=3 212 B6R0.1 CCC=C(C)C=O M102187 [1,0,1,0,0,0|1,0,1]=4 213 B6R0.1 CCCC(=O)CC H106710 [1,0,1,0,0,0|0,0,1]=3 214 B6R0.1 CCCC(=O)NN B183968 [1,0,1,0,0,0|2,0,0]=4 215 B6R0.1 CCCC(=O)OC M100038 [1,0,1,0,0,0|1,0,1]=4 216 B6R0.1 CCCC(=O)OC M100039 [1,0,1,0,0,0|1,0,1]=4 217 B6R0.1 CCCC(=O)OC M100040 [1,0,1,0,0,0|1,0,1]=4 218 B6R0.1 CCCC(=O)SC M102997 [1,0,1,0,0,0|1,0,1]=4 219 B6R0.1 CCCC(C)C=O M158691 [1,0,1,0,0,0|0,0,1]=3 220 B6R0.1 CCNC(=O)C=C N136947 [1,0,1,0,0,0|2,0,0]=4 221 B6R0.1 CCOC(=O)C=C E112943 [1,0,1,0,0,0|2,0,0]=4 222 B6R0.1 CCOC(=O)C=C E112944 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.1 CCOC(=O)C=C E112945 [1,0,1,0,0,0|2,0,0]=4 224 B6R0.1 CCOC(=O)C=C E465763 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.1 CCOC(=O)C=O E106246 [1,0,1,0,0,0|1,0,0]=3 226 B6R0.1 CCOC(=O)CBr E106090 [1,0,1,0,0,0|2,0,0]=4 227 B6R0.1 CCOC(=O)CCl E105166 [1,0,1,0,0,0|2,0,0]=4 228 B6R0.1 CCOC(=O)CCl E105167 [1,0,1,0,0,0|2,0,0]=4 229 B6R0.1 CCOC(=O)CF E107563 [1,0,1,0,0,0|2,0,0]=4 230 B6R0.1 CCOC(=O)CN G105477 [1,0,1,0,0,0|2,0,0]=4 231 B6R0.1 CCOC(=O)CO E101730 [1,0,1,0,0,0|2,0,0]=4 232 B6R0.1 CCOC(=O)CS E109439 [1,0,1,0,0,0|2,0,0]=4 233 B6R0.1 CCOC(=O)OC E110111 [1,0,1,0,0,0|2,0,0]=4 234 B6R0.1 CCOC(=O)OC E433135 [1,0,1,0,0,0|2,0,0]=4 235 B6R0.4 C(CC(=O)Cl)CBr B102197 [1,0,1,0,0,0|2,0,0]=4 236 B6R0.4 C(CC(=O)Cl)CCl C109449 [1,0,1,0,0,0|2,0,0]=4 237 B6R0.4 C(CC(=O)N)CCl C168978 [1,0,1,0,0,0|2,0,0]=4 238 B6R0.4 C(CC(=O)O)CBr B106907 [1,0,1,0,0,0|1,0,1]=4 239 B6R0.4 C(CC(=O)O)CCl C134513 [1,0,1,0,0,0|1,0,1]=4 240 B6R0.4 C(CC(=O)O)CN A104200 [1,0,1,0,0,0|1,0,1]=4 241 B6R0.4 C(CC(=O)O)CN A293557 [1,0,1,0,0,0|1,0,1]=4 242 B6R0.4 C(CC(=O)O)CN A424756 [1,0,1,0,0,0|1,0,1]=4 243 B6R0.4 C(CC(=O)O)CN A468499 [1,0,1,0,0,0|1,0,1]=4 244 B6R0.4 C(CC(=O)O)CN A472038 [1,0,1,0,0,0|1,0,1]=4 245 B6R0.4 C(CC(=O)O)CN G276591 [1,0,1,0,0,0|1,0,1]=4 246 B6R0.4 CC(=O)CCC=C H113634 [1,0,1,0,0,0|1,0,1]=4 247 B6R0.4 CC(=O)CCCBr B345087 [1,0,1,0,0,0|1,0,1]=4 248 B6R0.4 CC(=O)CCCCl C108070 [1,0,1,0,0,0|1,0,1]=4 249 B6R0.4 CC(=O)CCSC M135087 [1,0,1,0,0,0|1,0,1]=4 250 B6R0.4 CC(C)CCC=O M586390 [1,0,1,0,0,0|0,0,1]=3 251 B6R0.4 CC(C)COC=O I141415 [1,0,1,0,0,0|1,0,1]=4 252 B6R0.4 CC(C)COC=O I432878 [1,0,1,0,0,0|1,0,1]=4 253 B6R0.4 CCCCC(=N)N D305243 [1,0,1,0,0,0|2,0,0]=4 254 B6R0.4 CCCCC(=O)Br V162931 [1,0,1,0,0,0|1,0,0]=3 255 B6R0.4 CCCCC(=O)C H105743 [1,0,1,0,0,0|0,0,1]=3 256 B6R0.4 CCCCC(=O)C H105744 [1,0,1,0,0,0|0,0,1]=3 257 B6R0.4 CCCCC(=O)C H111491 [1,0,1,0,0,0|0,0,1]=3 258 B6R0.4 CCCCC(=O)C H141140 [1,0,1,0,0,0|0,0,1]=3 259 B6R0.4 CCCCC(=O)Cl V107241 [1,0,1,0,0,0|1,0,0]=3 260 B6R0.4 CCCCC(=O)N V162967 [1,0,1,0,0,0|1,0,0]=3 261 B6R0.4 CCCCC(=O)O V108269 [1,0,1,0,0,0|0,0,1]=3 262 B6R0.4 CCCCC(=O)O V108270 [1,0,1,0,0,0|0,0,1]=3 263 B6R0.4 CCCCC(=O)O V108271 [1,0,1,0,0,0|0,0,1]=3 264 B6R0.4 CCCCC(=O)O V108272 [1,0,1,0,0,0|0,0,1]=3 265 B6R0.4 CCCCC(=O)O V302252 [1,0,1,0,0,0|0,0,1]=3 266 B6R0.4 CCCCC(=O)[O-] S194180 [1,0,1,0,0,0|0,0,1]=3 267 B6R0.4 CCCC[N+](=O)[O-] N300420 [1,0,1,0,0,0|1,0,1]=4 268 B6R0.4 CCCC[Sn](=O)O M107696 [1,0,1,0,0,0|1,0,1]=4 269 B6R0.4 CCCNC(=O)N P589707 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.4 CCCOC(=O)C P103882 [1,0,1,0,0,0|1,0,1]=4 271 B6R0.4 CCCOC(=O)C P103883 [1,0,1,0,0,0|1,0,1]=4 272 B6R0.4 CCCOC(=O)N P194271 [1,0,1,0,0,0|2,0,0]=4 273 B6R0.4 CCCSC(=O)C S161333 [1,0,1,0,0,0|1,0,1]=4 274 B6R0.4 CCNCC(=O)O N159193 [1,0,1,0,0,0|1,0,1]=4 275 B6R0.4 CCOCC(=O)Cl E293992 [1,0,1,0,0,0|2,0,0]=4 276 B6R0.4 CCOCC(=O)O E156174 [1,0,1,0,0,0|1,0,1]=4 277 B6R0.4 CCSCC(=O)O E300419 [1,0,1,0,0,0|1,0,1]=4 278 B6R0.4 CNCCC(=O)O M183299 [1,0,1,0,0,0|1,0,1]=4 279 B6R0.4 COCCC(=O)O M169065 [1,0,1,0,0,0|1,0,1]=4 280 B6R0.4 CSCCC(=O)Cl M158416 [1,0,1,0,0,0|2,0,0]=4 281 B6R0.4 CSCCC(=O)O M158072 [1,0,1,0,0,0|1,0,1]=4 282 B6R0.6 C(CC=O)CC=O G105905 [1,0,1,0,0,0|0,0,0]=2 283 B6R0.6 C(CC=O)CC=O G105906 [1,0,1,0,0,0|0,0,0]=2 284 B6R0.6 C(CC=O)CC=O G105907 [1,0,1,0,0,0|0,0,0]=2 285 B6R0.6 C(CC=O)CC=O G105908 [1,0,1,0,0,0|0,0,0]=2 286 B6R0.6 C(CC=O)CC=O G359127 [1,0,1,0,0,0|0,0,0]=2 287 B6R0.6 C(CC=O)CC=O G598815 [1,0,1,0,0,0|0,0,0]=2 288 B6R0.6 C(CC=O)CC=O G639768 [1,0,1,0,0,0|0,0,0]=2 289 B6R0.6 C(NC=O)NC=O N159403 [1,0,1,0,0,0|2,0,0]=4 290 B6R0.6 C=CCCCC=C H157269 [1,0,1,0,0,0|2,0,0]=4 291 B6R0.6 CC=CCCCO H300983 [1,0,1,0,0,0|2,0,0]=4 292 B6R0.6 CCCC=CC=O H107633 [1,0,1,0,0,0|0,0,1]=3 293 B6R0.6 CCCC=CC=O T425385 [1,0,1,0,0,0|0,0,1]=3 294 B6R0.6 CCCCCC=C H110653 [1,0,1,0,0,0|1,0,1]=4 295 B6R0.6 CCCCCC=C H110654 [1,0,1,0,0,0|1,0,1]=4 296 B6R0.6 CCCCCC=C H110655 [1,0,1,0,0,0|1,0,1]=4 297 B6R0.6 CCCCCC=O C109199 [1,0,1,0,0,0|0,0,1]=3 298 B6R0.6 CCCCCC=O C109200 [1,0,1,0,0,0|0,0,1]=3 299 B6R0.6 CCCCOC=C B123186 [1,0,1,0,0,0|2,0,0]=4 300 B6R0.6 CCCCOC=C B123187 [1,0,1,0,0,0|2,0,0]=4 301 B6R0.6 CCCCOC=O B109260 [1,0,1,0,0,0|1,0,0]=3 302 B6R0.6 CCCCOC=O B109261 [1,0,1,0,0,0|1,0,0]=3 303 B6R0.6 CCCCON=O B134686 [1,0,1,0,0,0|2,0,0]=4 304 B6R0.3 C(C(=O)C(=O)O)Br B120321 [1,0,1,0,0,0|2,0,0]=4 305 B6R0.3 C(C(=O)C(=O)O)O H276063 [1,0,1,0,0,0|2,0,0]=4 306 B6R0.3 C(C(=O)C(=O)[O-])F F168911 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.3 CC(=C)C(=O)NC N159439 [1,0,1,0,0,0|2,0,0]=4 308 B6R0.3 CC(=C)C(=O)NC N563684 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.3 CC(=C)C(=O)OC M109623 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.3 CC(=C)C(=O)OC M109626 [1,0,1,0,0,0|2,0,0]=4 311 B6R0.3 CC(=C)C(=O)OC M109629 [1,0,1,0,0,0|2,0,0]=4 312 B6R0.3 CC(=C)C(=O)OC P141442 [1,0,1,0,0,0|2,0,0]=4 313 B6R0.3 CC(=C)C(=O)OC P141443 [1,0,1,0,0,0|2,0,0]=4 314 B6R0.3 CC(=C)C(=O)OC P141444 [1,0,1,0,0,0|2,0,0]=4 315 B6R0.3 CC(=C)C(=O)OC P434521 [1,0,1,0,0,0|2,0,0]=4 316 B6R0.3 CC(=C)C(=O)OC P434523 [1,0,1,0,0,0|2,0,0]=4 317 B6R0.3 CC(=C)C(=O)OC P434524 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.3 CC(=C)C(=O)OC P478276 [1,0,1,0,0,0|2,0,0]=4 319 B6R0.3 CC(=C)C(=O)OC P598682 [1,0,1,0,0,0|2,0,0]=4 320 B6R0.3 CC(=O)C(=O)CBr B185016 [1,0,1,0,0,0|1,0,0]=3 321 B6R0.3 CC(=O)C(=O)OC M136953 [1,0,1,0,0,0|1,0,0]=3 322 B6R0.3 CC(C(=O)NC)N L354750 [1,0,1,0,0,0|2,0,0]=4 323 B6R0.3 CC(C(=O)O)NC I133832 [1,0,1,0,0,0|1,0,1]=4 324 B6R0.3 CC(C(=O)O)NC I135858 [1,0,1,0,0,0|1,0,1]=4 325 B6R0.3 CC(C(=O)O)NC N303350 [1,0,1,0,0,0|1,0,1]=4 326 B6R0.3 CC(C(=O)O)OC M193402 [1,0,1,0,0,0|1,0,1]=4 327 B6R0.3 CC(C(=O)O)OC P477810 [1,0,1,0,0,0|1,0,1]=4 328 B6R0.3 CC(C(=O)OC)Br M117975 [1,0,1,0,0,0|2,0,0]=4 