0 B8R0.9 C(CC(=O)O)C(=O)CN A107209 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 C=CC(=O)NCC(=O)N N588400 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.9 C=CC(=O)NCC(=O)O A352738 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.9 C=CC(CCC(=O)O)N V136673 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.9 CCC(C)CCC(=O)O M138303 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.9 COC(=O)CCC(=O)O M102991 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.9 NCC(=O)CCC(O)=O A409271 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 CCCCC(C=C)O H589251 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 C#CCCCC(=O)O H111132 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.4 C(CC#N)CC(=O)O C184246 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 C(CNCC(=O)O)N A124646 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 C=CCCCC(=O)O H157078 [1,0,0,0,0,0|0,0,0]=1 23 B7R0.4 CC(=O)CCCC#N K157732 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.4 CCCCCC(=O)N H157108 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.4 CCCCCC(=O)O H103630 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.4 CCCCCC(=O)O H103631 [1,0,0,0,0,0|0,0,2]=3 32 B7R0.4 CCCCCC(=O)O H103632 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.4 CCCCCC(=O)O H278778 [1,0,0,0,0,0|0,0,2]=3 34 B7R0.4 CCCCCC(=O)O H432079 [1,0,0,0,0,0|0,0,2]=3 35 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,0,0,0,0|0,0,3]=4 36 B7R0.4 CCOCCC(=O)O E156172 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.4 CNCCCC(=O)O M276212 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.4 CNCCCC(=O)O M397624 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.4 COCCCC(=O)O M192558 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.6 C(C(=O)O)N=C(N)N G156848 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.6 C(C(=O)O)NC(=O)N H157226 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.6 C(C(=O)O)SC(=N)N S303941 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.6 C(CC(=O)N)C(=O)N S161127 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.6 C(CC(=O)O)C(=O)O P111885 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.6 C(CC(=O)O)C(=O)O S108852 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.6 C(CC(=O)O)C(=O)O S108853 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.6 C(CC(=O)O)C(=O)O S108854 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.6 C(CC(=O)O)C(=O)O S108855 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.6 C(CC(=O)O)C(=O)O S108856 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.6 C(CC(=O)O)C(=O)O S303059 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.6 C(CC(=O)O)C(=O)O S346179 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.6 C(CC(=O)O)C(=O)O S420589 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.6 C(CC(=O)O)C(=O)O S431423 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.6 C(CC(=O)O)C(=O)O S431424 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.6 C(CC(=O)O)C(=O)O S472090 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.6 CC(=O)CCC(=O)O L104281 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.6 CC(=O)CCC(=O)O