0 B9R0.47 C#CCSCC(C(=O)O)N R183709 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.47 C(CN=[N+]=[N-])C(C(=O)O)N L287058 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.47 C(CSCC(C(=O)O)N)N S170219 [0,0,0,0,0,0|1,0,1]=2 25 B9R0.47 C=CCSCC(C(=O)O)N I137523 [0,0,0,0,0,0|0,0,0]=0 26 B9R0.47 CCCCCC(C(=O)O)N D137428 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.47 CCCCCC(C(=O)O)N S193453 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.47 CCSCCC(C(=O)O)N E117217 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.47 CCSCCC(C(=O)O)N E117218 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.6 C=CCOCC(CO)O A151103 [1,0,0,0,0,0|1,1,1]=4 32 B8R0.7 C#CCCCCC(=O)O H107741 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 C(CCC(=O)O)CCN A306000 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.7 C(CCC(=O)O)CCN A433060 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 C(CCC(=O)O)CCO H302536 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 C(CCC(=O)O)CCS M292991 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 C(CCC(=O)O)CCS M345400 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.7 C(COCCN)C(=O)O A412738 [1,0,0,0,0,0|1,1,1]=4 41 B8R0.7 C=CCOCCC(=O)O A151450 [1,0,0,0,0,0|0,1,0]=2 42 B8R0.7 CC(=O)OCCCC=C P160540 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.7 CCCCCCC(=O)O H103518 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.7 CCCCCCC(=O)O H103519 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.7 CCCCCCC(=O)O H103520 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.7 CCCCCCC(=O)O H431469 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.8 C(C(C(=O)O)N)N=[N+]=[N-] A463358 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.8 C(CC(C(=O)O)N)CN L350090 [1,0,0,0,0,0|1,0,1]=3 49 B8R0.8 C(CC(C(=O)O)N)CN L413185 [1,0,0,0,0,0|1,0,1]=3 50 B8R0.8 C(CC(C(=O)O)N)CN L423300 [1,0,0,0,0,0|1,0,1]=3 51 B8R0.8 C(CC(C(=O)O)N)CN L425600 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.8 C(CC(C(=O)O)N)CN L432617 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.8 C(CC(C(=O)O)N)CN O101048 [1,0,0,0,0,0|1,0,1]=3 54 B8R0.8 C(CC(C(=O)O)N)CN O108803 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.8 C(CC(C(=O)O)N)CN S161189 [1,0,0,0,0,0|1,0,1]=3 56 B8R0.8 C(CC(C(=O)O)N)CN S161190 [1,0,0,0,0,0|1,0,1]=3 57 B8R0.8 C(CC(C(=O)O)N)CN S589622 [1,0,0,0,0,0|1,0,1]=3 58 B8R0.8 CCCCC(C(=O)O)Br B152316 [1,0,0,0,0,0|1,0,2]=4 59 B8R0.8 CCCCC(C(=O)O)N L485252 [1,0,0,0,0,0|0,0,2]=3 60 B8R0.8 CCCCC(C(=O)O)N N105991 [1,0,0,0,0,0|0,0,2]=3 61 B8R0.8 CCCCC(C(=O)O)N N109230 [1,0,0,0,0,0|0,0,2]=3 62 B8R0.8 CCCCC(C(=O)O)N S136235 [1,0,0,0,0,0|0,0,2]=3 63 B8R0.8 CCCCC(C(=O)O)O H300379 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.8 CCCCC(C(=O)O)O H425022 [1,0,0,0,0,0|1,0,2]=4 65 B8R0.8 CCCCC(C)C(=O)O M158388 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.8 CCCCC(C)C(=O)O M424064 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.8 CSCCC(C(=O)N)N S587494 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.8 CSCCC(C(=O)O)N D423548 [1,0,0,0,0,0|1,0,1]=3 69 B8R0.8 CSCCC(C(=O)O)N D424961 [1,0,0,0,0,0|1,0,1]=3 70 B8R0.8 CSCCC(C(=O)O)N L133003 [1,0,0,0,0,0|1,0,1]=3 71 B8R0.8 CSCCC(C(=O)O)N L425234 [1,0,0,0,0,0|1,0,1]=3 72 B8R0.8 CSCCC(C(=O)O)N M101130 [1,0,0,0,0,0|1,0,1]=3 73 B8R0.8 CSCCC(C(=O)O)N M101131 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.8 CSCCC(C(=O)O)N M104886 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.8 CSCCC(C(=O)O)N M109223 [1,0,0,0,0,0|1,0,1]=3 76 B8R0.8 CSCCC(C(=O)O)O H194065 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [1,0,0,0,0,0|1,0,1]=3 78 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [1,0,0,0,0,0|1,0,1]=3 79 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [1,0,0,0,0,0|1,0,1]=3 80 B10R0.26 C=CCS(=O)CC(C(=O)O)N A110692 [0,1,0,0,0,0|0,0,1]=2 81 B10R0.26 C=CCS(=O)CC(C(=O)O)N A110693 [0,1,0,0,0,0|0,0,1]=2 82 B10R0.75 C(CO)CSCC(C(=O)O)N F129236 [0,1,0,0,0,0|0,0,2]=3 83 B10R0.75 C(CO)CSCC(C(=O)O)N F421233 [0,1,0,0,0,0|0,0,2]=3 84 B10R0.75 CCCCCCC(C(=O)O)N S134525 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.75 CCCCCCC(C(=O)O)N S189878 [0,1,0,0,0,0|1,0,2]=4 86 B10R0.82 C(CC(C(=O)O)N)C(CN)O H112850 [0,1,0,0,0,0|2,0,1]=4 87 B10R0.83 COC(=O)C(CCCCN)N D404620 [0,1,0,0,0,0|2,0,1]=4 88 B10R0.83 COC(=O)C(CCCCN)N L100451 [0,1,0,0,0,0|2,0,1]=4 89 B10R0.83 COC(=O)C(CCCCN)N S134411 [0,1,0,0,0,0|2,0,1]=4 90 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S161422 [0,1,0,0,0,0|1,0,0]=2 91 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S303159 [0,1,0,0,0,0|1,0,0]=2 92 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A100535 [0,1,0,0,0,0|2,0,0]=3 93 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117161 [0,1,0,0,0,0|2,0,0]=3 94 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117210 [0,1,0,0,0,0|2,0,0]=3 95 B10R0.98 CC(=O)OCCC(C(=O)O)N O351769 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.23 C1=CSC=C1C(C(=O)O)N S136294 [0,0,0,1,0,0|2,0,1]=4 97 B10R1.23 C1CCC(C1)C(C(=O)O)N L133201 [0,0,0,1,0,0|1,0,2]=4 98 B10R1.113 C1CC(CC(=O)C1)C(=O)O O191300 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.113 C1CC(NC(=O)C1)C(=O)O O121564 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.113 C1CC(NC(=O)C1)C(=O)O O349934 [0,0,0,1,0,0|2,0,0]=3 101 B10R1.113 CC1=NCCC(N1)C(=O)O E292674 [0,0,0,1,0,0|2,0,1]=4 102 B10R1.113 CC1=NCCC(N1)C(=O)O E305040 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.363 C1CCC(CC1)(C(=O)O)N A101237 [0,0,0,1,0,0|1,0,2]=4 104 B10R0.6 C(CCN)CC(CC(=O)O)N L183473 [0,0,0,0,0,1|2,0,1]=4 105 B7R0.1 C(CCC=O)CC=O A302164 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.1 C=CCCCCC=C O159998 [2,0,0,0,0,0|2,0,0]=4 107 B7R0.1 C=CCCCCCO H156869 [2,0,0,0,0,0|1,0,1]=4 108 B7R0.1 C=CCSSCC=C D109400 [2,0,0,0,0,0|2,0,0]=4 109 B7R0.4 C#CCCCC(=O)O H111132 [2,0,0,0,0,0|0,0,2]=4 110 B7R0.4 C(CC#N)CC(=O)O C184246 [2,0,0,0,0,0|1,0,1]=4 111 B7R0.4 C(CCBr)CC(=O)O B106966 [2,0,0,0,0,0|1,0,1]=4 112 B7R0.4 C(CCCl)CC(=O)O C153468 [2,0,0,0,0,0|1,0,1]=4 113 B7R0.4 C(CCN)CC(=O)O A107493 [2,0,0,0,0,0|1,0,1]=4 114 B7R0.4 C(CCN)CC(=O)O A151151 [2,0,0,0,0,0|1,0,1]=4 115 B7R0.4 C(CCN)CC(=O)O A151349 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.4 C(CCN)CC(=O)O A491891 [2,0,0,0,0,0|1,0,1]=4 117 B7R0.4 C(CCN)CC(=O)O A491894 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.4 