329 B6R0.3 CC(C(=O)OC)Cl M102467 [1,0,1,0,0,0|2,0,0]=4 330 B6R0.3 CC(C(=O)OC)Cl M110142 [1,0,1,0,0,0|2,0,0]=4 331 B6R0.3 CC(C(=O)OC)Cl M158574 [1,0,1,0,0,0|2,0,0]=4 332 B6R0.3 CC(C(=O)OC)N A100771 [1,0,1,0,0,0|2,0,0]=4 333 B6R0.3 CC(C(=O)OC)N A100815 [1,0,1,0,0,0|2,0,0]=4 334 B6R0.3 CC(C(=O)OC)N A116955 [1,0,1,0,0,0|2,0,0]=4 335 B6R0.3 CC(C(=O)OC)O M132799 [1,0,1,0,0,0|2,0,0]=4 336 B6R0.3 CC(C(=O)OC)O M158257 [1,0,1,0,0,0|2,0,0]=4 337 B6R0.3 CC(C(=O)OC)O M158854 [1,0,1,0,0,0|2,0,0]=4 338 B6R0.3 CC(C)C(=O)OC M100041 [1,0,1,0,0,0|1,0,0]=3 339 B6R0.3 CC(CBr)C(=O)O B135992 [1,0,1,0,0,0|1,0,1]=4 340 B6R0.3 CC(CN)C(=O)O D131745 [1,0,1,0,0,0|1,0,1]=4 341 B6R0.3 CC(CN)C(=O)O R340811 [1,0,1,0,0,0|1,0,1]=4 342 B6R0.3 CC(CN)C(=O)O S340803 [1,0,1,0,0,0|1,0,1]=4 343 B6R0.3 CC(CO)C(=O)O R343446 [1,0,1,0,0,0|1,0,1]=4 344 B6R0.3 CC(CS)C(=O)O M158216 [1,0,1,0,0,0|1,0,1]=4 345 B6R0.3 CC=C(C)C(=O)C M158812 [1,0,1,0,0,0|1,0,1]=4 346 B6R0.3 CC=C(C)C(=O)C M401547 [1,0,1,0,0,0|1,0,1]=4 347 B6R0.3 CC=C(C)C(C)C C153480 [1,0,1,0,0,0|1,0,0]=3 348 B6R0.3 CCC(=C)C(=O)O E477290 [1,0,1,0,0,0|2,0,0]=4 349 B6R0.3 CCC(=O)C(=O)C P106293 [1,0,1,0,0,0|0,0,0]=2 350 B6R0.3 CCC(=O)C(=O)O K106253 [1,0,1,0,0,0|1,0,0]=3 351 B6R0.3 CCC(=O)C(=O)[O-] S161412 [1,0,1,0,0,0|1,0,0]=3 352 B6R0.3 CCC(=O)C(C)C M158840 [1,0,1,0,0,0|0,0,1]=3 353 B6R0.3 CCC(=O)N(C)C D128096 [1,0,1,0,0,0|1,0,1]=4 354 B6R0.3 CCC(C(=O)Br)Br B135808 [1,0,1,0,0,0|2,0,0]=4 355 B6R0.3 CCC(C(=O)C)S M102973 [1,0,1,0,0,0|0,1,1]=4 356 B6R0.3 CCC(C(=O)Cl)Br B192121 [1,0,1,0,0,0|2,0,0]=4 357 B6R0.3 CCC(C(=O)Cl)Cl C139250 [1,0,1,0,0,0|2,0,0]=4 358 B6R0.3 CCC(C(=O)N)Cl B301389 [1,0,1,0,0,0|2,0,0]=4 359 B6R0.3 CCC(C(=O)N)N A119770 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.3 CCC(C(=O)N)N A124384 [1,0,1,0,0,0|2,0,0]=4 361 B6R0.3 CCC(C(=O)O)Br B108037 [1,0,1,0,0,0|1,0,1]=4 362 B6R0.3 CCC(C(=O)O)Cl C153465 [1,0,1,0,0,0|1,0,1]=4 363 B6R0.3 CCC(C(=O)O)Cl S161173 [1,0,1,0,0,0|1,0,1]=4 364 B6R0.3 CCC(C(=O)O)N A109788 [1,0,1,0,0,0|1,0,1]=4 365 B6R0.3 CCC(C(=O)O)N A111241 [1,0,1,0,0,0|1,0,1]=4 366 B6R0.3 CCC(C(=O)O)N A111260 [1,0,1,0,0,0|1,0,1]=4 367 B6R0.3 CCC(C(=O)O)N A414642 [1,0,1,0,0,0|1,0,1]=4 368 B6R0.3 CCC(C(=O)O)N D422924 [1,0,1,0,0,0|1,0,1]=4 369 B6R0.3 CCC(C(=O)O)O D298806 [1,0,1,0,0,0|1,0,1]=4 370 B6R0.3 CCC(C(=O)O)O S192800 [1,0,1,0,0,0|1,0,1]=4 371 B6R0.3 CCC(C(=O)[O-])O H101414 [1,0,1,0,0,0|1,0,1]=4 372 B6R0.3 CCC(C)C(=O)C M158800 [1,0,1,0,0,0|0,0,1]=3 373 B6R0.3 CCC(C)C(=O)O I167890 [1,0,1,0,0,0|0,0,1]=3 374 B6R0.3 CCC(C)C(=O)O M107377 [1,0,1,0,0,0|0,0,1]=3 375 B6R0.3 CCN(C)C(=O)C N193140 [1,0,1,0,0,0|1,0,1]=4 376 B6R0.3 CCN(C)C(=O)Cl N159123 [1,0,1,0,0,0|2,0,0]=4 377 B6R0.3 CN(C)C(=O)C=C N159036 [1,0,1,0,0,0|1,0,1]=4 378 B6R0.3 CNC(=O)C(=O)O M588605 [1,0,1,0,0,0|2,0,0]=4 379 B6R0.3 CNC(=O)N(C)C T348049 [1,0,1,0,0,0|2,0,0]=4 380 B6R0.3 COC(=O)C(=O)Cl M111140 [1,0,1,0,0,0|2,0,0]=4 381 B6R0.2 CC(=CC(=O)C)C M105926 [1,0,1,0,0,0|0,0,1]=3 382 B6R0.2 CC(=CC(=O)C)C M105927 [1,0,1,0,0,0|0,0,1]=3 383 B6R0.2 CC(=CC(=O)C)C M105928 [1,0,1,0,0,0|0,0,1]=3 384 B6R0.2 CC(=CC(=O)C)N F156686 [1,0,1,0,0,0|1,0,1]=4 385 B6R0.2 CC(=CC(=O)C)O A118525 [1,0,1,0,0,0|1,0,1]=4 386 B6R0.2 CC(=CC(=O)C)O A118538 [1,0,1,0,0,0|1,0,1]=4 387 B6R0.2 CC(=CC(=O)C)O A579873 [1,0,1,0,0,0|1,0,1]=4 388 B6R0.2 CC(=CC(=O)C)O B152272 [1,0,1,0,0,0|1,0,1]=4 389 B6R0.2 CC(=CC(=O)C)O C109323 [1,0,1,0,0,0|1,0,1]=4 390 B6R0.2 CC(=CC(=O)C)O C140817 [1,0,1,0,0,0|1,0,1]=4 391 B6R0.2 CC(=CC(=O)C)O C283471 [1,0,1,0,0,0|1,0,1]=4 392 B6R0.2 CC(=CC(=O)C)O C486854 [1,0,1,0,0,0|1,0,1]=4 393 B6R0.2 CC(=CC(=O)C)O D302912 [1,0,1,0,0,0|1,0,1]=4 394 B6R0.2 CC(=CC(=O)C)O E302901 [1,0,1,0,0,0|1,0,1]=4 395 B6R0.2 CC(=CC(=O)C)O E347622 [1,0,1,0,0,0|1,0,1]=4 396 B6R0.2 CC(=CC(=O)C)O G304265 [1,0,1,0,0,0|1,0,1]=4 397 B6R0.2 CC(=CC(=O)C)O H107857 [1,0,1,0,0,0|1,0,1]=4 398 B6R0.2 CC(=CC(=O)C)O I138305 [1,0,1,0,0,0|1,0,1]=4 399 B6R0.2 CC(=CC(=O)C)O I294571 [1,0,1,0,0,0|1,0,1]=4 400 B6R0.2 CC(=CC(=O)C)O M106182 [1,0,1,0,0,0|1,0,1]=4 401 B6R0.2 CC(=CC(=O)C)O P101065 [1,0,1,0,0,0|1,0,1]=4 402 B6R0.2 CC(=CC(=O)C)O P119025 [1,0,1,0,0,0|1,0,1]=4 403 B6R0.2 CC(=CC(=O)C)O P119026 [1,0,1,0,0,0|1,0,1]=4 404 B6R0.2 CC(=CC(=O)C)O P293928 [1,0,1,0,0,0|1,0,1]=4 405 B6R0.2 CC(=CC(=O)C)O R118502 [1,0,1,0,0,0|1,0,1]=4 406 B6R0.2 CC(=CC(=O)C)O R118539 [1,0,1,0,0,0|1,0,1]=4 407 B6R0.2 CC(=CC(=O)C)O R118540 [1,0,1,0,0,0|1,0,1]=4 408 B6R0.2 CC(=CC(=O)C)O R294372 [1,0,1,0,0,0|1,0,1]=4 409 B6R0.2 CC(=CC(=O)C)O R639975 [1,0,1,0,0,0|1,0,1]=4 410 B6R0.2 CC(=CC(=O)C)O S298504 [1,0,1,0,0,0|1,0,1]=4 411 B6R0.2 CC(=CC(=O)C)O T283063 [1,0,1,0,0,0|1,0,1]=4 412 B6R0.2 CC(=CC(=O)C)O T302818 [1,0,1,0,0,0|1,0,1]=4 413 B6R0.2 CC(=CC(=O)C)O T302908 [1,0,1,0,0,0|1,0,1]=4 414 B6R0.2 CC(=CC(=O)C)O V109324 [1,0,1,0,0,0|1,0,1]=4 415 B6R0.2 CC(=CC(=O)C)O V109325 [1,0,1,0,0,0|1,0,1]=4 416 B6R0.2 CC(=CC(=O)C)O Y191992 [1,0,1,0,0,0|1,0,1]=4 417 B6R0.2 CC(=CC(=O)C)O Y283039 [1,0,1,0,0,0|1,0,1]=4 418 B6R0.2 CC(=CC(=O)C)[O-] B107855 [1,0,1,0,0,0|1,0,1]=4 419 B6R0.2 CC(=CC(=O)C)[O-] B109340 [1,0,1,0,0,0|1,0,1]=4 420 B6R0.2 CC(=CC(=O)C)[O-] B152965 [1,0,1,0,0,0|1,0,1]=4 421 B6R0.2 CC(=CC(=O)C)[O-] B283467 [1,0,1,0,0,0|1,0,1]=4 422 B6R0.2 CC(=CC(=O)C)[O-] C100527 [1,0,1,0,0,0|1,0,1]=4 423 B6R0.2 CC(=CC(=O)C)[O-] C432320 [1,0,1,0,0,0|1,0,1]=4 424 B6R0.2 CC(=CC(=O)C)[O-] H302906 [1,0,1,0,0,0|1,0,1]=4 425 B6R0.2 CC(=CC(=O)C)[O-] I106157 [1,0,1,0,0,0|1,0,1]=4 426 B6R0.2 CC(=CC(=O)C)[O-] L102502 [1,0,1,0,0,0|1,0,1]=4 427 B6R0.2 CC(=CC(=O)C)[O-] M107860 [1,0,1,0,0,0|1,0,1]=4 428 B6R0.2 CC(=CC(=O)C)[O-] N105676 [1,0,1,0,0,0|1,0,1]=4 429 B6R0.2 CC(=CC(=O)C)[O-] N107859 [1,0,1,0,0,0|1,0,1]=4 430 B6R0.2 CC(=CC(=O)C)[O-] N359157 [1,0,1,0,0,0|1,0,1]=4 431 B6R0.2 CC(=CC(=O)C)[O-] S488282 [1,0,1,0,0,0|1,0,1]=4 432 B6R0.2 CC(=CC(=O)C)[O-] T161967 [1,0,1,0,0,0|1,0,1]=4 433 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [1,0,1,0,0,0|1,0,1]=4 434 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [1,0,1,0,0,0|1,0,1]=4 435 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [1,0,1,0,0,0|1,0,1]=4 436 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [1,0,1,0,0,0|1,0,1]=4 437 B6R0.2 CC(=CC(=O)Cl)C D135082 [1,0,1,0,0,0|1,0,1]=4 438 B6R0.2 CC(=CC(=O)O)C D102028 [1,0,1,0,0,0|1,0,1]=4 439 B6R0.2 CC(=O)CN(C)C D167514 [1,0,1,0,0,0|1,0,1]=4 440 B6R0.2 CC(C)C=C(C)C D155423 [1,0,1,0,0,0|1,0,0]=3 441 B6R0.2 CC(C)CC(=O)C M108736 [1,0,1,0,0,0|0,0,1]=3 