L278641 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.6 CC(=O)CCC(=O)O L298748 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.6 CC(=O)CCC(=O)O L421026 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.6 CC(C)CCC(=O)C M106666 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.6 CC(C)CCC(=O)O M117869 [1,0,0,0,0,0|1,0,1]=3 67 B7R0.6 CN(C)CCC(=O)O D132248 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.7 C(C(C(=O)O)N)NC(=O)N L344148 [0,1,0,0,0,0|3,0,0]=4 70 B9R0.7 C(CC(=O)N)C(C(=O)N)N L355054 [0,1,0,0,0,0|2,0,0]=3 71 B9R0.7 C(CC(=O)N)C(C(=O)O)N D107632 [0,1,0,0,0,0|2,0,0]=3 72 B9R0.7 C(CC(=O)N)C(C(=O)O)N D424964 [0,1,0,0,0,0|2,0,0]=3 73 B9R0.7 C(CC(=O)N)C(C(=O)O)N D425535 [0,1,0,0,0,0|2,0,0]=3 74 B9R0.7 C(CC(=O)N)C(C(=O)O)N G105425 [0,1,0,0,0,0|2,0,0]=3 75 B9R0.7 C(CC(=O)N)C(C(=O)O)N L424801 [0,1,0,0,0,0|2,0,0]=3 76 B9R0.7 C(CC(=O)N)C(C(=O)O)N L432948 [0,1,0,0,0,0|2,0,0]=3 77 B9R0.7 C(CC(=O)N)C(C(=O)O)N L471811 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.7 C(CC(=O)N)C(C(=O)O)N S161022 [0,1,0,0,0,0|2,0,0]=3 79 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105570 [0,1,0,0,0,0|2,0,1]=4 80 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105571 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K423350 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.7 C(CC(=O)O)C(C(=O)O)N A590090 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.7 C(CC(=O)O)C(C(=O)O)N G100444 [0,1,0,0,0,0|1,0,0]=2 84 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103978 [0,1,0,0,0,0|1,0,0]=2 85 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103979 [0,1,0,0,0,0|1,0,0]=2 86 B9R0.7 C(CC(=O)O)C(C(=O)O)N G107510 [0,1,0,0,0,0|1,0,0]=2 87 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111546 [0,1,0,0,0,0|1,0,0]=2 88 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111548 [0,1,0,0,0,0|1,0,0]=2 89 B9R0.7 C(CC(=O)O)C(C(=O)O)N G113196 [0,1,0,0,0,0|1,0,0]=2 90 B9R0.7 C(CC(=O)O)C(C(=O)O)N G117739 [0,1,0,0,0,0|1,0,0]=2 91 B9R0.7 C(CC(=O)O)C(C(=O)O)N G301751 [0,1,0,0,0,0|1,0,0]=2 92 B9R0.7 C(CC(=O)O)C(C(=O)O)N L424802 [0,1,0,0,0,0|1,0,0]=2 93 B9R0.7 C(CC(=O)O)C(C(=O)O)N P420080 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.7 C(CC(=O)O)C(C(=O)O)N S161021 [0,1,0,0,0,0|1,0,0]=2 95 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L355121 [0,1,0,0,0,0|1,0,1]=3 96 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L478518 [0,1,0,0,0,0|1,0,1]=3 97 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108801 [0,1,0,0,0,0|1,0,1]=3 98 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108802 [0,1,0,0,0,0|1,0,1]=3 99 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])N L465222 [0,1,0,0,0,0|1,0,1]=3 100 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O D420421 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S135663 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S137414 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.7 CC(=O)OCC(C(=O)O)N O159915 [0,1,0,0,0,0|3,0,0]=4 104 B9R0.7 CC(=O)OCC(C(=O)O)N O303851 [0,1,0,0,0,0|3,0,0]=4 105 B9R0.7 CC(CCC(=O)O)C(=O)O M136432 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.7 CS(=O)CCC(C(=O)O)N L134616 [0,1,0,0,0,0|3,0,0]=4 107 B9R0.7 CS(=O)CCC(C(=O)O)N S161195 [0,1,0,0,0,0|3,0,0]=4 108 B9R0.23 CCC(C)C(CC(=O)O)N H117051 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.35 C1C(C=CC1N)C(=O)O S181238 [0,0,0,1,0,0|0,0,0]=1 110 B9R1.35 C1C(CNC1C(=O)O)F S171572 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.35 C1C(CNC1C(=O)O)F S183102 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.35 C1C(CNC1C(=O)O)F T162045 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.35 C1C(CNC1C(=O)O)O C177424 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.35 C1C(CNC1C(=O)O)O C422902 [0,0,0,1,0,0|2,0,1]=4 115 B9R1.35 C1C(CNC1C(=O)O)O H110730 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.35 C1C(CNC1C(=O)O)O H111005 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.35 C1C(CNC1C(=O)O)O I132870 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.35 C1C(CNC1C(=O)O)O I134121 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.35 C1C(CNC1C(=O)O)O R174124 [0,0,0,1,0,0|2,0,1]=4 120 B9R1.35 C1C(CNC1C(=O)O)O T424412 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.35 C1C(CNC1C(=O)O)O T485298 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.35 C1CC(CC1C(=O)O)N A187884 [0,0,0,1,0,0|0,0,2]=3 123 B9R1.35 C1CC(CC1C(=O)O)O H586133 [0,0,0,1,0,0|1,0,2]=4 124 B9R1.69 C1CC(=O)NC(=O)C1Br B589701 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.69 C1CC(=O)NC(=O)C1N A175882 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.69 C1CC(=O)NC(=O)C1N A303287 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.69 C1CC(=O)NC(=O)C1N A588312 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.69 C1CC(=O)NC(=O)C1N S588414 [0,0,0,1,0,0|2,0,0]=3 129 B7R0.2 C(C(CN)O)C(=O)O S469570 [0,0,0,0,1,0|2,0,1]=4 130 B7R0.2 C(C(CO)N)C(=O)O H353181 [0,0,0,0,1,0|1,0,1]=3 131 B7R0.2 C(C(CO)N)C(=O)O S191379 [0,0,0,0,1,0|1,0,1]=3 132 B7R0.2 CCC(C)CC(=O)O M109883 [0,0,0,0,1,0|1,0,2]=4 133 B7R0.2 CCC(CC(=O)O)N A191758 [0,0,0,0,1,0|0,0,2]=3 134 B7R0.2 CCC(CC(=O)O)N I167296 [0,0,0,0,1,0|0,0,2]=3 135 B9R0.1 C=CC(=O)OCCC(=O)O C303186 [0,0,0,0,0,1|1,0,1]=3 136 B6R0.1 CCCC(C=C)O H157268 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.4 C#CCCC(=O)O P133515 [2,0,0,0,0,0|0,0,2]=4 138 B6R0.4 C(C(=O)O)NC=O N159822 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.4 C(CC(=O)Cl)CBr B102197 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.4 C(CC(=O)Cl)CCl C109449 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 C(CC(=O)N)CCl C168978 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.4 C(CC(=O)O)C#N C191241 [2,0,0,0,0,0|0,0,2]=4 143 B6R0.4 C(CC(=O)O)CBr B106907 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.4 C(CC(=O)O)CCl C134513 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.4 C(CC(=O)O)CN A104200 [2,0,0,0,0,0|0,0,0]=2 146 B6R0.4 C(CC(=O)O)CN A293557 [2,0,0,0,0,0|0,0,0]=2 147 B6R0.4 C(CC(=O)O)CN A424756 [2,0,0,0,0,0|0,0,0]=2 148 B6R0.4 C(CC(=O)O)CN A468499 [2,0,0,0,0,0|0,0,0]=2 149 B6R0.4 C(CC(=O)O)CN A472038 [2,0,0,0,0,0|0,0,0]=2 150 B6R0.4 C(CC(=O)O)CN G276591 [2,0,0,0,0,0|0,0,0]=2 151 B6R0.4 C(CN)C[P+](=O)O A275461 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.4 C=CCCC(=O)Cl P278805 