442 B6R0.2 CC(C)CC(=O)C M108737 [1,0,1,0,0,0|0,0,1]=3 443 B6R0.2 CC(C)CC(=O)C M108738 [1,0,1,0,0,0|0,0,1]=3 444 B6R0.2 CC(C)CC(=O)C M108740 [1,0,1,0,0,0|0,0,1]=3 445 B6R0.2 CC(C)CC(=O)C M108741 [1,0,1,0,0,0|0,0,1]=3 446 B6R0.2 CC(C)CC(=O)C M492092 [1,0,1,0,0,0|0,0,1]=3 447 B6R0.2 CC(C)CC(=O)Cl I157679 [1,0,1,0,0,0|1,0,1]=4 448 B6R0.2 CC(C)CC(=O)O I108280 [1,0,1,0,0,0|1,0,1]=4 449 B6R0.2 CC(C)CC(=O)O I108281 [1,0,1,0,0,0|1,0,1]=4 450 B6R0.2 CC(C)CC(=O)O I424338 [1,0,1,0,0,0|1,0,1]=4 451 B6R0.2 CC(C)CC(=O)O I432771 [1,0,1,0,0,0|1,0,1]=4 452 B6R0.2 CC(C)NC(=O)C N586389 [1,0,1,0,0,0|1,0,0]=3 453 B6R0.2 CC(C)OC(=O)C I103453 [1,0,1,0,0,0|1,0,0]=3 454 B6R0.2 CC(C)OC(=O)C I103454 [1,0,1,0,0,0|1,0,0]=3 455 B6R0.2 CC(C)OC(=O)C I103455 [1,0,1,0,0,0|1,0,0]=3 456 B6R0.2 CC(C)OC(=O)N I157610 [1,0,1,0,0,0|2,0,0]=4 457 B6R0.2 CC(OC(=O)C)Br B303662 [1,0,1,0,0,0|2,0,0]=4 458 B6R1.2 C1C=CC(=O)N1 D344952 [2,0,0,0,0,0|1,0,1]=4 459 B6R1.2 C1C=CC(=O)O1 F107943 [2,0,0,0,0,0|1,0,1]=4 460 B6R1.2 C1C=CC(=O)S1 H472400 [2,0,0,0,0,0|1,0,1]=4 461 B6R1.2 C1CC(=N)SC1 I106793 [2,0,0,0,0,0|2,0,0]=4 462 B6R1.2 C1CC(=N)SC1 I492458 [2,0,0,0,0,0|2,0,0]=4 463 B6R1.2 C1CC(=NC1)N A151483 [2,0,0,0,0,0|2,0,0]=4 464 B6R1.2 C1CC(=O)C=C1 C139450 [2,0,0,0,0,0|0,0,1]=3 465 B6R1.2 C1CC(=O)NC1 P112692 [2,0,0,0,0,0|1,0,0]=3 466 B6R1.2 C1CC(=O)NC1 P468968 [2,0,0,0,0,0|1,0,0]=3 467 B6R1.2 C1CC(=O)SC1 T472178 [2,0,0,0,0,0|1,0,0]=3 468 B6R1.2 C1CCC(=O)C1 C108566 [2,0,0,0,0,0|0,0,1]=3 469 B6R1.2 C1CCC(=O)C1 C108567 [2,0,0,0,0,0|0,0,1]=3 470 B6R1.2 C1CCC(=O)C1 C108568 [2,0,0,0,0,0|0,0,1]=3 471 B6R1.2 C1CCC(=O)C1 C108569 [2,0,0,0,0,0|0,0,1]=3 472 B6R1.2 C1CCS(=O)C1 T162808 [2,0,0,0,0,0|1,0,1]=4 473 B6R1.2 C1CNC(=O)N1 I157588 [2,0,0,0,0,0|2,0,0]=4 474 B6R1.2 C1CNC(=O)N1 I299072 [2,0,0,0,0,0|2,0,0]=4 475 B6R1.2 C1CNCC1=O P176320 [2,0,0,0,0,0|1,0,1]=4 476 B6R1.2 C1COC(=O)N1 O133460 [2,0,0,0,0,0|2,0,0]=4 477 B6R1.2 C1COC(=O)O1 E105727 [2,0,0,0,0,0|2,0,0]=4 478 B6R1.2 C1COC(=O)O1 E105728 [2,0,0,0,0,0|2,0,0]=4 479 B6R1.2 C1COCC1=O T161567 [2,0,0,0,0,0|1,0,1]=4 480 B6R1.2 C1CSC(=O)N1 T192435 [2,0,0,0,0,0|2,0,0]=4 481 B6R1.2 C1CSCC1=O D106839 [2,0,0,0,0,0|1,0,1]=4 482 B6R1.2 C=C1CCCC1 M158228 [2,0,0,0,0,0|1,0,1]=4 483 B6R1.2 CC1=CCCC1 M158230 [2,0,0,0,0,0|1,0,0]=3 484 B6R1.2 CC1=NCCC1 M187405 [2,0,0,0,0,0|2,0,0]=4 485 B6R1.2 CC1CCCC1 M101586 [2,0,0,0,0,0|0,0,2]=4 486 B6R1.2 CC1CCCC1 M101587 [2,0,0,0,0,0|0,0,2]=4 487 B6R1.2 CC1CCCC1 M101588 [2,0,0,0,0,0|0,0,2]=4 488 B6R1.2 CC1CCCN1 M121645 [2,0,0,0,0,0|1,0,1]=4 489 B6R1.2 CC1CCCN1 M341863 [2,0,0,0,0,0|1,0,1]=4 490 B6R1.2 CC1CCCN1 R173510 [2,0,0,0,0,0|1,0,1]=4 491 B6R1.2 CC1CCCN1 S589595 [2,0,0,0,0,0|1,0,1]=4 492 B6R1.2 CC1CCCO1 M106688 [2,0,0,0,0,0|1,0,1]=4 493 B6R1.2 CC1CCCO1 M106689 [2,0,0,0,0,0|1,0,1]=4 494 B6R1.2 CC1CCCO1 M119683 [2,0,0,0,0,0|1,0,1]=4 495 B6R1.2 CC1CCCO1 M298963 [2,0,0,0,0,0|1,0,1]=4 496 B6R1.2 CC1CCCS1 M138391 [2,0,0,0,0,0|1,0,1]=4 497 B6R1.2 CC1CCNC1 S175305 [2,0,0,0,0,0|1,0,1]=4 498 B6R1.2 CC1CCOC1 M302425 [2,0,0,0,0,0|1,0,1]=4 499 B8R0.1 CCCCC(=O)C=CC O160046 [0,1,1,0,0,0|1,0,0]=3 500 B8R0.1 CCCCC(=O)CCC O160045 [0,1,1,0,0,0|1,0,1]=4 501 B8R0.1 CCCCC(=O)OCC E105293 [0,1,1,0,0,0|1,0,1]=4 502 B8R0.1 CCCCC(=O)OCC E105294 [0,1,1,0,0,0|1,0,1]=4 503 B8R0.1 CCCCC(=O)OCC E118465 [0,1,1,0,0,0|1,0,1]=4 504 B8R0.3 CCCC(C(=O)NO)N B300173 [0,1,1,0,0,0|1,0,1]=4 505 B8R0.3 CCCC(C)C(=O)OC B300583 [0,1,1,0,0,0|2,0,0]=4 506 B8R0.6 CCCCCC(=O)C=C O160047 [0,1,1,0,0,0|1,0,0]=3 507 B8R0.6 CCCCCC(=O)CC O106928 [0,1,1,0,0,0|1,0,1]=4 508 B8R0.6 CCCCCC(=O)CC O106929 [0,1,1,0,0,0|1,0,1]=4 509 B8R0.6 CCCCCC(=O)OC M112312 [0,1,1,0,0,0|2,0,0]=4 510 B8R0.6 CCCCCC(=O)OC M112313 [0,1,1,0,0,0|2,0,0]=4 511 B8R0.6 CCCCCC(=O)OC M112314 [0,1,1,0,0,0|2,0,0]=4 512 B8R0.6 CCCCNC(=O)C=C N405436 [0,1,1,0,0,0|1,0,0]=3 513 B8R0.6 CCCCNC(=O)CCl N193799 [0,1,1,0,0,0|1,0,1]=4 514 B8R0.6 CCCCOC(=O)C=C B100034 [0,1,1,0,0,0|1,0,0]=3 515 B8R0.6 CCCCOC(=O)C=C B100035 [0,1,1,0,0,0|1,0,0]=3 516 B8R0.6 CCCCOC(=O)C=C B100036 [0,1,1,0,0,0|1,0,0]=3 517 B8R0.6 CCCCOC(=O)C=C B100037 [0,1,1,0,0,0|1,0,0]=3 518 B8R0.6 CCCCOC(=O)CC B152863 [0,1,1,0,0,0|1,0,1]=4 519 B8R0.6 CCCCOC(=O)CCl B152888 [0,1,1,0,0,0|1,0,1]=4 520 B8R0.6 CCCCOC(=O)CO B134012 [0,1,1,0,0,0|0,0,2]=4 521 B8R0.6 CCCCOC(=O)CO B493056 [0,1,1,0,0,0|0,0,2]=4 522 B8R0.6 CCCCOC(=O)CS B152740 [0,1,1,0,0,0|0,1,1]=4 523 B8R0.6 COC(=O)CCCCBr M157983 [0,1,1,0,0,0|2,0,0]=4 524 B8R0.6 COC(=O)CCCCCl M167259 [0,1,1,0,0,0|2,0,0]=4 525 B8R0.6 COCCOC(=O)C=C E102687 [0,1,1,0,0,0|2,0,0]=4 526 B8R0.6 COCCOC(=O)C=C P133111 [0,1,1,0,0,0|2,0,0]=4 527 B8R0.6 COCCOC(=O)C=C P133370 [0,1,1,0,0,0|2,0,0]=4 528 B8R0.6 COCCOC(=O)C=C P136232 [0,1,1,0,0,0|2,0,0]=4 529 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,1,1,0,0,0|0,0,0]=2 530 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [0,1,1,0,0,0|0,0,0]=2 531 B8R0.8 CCCCC(=O)C(C)C M158862 [0,1,1,0,0,0|1,0,1]=4 532 B8R0.8 CCCCC(C(=O)O)Br B152316 [0,1,1,0,0,0|1,0,1]=4 533 B8R0.8 CCCCC(C(=O)O)N L485252 [0,1,1,0,0,0|1,0,1]=4 534 B8R0.8 CCCCC(C(=O)O)N N105991 [0,1,1,0,0,0|1,0,1]=4 535 B8R0.8 CCCCC(C(=O)O)N N109230 [0,1,1,0,0,0|1,0,1]=4 536 B8R0.8 CCCCC(C(=O)O)N S136235 [0,1,1,0,0,0|1,0,1]=4 537 B8R0.8 CCCCC(C(=O)O)O H300379 [0,1,1,0,0,0|0,0,2]=4 538 B8R0.8 CCCCC(C(=O)O)O H425022 [0,1,1,0,0,0|0,0,2]=4 539 B8R0.8 CCCCC(C)C(=O)O M158388 [0,1,1,0,0,0|1,0,1]=4 540 B8R0.8 CCCCC(C)C(=O)O M424064 [0,1,1,0,0,0|1,0,1]=4 541 B8R0.8 CCCOC(=O)C(=C)C N338922 [0,1,1,0,0,0|2,0,0]=4 542 B8R0.9 C=CC(CCC(=O)O)N V136673 [0,1,1,0,0,0|2,0,0]=4 543 B8R0.9 CC(C)CCC(=O)OC M464241 [0,1,1,0,0,0|2,0,0]=4 544 B8R0.9 CC(C)COC(=O)C=C I111441 [0,1,1,0,0,0|2,0,0]=4 545 B8R0.9 CC(COC(=O)C=C)O H100855 [0,1,1,0,0,0|2,0,0]=4 546 B8R0.9 CCC(C)CCC(=O)O M138303 [0,1,1,0,0,0|1,0,1]=4 547 B8R0.11 CCCC=C(CC)C=O E156033 [0,1,1,0,0,0|1,0,1]=4 548 B8R0.11 CCCCC(CC)C=O E156034 [0,1,1,0,0,0|1,0,1]=4 549 B8R0.19 CCC(C)CC(=O)CC M158857 [0,1,1,0,0,0|1,0,1]=4 550 B8R0.19 CCC(CC(=O)OC)O M465384 [0,1,1,0,0,0|2,0,0]=4 551 B8R0.2 CCC(C)C(=O)C(=O)O M158380 [0,1,1,0,0,0|0,0,0]=2 552 B8R0.2 CCC(C)C(=O)C(=O)[O-] C154025 [0,1,1,0,0,0|0,0,0]=2 553 B8R0.2 CCC(C)C(C(=O)N)N I110996 [0,1,1,0,0,0|1,0,1]=4 554 B8R0.2 CCC(C)C(C(=O)O)N D465658 [0,1,1,0,0,0|1,0,1]=4 555 B8R0.2 CCC(C)C(C(=O)O)N I103488 [0,1,1,0,0,0|1,0,1]=4 556 B8R0.2 CCC(C)C(C(=O)O)N I105431 [0,1,1,0,0,0|1,0,1]=4 557 B8R0.2 CCC(C)C(C(=O)O)N I113733 [0,1,1,0,0,0|1,0,1]=4 558 B8R0.2 CCC(C)C(C(=O)O)N I113995 [0,1,1,0,0,0|1,0,1]=4 559 B8R0.2 CCC(C)C(C(=O)O)N I115775 [0,1,1,0,0,0|1,0,1]=4 560 B8R0.2 CCC(C)C(C(=O)O)N I117745 [0,1,1,0,0,0|1,0,1]=4 561 B8R0.2 CCC(C)C(C(=O)O)N L425728 [0,1,1,0,0,0|1,0,1]=4 562 B8R0.2 CCC(C)C(C(=O)O)O H351180 [0,1,1,0,0,0|0,0,2]=4 563 B8R0.20 CCC(=O)N(CC)CC N159275 [0,1,1,0,0,0|2,0,0]=4 564 B8R0.20 CCN(CC)C(=O)C=C N159039 [0,1,1,0,0,0|2,0,0]=4 565 B8R0.27 CC(C)(C)C(=O)C(=O)O D154871 [0,1,1,0,0,0|1,0,0]=3 566 B8R1.1 C1C(OC(=O)N1)CCl C134365 [1,1,0,0,0,0|2,0,0]=4 567 B8R1.1 C1C(OC(=O)O1)CO G156799 [1,1,0,0,0,0|2,0,0]=4 568 B8R1.1 C1CC(=O)NC1CBr B102457 [1,1,0,0,0,0|1,0,0]=3 569 B8R1.1 C1CC(=O)NC1CBr B102458 [1,1,0,0,0,0|1,0,0]=3 570 B8R1.1 C1CC(=O)NC1CO H103185 [1,1,0,0,0,0|1,0,0]=3 571 B8R1.1 C1CC(=O)NC1CO H103186 [1,1,0,0,0,0|1,0,0]=3 572 B8R1.1 CCC1CCC(=O)O1 C111339 [1,1,0,0,0,0|1,0,0]=3 573 B8R1.1 COC1=CC(=O)CC1 M170478 [1,1,0,0,0,0|0,0,1]=3 574 B8R1.1 COC1=CC(=O)NC1 M194648 [1,1,0,0,0,0|1,0,1]=4 575 B8R1.18 CC1C(=O)C=C(O1)C D102990 [1,1,0,0,0,0|1,0,1]=4 576 B8R1.51 CC1(CC(=O)NC1)C D194493 [1,1,0,0,0,0|1,0,1]=4 577 B8R1.51 CC1(CCC(=O)C1)C D175598 [1,1,0,0,0,0|0,0,1]=3 578 B8R1.51 CC1(CCC(=O)N1)C D193696 [1,1,0,0,0,0|1,0,0]=3 579 B8R1.51 CC1(COC(=O)N1)C D135412 [1,1,0,0,0,0|2,0,0]=4 580 B8R1.51 CC1CCS(=O)(=O)C1 M158451 [1,1,0,0,0,0|1,0,1]=4 581 B8R1.11 C1CC(=C(C1)N)C#N A183484 [1,1,0,0,0,0|2,0,0]=4 582 B8R1.11 C1CC(C(=O)C1)C#N C183485 [1,1,0,0,0,0|0,0,2]=4 583 B8R1.11 C=CN1CCCC1=O P101410 [1,1,0,0,0,0|2,0,0]=4 584 B8R1.11 C=CN1CCCC1=O P109104 [1,1,0,0,0,0|2,0,0]=4 585 B8R1.11 C=CN1CCCC1=O P110567 [1,1,0,0,0,0|2,0,0]=4 586 B8R1.11 C=CN1CCCC1=O P110607 [1,1,0,0,0,0|2,0,0]=4 587 B8R1.11 C=CN1CCCC1=O P110608 [1,1,0,0,0,0|2,0,0]=4 588 B8R1.11 C=CN1CCCC1=O P110609 [1,1,0,0,0,0|2,0,0]=4 589 B8R1.11 C=CN1CCCC1=O P110610 [1,1,0,0,0,0|2,0,0]=4 590 B8R1.11 C=CN1CCCC1=O P110611 [1,1,0,0,0,0|2,0,0]=4 591 B8R1.11 C=CN1CCCC1=O P274371 [1,1,0,0,0,0|2,0,0]=4 592 B8R1.11 C=CN1CCCC1=O P422896 [1,1,0,0,0,0|2,0,0]=4 593 B8R1.11 C=CN1CCCC1=O P434439 [1,1,0,0,0,0|2,0,0]=4 594 B8R1.11 C=CN1CCCC1=O P434440 [1,1,0,0,0,0|2,0,0]=4 595 B8R1.11 C=CN1CCCC1=O P434441 [1,1,0,0,0,0|2,0,0]=4 596 B8R1.11 C=CN1CCCC1=O P434442 [1,1,0,0,0,0|2,0,0]=4 597 B8R1.11 C=CN1CCCC1=O P434443 [1,1,0,0,0,0|2,0,0]=4 598 B8R1.11 C=CN1CCCC1=O P434444 [1,1,0,0,0,0|2,0,0]=4 599 B8R1.11 C=CN1CCCC1=O R615356 [1,1,0,0,0,0|2,0,0]=4 600 B8R1.11 C=CN1CCCC1=O V106155 [1,1,0,0,0,0|2,0,0]=4 601 B8R1.11 CCN1CCCC1=O E101635 [1,1,0,0,0,0|1,0,1]=4 602 B8R1.19 CC1(CCC=[N+]1[O-])C D106290 [1,1,0,0,0,0|1,0,1]=4 603 B8R1.19 CC1(CCCC1=O)C D131503 [1,1,0,0,0,0|0,0,1]=3 604 B8R1.19 CC1(CCOC1=O)C A151224 [1,1,0,0,0,0|1,0,0]=3 605 B8R1.19 CC1(CONC1=O)C D400297 [1,1,0,0,0,0|2,0,0]=4 606 B8R1.19 CC1CCOS1(=O)=O B152088 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.2 CCN1CCNC(=O)C1=O E135210 [0,1,0,0,0,1|1,0,0]=3 608 B10R1.63 CC1(CCC(=O)CC1=O)C D154370 [0,1,0,0,0,1|0,0,0]=2 609 B10R1.63 CC1(CCC(=O)OC1=O)C D154430 [0,1,0,0,0,1|0,0,0]=2 610 B10R1.176 CN1CCC(CC1=O)CN A174747 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.191 CC1C(C(=O)C(=C1C)C)C T138974 [0,2,0,0,0,0|1,0,1]=4 612 B8R1.2 C1CC(CC=C1)C=O C154037 [0,0,1,1,0,0|1,0,0]=3 613 B8R1.2 C1CC(OC=C1)C=O D171613 [0,0,1,1,0,0|2,0,0]=4 