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.4 C=CCCC(=O)O P160582 [2,0,0,0,0,0|0,0,0]=2 154 B6R0.4 C=CCNC(=O)N A151231 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.4 C=CCOC(=O)N A467193 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.4 CC(=O)CCC=C H113634 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.4 CC(=O)NCCN A117219 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.4 CC(=O)OCC=C A107305 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.4 CC(=O)OCCN A588049 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.4 CC(=O)SCCN T340735 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.4 CC(C)CCC=O M586390 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.4 CC=CCC(=O)O P165142 [2,0,0,0,0,0|0,0,2]=4 165 B6R0.4 CCCCC(=O)Br V162931 [2,0,0,0,0,0|1,0,1]=4 166 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|1,0,1]=4 167 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|1,0,1]=4 170 B6R0.4 CCCCC(=O)Cl V107241 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|1,0,1]=4 172 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|0,0,1]=3 173 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|0,0,1]=3 174 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|0,0,1]=3 175 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|0,0,1]=3 176 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|0,0,1]=3 177 B6R0.4 CCCCC(=O)[O-] S194180 [2,0,0,0,0,0|0,0,2]=4 178 B6R0.4 CCCC[Sn](=O)O M107696 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.4 CCNCC(=O)O N159193 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.4 CCOCC(=O)O E156174 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.4 CCSCC(=O)O E300419 [2,0,0,0,0,0|1,0,1]=4 182 B6R0.4 CNCCC(=O)O M183299 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.4 COCCC(=O)O M169065 [2,0,0,0,0,0|1,0,1]=4 184 B6R0.4 CSCCC(=O)O M158072 [2,0,0,0,0,0|1,0,1]=4 185 B6R0.6 C(CC=O)CC=O G105905 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.6 C(CC=O)CC=O G105906 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.6 C(CC=O)CC=O G105907 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.6 C(CC=O)CC=O G105908 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.6 C(CC=O)CC=O G359127 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.6 C(CC=O)CC=O G598815 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.6 C(CC=O)CC=O G639768 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.6 C=CCCCC#N H157042 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.6 C=CCCCC=C H157269 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.6 C=CCCCCBr B122541 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.6 C=CCCCCCl C115790 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.6 C=CCCCCO H113637 [2,0,0,0,0,0|0,0,1]=3 197 B6R0.6 C=CCNCC=C D106260 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.6 C=CCNCC=C D123284 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.6 C=CCOCC=C A151191 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.6 C=CCOCCO A303300 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.6 C=CCOCCO A303301 [2,0,0,0,0,0|1,0,1]=4 202 B6R0.6 C=CCOCCO E156080 [2,0,0,0,0,0|1,0,1]=4 203 B6R0.6 C=CCSCC=C D101110 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|1,0,1]=4 205 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|0,0,2]=4 208 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|0,0,2]=4 209 B8R0.5 C#CCC(CC(=O)O)N I169630 [1,1,0,0,0,0|0,0,2]=4 210 B8R0.7 C#CCCCCC(=O)O H107741 [1,1,0,0,0,0|0,0,2]=4 211 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,1,0,0,0,0|0,0,2]=4 212 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,1,0,0,0,0|0,0,2]=4 213 B8R0.7 C(CCC(=O)O)CCN A306000 [1,1,0,0,0,0|0,0,2]=4 214 B8R0.7 C(CCC(=O)O)CCN A433060 [1,1,0,0,0,0|0,0,2]=4 215 B8R0.7 C(CCC(=O)O)CCO H302536 [1,1,0,0,0,0|0,0,2]=4 216 B8R0.7 C(CCC(=O)O)CCS M292991 [1,1,0,0,0,0|0,0,2]=4 217 B8R0.7 C(CCC(=O)O)CCS M345400 [1,1,0,0,0,0|0,0,2]=4 218 B8R0.7 C(CN)CNCC(=O)O N159195 [1,1,0,0,0,0|1,0,1]=4 219 B8R0.7 C(CNCC(=O)O)C#N N159829 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.7 C(COCCN)C(=O)O A412738 [1,1,0,0,0,0|1,0,1]=4 221 B8R0.7 C=CCOCCC(=O)O A151450 [1,1,0,0,0,0|0,0,0]=2 222 B8R0.7 CC(=O)OCCCC=C P160540 [1,1,0,0,0,0|1,0,0]=3 223 B8R0.7 CCCCCCC(=O)O H103518 [1,1,0,0,0,0|0,0,2]=4 224 B8R0.7 CCCCCCC(=O)O H103519 [1,1,0,0,0,0|0,0,2]=4 225 B8R0.7 CCCCCCC(=O)O H103520 [1,1,0,0,0,0|0,0,2]=4 226 B8R0.7 CCCCCCC(=O)O H431469 [1,1,0,0,0,0|0,0,2]=4 227 B8R0.7 CCCCOCC(=O)O B152317 [1,1,0,0,0,0|0,0,2]=4 228 B8R0.7 COCCOCC(=O)O M138320 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.28 C(C(=O)N)OCC(=O)O A168692 [1,1,0,0,0,0|2,0,0]=4 230 B8R0.28 C(C(=O)O)NCC(=O)O I104451 [1,1,0,0,0,0|2,0,0]=4 231 B8R0.28 C(C(=O)O)OCC(=O)O D155445 [1,1,0,0,0,0|2,0,0]=4 232 B8R0.28 C(C(=O)O)SCC(=O)O T106634 [1,1,0,0,0,0|2,0,0]=4 233 B8R0.28 C(CC(=O)Cl)CC(=O)Cl G109391 [1,1,0,0,0,0|2,0,0]=4 234 B8R0.28 C(CC(=O)N)CC(=O)O A169054 [1,1,0,0,0,0|1,0,0]=3 235 B8R0.28 C(CC(=O)O)CC(=O)O G103515 [1,1,0,0,0,0|1,0,0]=3 236 B8R0.28 C(CC(=O)O)CC(=O)O G103516 [1,1,0,0,0,0|1,0,0]=3 237 B8R0.28 C(CC(=O)O)CC(=O)O G420610 [1,1,0,0,0,0|1,0,0]=3 238 B8R0.28 C(CC(=O)[O-])CC(=O)[O-] D154294 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.28 C(CN=C(N)N)C(=O)O D137194 [1,1,0,0,0,0|2,0,0]=4 240 B8R0.28 C(CNC(=O)N)C(=O)O U170466 [1,1,0,0,0,0|2,0,0]=4 241 B8R0.28 C(CNC(=O)N)C(=O)O U424088 [1,1,0,0,0,0|2,0,0]=4 242 B8R0.28 C(CSC(=N)N)C(=O)O I121960 [1,1,0,0,0,0|2,0,0]=4 243 B8R0.28 CC(=O)CCCC(=O)O O159987 [1,1,0,0,0,0|0,0,1]=3 244 B8R0.28 CC(=O)NCCC(=O)O N133308 [1,1,0,0,0,0|1,0,1]=4 245 B8R0.28 CC(=O)SCCC(=O)O A136318 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.28 CC(C)CCCC(=O)O M158389 [1,1,0,0,0,0|0,0,2]=4 247 B8R0.28 CN(C)CCCC(=O)O D589906 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.28 CN(C)CCCC(=O)O W133561 [1,1,0,0,0,0|1,0,1]=4 249 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [1,1,0,0,0,0|1,0,1]=4 252 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [1,1,0,0,0,0|1,0,1]=4 253 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [1,1,0,0,0,0|1,0,1]=4 254 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [1,1,0,0,0,0|1,0,1]=4 255 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [1,1,0,0,0,0|1,0,1]=4 256 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [1,1,0,0,0,0|1,0,1]=4 