614 B8R1.2 C1CCC(=CC1)C=O C468613 [0,0,1,1,0,0|1,0,0]=3 615 B8R1.2 C1CCC(CC1)C=O C109681 [0,0,1,1,0,0|1,0,1]=4 616 B8R1.2 C1CCN(CC1)C=O F106773 [0,0,1,1,0,0|2,0,0]=4 617 B8R1.2 C1COCCC1C=O F184847 [0,0,1,1,0,0|2,0,0]=4 618 B8R1.2 C=CC1CCC=CC1 V106228 [0,0,1,1,0,0|2,0,0]=4 619 B8R1.3 CC1CCC(=O)CC1 M106719 [0,0,1,1,0,0|1,0,1]=4 620 B8R1.3 CC1CCC(=O)CC1 M113653 [0,0,1,1,0,0|1,0,1]=4 621 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,0,1,1,0,0|0,0,0]=2 622 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,0,1,1,0,0|1,0,1]=4 623 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,0,1,1,0,0|1,0,1]=4 624 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,0,1,1,0,0|0,0,2]=4 625 B8R1.5 CC1CCCCC1=O M100791 [0,0,1,1,0,0|1,0,1]=4 626 B8R1.5 CN1CCCCC1=O N335945 [0,0,1,1,0,0|2,0,0]=4 627 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,0,1,1,0,0|1,0,0]=3 628 B8R1.22 C1CCC(=O)NCC1 C111698 [0,0,1,1,0,0|2,0,0]=4 629 B8R1.22 C1CCC(=O)NCC1 C111700 [0,0,1,1,0,0|2,0,0]=4 630 B8R1.22 C1CCC(=O)OCC1 C109521 [0,0,1,1,0,0|2,0,0]=4 631 B8R1.22 C1CCC(=O)OCC1 C398060 [0,0,1,1,0,0|2,0,0]=4 632 B8R1.22 C1CCC(=O)OCC1 P299385 [0,0,1,1,0,0|2,0,0]=4 633 B8R1.22 C1CCC(=O)OCC1 P398622 [0,0,1,1,0,0|2,0,0]=4 634 B8R1.22 C1CCC(=O)OCC1 P478241 [0,0,1,1,0,0|2,0,0]=4 635 B8R1.22 C1CCC(=O)OCC1 P485972 [0,0,1,1,0,0|2,0,0]=4 636 B8R1.22 C1CCC(=O)OCC1 P579406 [0,0,1,1,0,0|2,0,0]=4 637 B8R1.22 C1CCCC(=O)CC1 C111127 [0,0,1,1,0,0|1,0,1]=4 638 B8R1.38 C1CC(C1)C(=O)NN C348580 [0,0,1,1,0,0|2,0,0]=4 639 B10R2.25 C=C1C2CCC(C2)C1=O M158868 [0,0,0,1,0,1|1,0,0]=3 640 B10R2.62 C1CC2CCC1C(=O)N2 A176151 [0,0,0,1,0,1|1,0,1]=4 641 B10R2.62 C1CN2CCC1C(=O)C2 Q109701 [0,0,0,1,0,1|2,0,0]=4 642 B10R2.178 C1CC(=O)C2OCC1O2 C478499 [0,0,0,1,0,1|0,0,2]=4 643 B6R1.5 CC1CC(=O)O1 B152852 [1,0,0,0,1,0|1,0,0]=3 644 B8R0.23 CC(=O)CC(=O)N(C)C N159276 [0,0,1,0,0,1|1,0,0]=3 645 B8R0.23 CC(C)C(=O)NC(=S)N B300478 [0,0,1,0,0,1|1,1,0]=4 646 B8R0.23 CC(C)C(=O)OC(C)C I157500 [0,0,1,0,0,1|1,0,1]=4 647 B8R0.23 CC(C)CC(=O)C(=O)O M104530 [0,0,1,0,0,1|1,0,0]=3 648 B8R0.23 CC(C)CC(=O)C(=O)O M401024 [0,0,1,0,0,1|1,0,0]=3 649 B8R0.23 CC(C)CC(=O)C(=O)[O-] C107926 [0,0,1,0,0,1|1,0,0]=3 650 B8R0.23 CC(C)CC(=O)C(=O)[O-] M136620 [0,0,1,0,0,1|1,0,0]=3 651 B8R0.23 CC(C)CC(=O)C(C)C D154365 [0,0,1,0,0,1|1,0,1]=4 652 B8R0.23 CC(C)NC(=O)C(=C)C I132125 [0,0,1,0,0,1|1,0,0]=3 653 B8R0.23 CC(C)OC(=O)C(=C)C I157609 [0,0,1,0,0,1|1,0,0]=3 654 B8R0.23 CC(C)OC(=O)C(C)N A113261 [0,0,1,0,0,1|1,0,1]=4 655 B8R0.23 CC(C)OC(=O)C(C)N D303645 [0,0,1,0,0,1|1,0,1]=4 656 B8R1.4 C1CC(=CC(=O)C1)N A136183 [1,0,0,0,0,1|1,0,1]=4 657 B8R1.4 C1CNC(=O)CC1N A174477 [1,0,0,0,0,1|1,0,1]=4 658 B8R1.4 C1CNC(=O)CC1O H193522 [1,0,0,0,0,1|1,0,1]=4 659 B8R1.4 CC1=CC(=O)CCC1 M104499 [1,0,0,0,0,1|0,0,1]=3 660 B8R1.4 CC1=CC(CCC1)O M168575 [1,0,0,0,0,1|2,0,0]=4 661 B8R1.4 CC1CC(=O)CCO1 M172463 [1,0,0,0,0,1|0,0,1]=3 662 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,0,0,1|0,0,1]=3 663 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,0,0,1|0,0,1]=3 664 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,0,0,1|1,0,0]=3 665 B8R1.4 CC1CCOS(=O)O1 M120341 [1,0,0,0,0,1|2,0,0]=4 666 B8R1.4 CC1COCC(=O)N1 S586561 [1,0,0,0,0,1|1,0,0]=3