257 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [1,1,0,0,0,0|1,0,1]=4 258 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [1,1,0,0,0,0|1,0,1]=4 260 B8R0.23 CC(C(CC(=O)O)N)O H352839 [1,1,0,0,0,0|1,0,1]=4 261 B8R0.23 CC(C)C(CC(=O)O)N L102509 [1,1,0,0,0,0|1,0,1]=4 262 B8R0.23 CC(C)C(CC(=O)O)N L182849 [1,1,0,0,0,0|1,0,1]=4 263 B8R0.23 CC(C)C(CC(=O)O)N R194939 [1,1,0,0,0,0|1,0,1]=4 264 B8R0.23 CC(C)C(CC(=O)O)N S193261 [1,1,0,0,0,0|1,0,1]=4 265 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [1,1,0,0,0,0|1,0,1]=4 266 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [1,1,0,0,0,0|1,0,1]=4 267 B8R0.23 CC(C)CC(C(=O)O)N L100046 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.23 CC(C)CC(C(=O)O)N L104898 [1,1,0,0,0,0|1,0,1]=4 269 B8R0.23 CC(C)CC(C(=O)O)N L110997 [1,1,0,0,0,0|1,0,1]=4 270 B8R0.23 CC(C)CC(C(=O)O)N L117742 [1,1,0,0,0,0|1,0,1]=4 271 B8R0.23 CC(C)CC(C(=O)O)N L425126 [1,1,0,0,0,0|1,0,1]=4 272 B8R0.23 CC(C)CC(C(=O)O)N L433130 [1,1,0,0,0,0|1,0,1]=4 273 B8R0.23 CC(C)CC(C(=O)O)O L421425 [1,1,0,0,0,0|1,0,1]=4 274 B8R0.23 CC(C)CC(C(=O)O)O R182597 [1,1,0,0,0,0|1,0,1]=4 275 B8R0.23 CC(C)CC(C(=O)O)O S161033 [1,1,0,0,0,0|1,0,1]=4 276 B8R0.23 CC(C)CC(C(=O)O)O S161215 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.29 C(CC(F)(F)F)C(=O)O T121978 [1,1,0,0,0,0|2,0,0]=4 278 B8R0.29 CC(CCC(=O)O)(F)F D586779 [1,1,0,0,0,0|1,0,1]=4 279 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S161422 [0,1,0,0,0,1|1,0,0]=3 280 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S303159 [0,1,0,0,0,1|1,0,0]=3 281 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A100535 [0,1,0,0,0,1|1,0,0]=3 282 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117161 [0,1,0,0,0,1|1,0,0]=3 283 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117210 [0,1,0,0,0,1|1,0,0]=3 284 B10R0.98 CC(=O)OCCC(C(=O)O)N O351769 [0,1,0,0,0,1|2,0,0]=4 285 B10R0.43 C(CC(C(=O)O)(F)F)C(=O)O D193098 [0,2,0,0,0,0|2,0,0]=4 286 B10R0.43 CC(C)(CCC(=O)O)C(=O)O D102790 [0,2,0,0,0,0|2,0,0]=4 287 B10R0.84 CNC(CCC(=O)O)C(=O)O B301363 [0,2,0,0,0,0|1,0,0]=3 288 B10R0.84 CNC(CCC(=O)O)C(=O)O M140199 [0,2,0,0,0,0|1,0,0]=3 289 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N D287137 [0,2,0,0,0,0|2,0,0]=4 290 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N L274683 [0,2,0,0,0,0|2,0,0]=4 291 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N x168370 [0,2,0,0,0,0|2,0,0]=4 292 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N L486721 [0,2,0,0,0,0|2,0,0]=4 293 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N S135161 [0,2,0,0,0,0|2,0,0]=4 294 B10R0.92 CP(=O)(CCC(C(=O)O)N)O G114499 [0,2,0,0,0,0|2,0,0]=4 295 B10R0.93 C(C(C(=O)O)N)C(C(=O)O)O R465245 [0,2,0,0,0,0|1,0,0]=3 296 B10R0.93 CC(CC(C(=O)O)N)C(=O)O S288041 [0,2,0,0,0,0|1,0,0]=3 297 B10R0.26 C=CCS(=O)CC(C(=O)O)N A110692 [0,2,0,0,0,0|2,0,0]=4 298 B10R0.26 C=CCS(=O)CC(C(=O)O)N A110693 [0,2,0,0,0,0|2,0,0]=4 299 B10R0.96 C(CC(=O)O)C(CC(=O)O)N H117048 [0,2,0,0,0,0|0,0,1]=3 300 B10R0.96 CC(CCC(=O)O)CC(=O)O M158387 [0,2,0,0,0,0|1,0,1]=4 301 B8R1.1 C1CC(=O)NC1CBr B102457 [1,0,0,1,0,0|1,0,1]=4 302 B8R1.1 C1CC(=O)NC1CBr B102458 [1,0,0,1,0,0|1,0,1]=4 303 B8R1.1 C1CC(=O)NC1CO H103185 [1,0,0,1,0,0|1,0,1]=4 304 B8R1.1 C1CC(=O)NC1CO H103186 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.1 C=CC1COC(=O)O1 V107647 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.2 C=CC1CCC=CC1 V106228 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.3 C1C(=O)C=CC(O1)O H192951 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.3 C1CC(=O)CCC1N A194532 [1,0,0,1,0,0|0,0,2]=4 309 B8R1.50 CC1CCC(=O)C1=O M109224 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.4 C1C(=O)OC(=O)CO1 D154432 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.4 C1C(=O)OC(=O)CS1 T136548 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.4 C1CC(=CC(=O)C1)N A136183 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [1,0,0,1,0,0|1,0,0]=3 316 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.4 CC1=CC(=O)CCC1 M104499 [1,0,0,1,0,0|1,0,1]=4 318 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,1,0,0|0,0,2]=4 319 B8R1.7 C1C=CC(N1)C(=O)O D137596 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.7 C1C=CC(N1)C(=O)O D169706 [1,0,0,1,0,0|1,0,0]=3 321 B8R1.7 C1C=CCC1C(=O)O C153744 [1,0,0,1,0,0|0,0,2]=4 322 B8R1.7 C1CC(NC1)C(=O)O D423511 [1,0,0,1,0,0|1,0,1]=4 323 B8R1.7 C1CC(NC1)C(=O)O L421729 [1,0,0,1,0,0|1,0,1]=4 324 B8R1.7 C1CC(NC1)C(=O)O P105590 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.7 C1CC(NC1)C(=O)O P108709 [1,0,0,1,0,0|1,0,1]=4 326 B8R1.7 C1CC(NC1)C(=O)O P111001 [1,0,0,1,0,0|1,0,1]=4 327 B8R1.7 C1CC(NC1)C(=O)O P120032 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.7 C1CC(NC1)C(=O)O P140375 [1,0,0,1,0,0|1,0,1]=4 329 B8R1.7 C1CC(NC1)C(=O)O P477766 [1,0,0,1,0,0|1,0,1]=4 330 B8R1.7 C1CC(OC1)C(=O)O R160850 [1,0,0,1,0,0|1,0,1]=4 331 B8R1.7 C1CC(OC1)C(=O)O S161338 [1,0,0,1,0,0|1,0,1]=4 332 B8R1.7 C1CC(OC1)C(=O)O T161757 [1,0,0,1,0,0|1,0,1]=4 333 B8R1.7 C1CC=C(C1)C(=O)O C153747 [1,0,0,1,0,0|0,0,2]=4 334 B8R1.7 C1CCC(C1)C(=O)O C104489 [1,0,0,1,0,0|0,0,2]=4 335 B8R1.7 C1CNCC1C(=O)O P176886 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.7 C1CNCC1C(=O)O P196048 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.7 C1CNCC1C(=O)O S134732 [1,0,0,1,0,0|1,0,1]=4 338 B8R1.7 C1CNCC1C(=O)O S137345 [1,0,0,1,0,0|1,0,1]=4 339 B8R1.7 C1COCC1C(=O)O R194491 [1,0,0,1,0,0|1,0,1]=4 340 B8R1.7 C1COCC1C(=O)O T135700 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.23 C=C1CC(C1)C(=O)O M174562 [1,0,0,1,0,0|1,0,1]=4 342 B8R1.77 C1C(C1(F)F)C(=O)O D165818 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.77 CC1(CC1C(=O)O)C D194933 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.77 CC1(CC1C(=O)O)C S161036 [1,0,0,1,0,0|1,0,1]=4 345 B8R1.18 CC1CC(=O)OC1=O M102626 [0,0,0,1,1,0|2,0,0]=4 346 B10R1.13 C1CC(CCC1C(=O)O)N A124585 [0,0,0,1,0,1|0,0,2]=4 347 B10R1.13 C1CC(CCC1C(=O)O)N C153750 [0,0,0,1,0,1|0,0,2]=4 348 B10R1.13 C1CC(CCC1C(=O)O)N I135100 [0,0,0,1,0,1|0,0,2]=4 349 B10R1.54 CC(=O)OC1CC(C=C1)O R176918 [0,0,0,1,0,1|2,0,0]=4 350 B10R1.63 CC1(CCC(=O)OC1=O)C D154430 [0,1,0,1,0,0|2,0,0]=4 351 B10R1.113 C1CC(CC(C1)N)C(=O)O A133090 [0,1,0,1,0,0|0,0,2]=4 352 B10R1.113 C1CC(CC(C1)N)C(=O)O C153901 [0,1,0,1,0,0|0,0,2]=4 353 B10R1.66 C1=C(NC=N1)CCC(=O)O I165812 [0,1,0,1,0,0|0,0,1]=3 354 B10R1.66 C1=CN(C=C1)CCC(=O)O D304839 [0,1,0,1,0,0|2,0,0]=4 355 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [0,1,0,1,0,0|1,0,1]=4 356 B10R1.66 C1=CSC(=C1)CCC(=O)O T472520 [0,1,0,1,0,0|1,0,1]=4 357 B6R0.2 C(C(=O)N)C(=O)O M168857 [1,0,0,0,1,0|1,0,1]=4 358 B6R0.2 CC(C)CC(=O)O I108280 [1,0,0,0,1,0|1,0,1]=4 359 B6R0.2 CC(C)CC(=O)O I108281 [1,0,0,0,1,0|1,0,1]=4 360 B6R0.2 CC(C)CC(=O)O I424338 [1,0,0,0,1,0|1,0,1]=4 361 B6R0.2 CC(C)CC(=O)O I432771 [1,0,0,0,1,0|1,0,1]=4 362 B6R0.2 CC(CC(=O)O)Br B169132 [1,0,0,0,1,0|1,0,1]=4 363 B6R0.2 CC(CC(=O)O)Cl C153466 [1,0,0,0,1,0|1,0,1]=4 364 B6R0.2 CC(CC(=O)O)N A100948 [1,0,0,0,1,0|0,0,1]=3 365 B6R0.2 CC(CC(=O)O)N H117041 [1,0,0,0,1,0|0,0,1]=3 366 B6R0.2 CC(CC(=O)O)N R184127 [1,0,0,0,1,0|0,0,1]=3 367 B6R0.2 CC(CC(=O)O)N S193074 [1,0,0,0,1,0|0,0,1]=3 368 B6R0.2 CC(CC(=O)O)O P347707 [1,0,0,0,1,0|1,0,1]=4 369 B6R0.2 CC(CC(=O)O)O R304188 [1,0,0,0,1,0|1,0,1]=4 370 B6R0.2 CC(CC(=O)O)O R425172 [1,0,0,0,1,0|1,0,1]=4 371 B6R0.2 CC(CC(=O)O)O S161108 [1,0,0,0,1,0|1,0,1]=4 372 B6R0.2 CC(CC(=O)O)O S194215 [1,0,0,0,1,0|1,0,1]=4 373 B6R0.3 C(C(C(=O)O)N)Cl C153754 [0,0,0,0,2,0|1,0,1]=4 374 B6R0.3 C(C(C(=O)O)N)Cl C341469 [0,0,0,0,2,0|1,0,1]=4 375 B6R0.3 C(C(C(=O)O)N)N D102444 [0,0,0,0,2,0|1,0,1]=4 376 B6R0.3 C(C(C(=O)O)N)N D102445 [0,0,0,0,2,0|1,0,1]=4 377 B6R0.3 C(C(C(=O)O)N)N O105987 [0,0,0,0,2,0|1,0,1]=4 378 B6R0.3 C(C(C(=O)O)N)N S161147 [0,0,0,0,2,0|1,0,1]=4 379 B6R0.3 C(C(C(=O)O)N)O D423121 [0,0,0,0,2,0|1,0,1]=4 380 B6R0.3 C(C(C(=O)O)N)O D423225 [0,0,0,0,2,0|1,0,1]=4 381 B6R0.3 C(C(C(=O)O)N)O L424779 [0,0,0,0,2,0|1,0,1]=4 382 B6R0.3 C(C(C(=O)O)N)O L476400 [0,0,0,0,2,0|1,0,1]=4 383 B6R0.3 C(C(C(=O)O)N)O S103483 [0,0,0,0,2,0|1,0,1]=4 384 B6R0.3 C(C(C(=O)O)N)O S105977 [0,0,0,0,2,0|1,0,1]=4 385 B6R0.3 C(C(C(=O)O)N)O S108219 [0,0,0,0,2,0|1,0,1]=4 386 B6R0.3 C(C(C(=O)O)N)O S118658 [0,0,0,0,2,0|1,0,1]=4 387 B6R0.3 C(C(C(=O)O)N)O S137887 [0,0,0,0,2,0|1,0,1]=4 388 B6R0.3 C(C(C(=O)O)N)O S137888 [0,0,0,0,2,0|1,0,1]=4 389 B6R0.3 C(C(C(=O)O)N)O S432938 [0,0,0,0,2,0|1,0,1]=4 390 B6R0.3 C(C(C(=O)O)N)S C108237 [0,0,0,0,2,0|1,0,1]=4 391 B6R0.3 C(C(C(=O)O)N)S C108238 [0,0,0,0,2,0|1,0,1]=4 392 B6R0.3 C(C(C(=O)O)N)S C110184 [0,0,0,0,2,0|1,0,1]=4 393 B6R0.3 C(C(C(=O)O)N)S C110436 [0,0,0,0,2,0|1,0,1]=4 394 B6R0.3 C(C(C(=O)O)N)S C110437 [0,0,0,0,2,0|1,0,1]=4 395 B6R0.3 C(C(C(=O)O)N)S C113143 [0,0,0,0,2,0|1,0,1]=4 396 B6R0.3 C(C(C(=O)O)N)S C118575 [0,0,0,0,2,0|1,0,1]=4 397 B6R0.3 C(C(C(=O)O)N)S D304972 [0,0,0,0,2,0|1,0,1]=4 398 B6R0.3 C(C(C(=O)O)N)S L424532 [0,0,0,0,2,0|1,0,1]=4 399 B6R0.3 C(C(C(=O)O)N)S L424534 [0,0,0,0,2,0|1,0,1]=4 400 B6R0.3 C(C(C(=O)O)N)S L432833 [0,0,0,0,2,0|1,0,1]=4 401 B6R0.3 C(C(C(=O)O)N)S S161428 [0,0,0,0,2,0|1,0,1]=4 402 B6R0.3 C(C(C(=O)O)N)S S588042 [0,0,0,0,2,0|1,0,1]=4 403 B6R0.3 CC(C=C)C(=O)O M404731 [0,0,0,0,2,0|1,0,0]=3 404 B6R0.3 CCC(C(=O)O)N A109788 [0,0,0,0,2,0|0,0,2]=4 405 B6R0.3 CCC(C(=O)O)N A111241 [0,0,0,0,2,0|0,0,2]=4 406 B6R0.3 CCC(C(=O)O)N A111260 [0,0,0,0,2,0|0,0,2]=4 407 B6R0.3 CCC(C(=O)O)N A414642 [0,0,0,0,2,0|0,0,2]=4 408 B6R0.3 CCC(C(=O)O)N D422924 [0,0,0,0,2,0|0,0,2]=4 409 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [0,0,0,0,2,0|1,0,1]=4