C=CCCCC(=O)O H157078 [2,0,0,0,0,0|0,0,0]=2 119 B7R0.4 CCCCCC(=O)O H103630 [2,0,0,0,0,0|0,0,2]=4 120 B7R0.4 CCCCCC(=O)O H103631 [2,0,0,0,0,0|0,0,2]=4 121 B7R0.4 CCCCCC(=O)O H103632 [2,0,0,0,0,0|0,0,2]=4 122 B7R0.4 CCCCCC(=O)O H278778 [2,0,0,0,0,0|0,0,2]=4 123 B7R0.4 CCCCCC(=O)O H432079 [2,0,0,0,0,0|0,0,2]=4 124 B7R0.4 CCOCCC(=O)O E156172 [2,0,0,0,0,0|0,1,1]=4 125 B7R0.4 CNCCCC(=O)O M276212 [2,0,0,0,0,0|1,0,1]=4 126 B7R0.4 CNCCCC(=O)O M397624 [2,0,0,0,0,0|1,0,1]=4 127 B7R0.4 COCCCC(=O)O M192558 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.5 C#CCC(C(=O)O)N D133969 [2,0,0,0,0,0|0,0,2]=4 129 B7R0.5 C#CCC(C(=O)O)N R192202 [2,0,0,0,0,0|0,0,2]=4 130 B7R0.5 C#CCC(C(=O)O)N R304808 [2,0,0,0,0,0|0,0,2]=4 131 B7R0.5 C#CCC(C(=O)O)N S168837 [2,0,0,0,0,0|0,0,2]=4 132 B7R0.5 C(CBr)C(C(=O)O)N A101191 [2,0,0,0,0,0|1,0,0]=3 133 B7R0.5 C(CN)C(C(=O)O)N D102446 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.5 C(CN)C(C(=O)O)N D113499 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.5 C(CN)C(C(=O)O)N D117019 [2,0,0,0,0,0|1,0,0]=3 136 B7R0.5 C(CN)C(C(=O)O)O H181248 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.5 C(CN)C(C(=O)O)O S161042 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.5 C(CO)C(C(=O)O)N H100541 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.5 C(CO)C(C(=O)O)N H101557 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.5 C(CO)C(C(=O)O)N H105430 [2,0,0,0,0,0|1,0,0]=3 141 B7R0.5 C(CO)C(C(=O)O)N L425384 [2,0,0,0,0,0|1,0,0]=3 142 B7R0.5 C(CS)C(C(=O)O)N H106297 [2,0,0,0,0,0|1,0,0]=3 143 B7R0.5 C(CS)C(C(=O)O)N L134501 [2,0,0,0,0,0|1,0,0]=3 144 B7R0.5 C=CCC(C(=O)O)N A115225 [2,0,0,0,0,0|0,0,0]=2 145 B7R0.5 C=CCC(C(=O)O)N D101189 [2,0,0,0,0,0|0,0,0]=2 146 B7R0.5 C=CCC(C(=O)O)N D107871 [2,0,0,0,0,0|0,0,0]=2 147 B7R0.5 C=CCC(C(=O)O)N S101123 [2,0,0,0,0,0|0,0,0]=2 148 B7R0.5 C=CCC(C(=O)O)N S161223 [2,0,0,0,0,0|0,0,0]=2 149 B7R0.5 CC(CC=C)C(=O)O M111848 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.5 CCCC(C(=O)O)Br B152768 [2,0,0,0,0,0|1,0,1]=4 151 B7R0.5 CCCC(C(=O)O)N N100542 [2,0,0,0,0,0|0,0,1]=3 152 B7R0.5 CCCC(C(=O)O)N N106191 [2,0,0,0,0,0|0,0,1]=3 153 B7R0.5 CCCC(C(=O)O)N N106215 [2,0,0,0,0,0|0,0,1]=3 154 B7R0.5 CCCC(C(=O)O)O S193305 [2,0,0,0,0,0|1,0,1]=4 155 B7R0.5 CCCC(C)C(=O)O B300596 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.5 CCCC(C)C(=O)O M117868 [2,0,0,0,0,0|1,0,1]=4 157 B7R0.5 CCCC(C)C(=O)O M427193 [2,0,0,0,0,0|1,0,1]=4 158 B7R0.5 CCSC(C)C(=O)O E168418 [2,0,0,0,0,0|1,0,1]=4 159 B7R0.5 CNCC(C(=O)O)N S132658 [2,0,0,0,0,0|1,0,0]=3 160 B7R0.5 COCC(C(=O)O)Cl C133763 [2,0,0,0,0,0|1,1,0]=4 161 B7R0.5 COCC(C(=O)O)N S135785 [2,0,0,0,0,0|0,1,0]=3 162 B7R0.5 CSCC(C(=O)O)N M116973 [2,0,0,0,0,0|0,0,0]=2 163 B7R0.5 C[Se]CC(C(=O)O)N S161277 [2,0,0,0,0,0|0,1,0]=3 164 B9R0.2 C=CCCCCCC(=O)O O168152 [1,1,0,0,0,0|1,0,0]=3 165 B9R0.2 CC(=O)OCCCCC=C H157305 [1,1,0,0,0,0|2,0,0]=4 166 B9R0.55 C(C(=O)O)SSCC(=O)O D113563 [1,1,0,0,0,0|2,0,0]=4 167 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [1,1,0,0,0,0|2,0,0]=4 168 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [1,1,0,0,0,0|2,0,0]=4 169 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [1,1,0,0,0,0|2,0,0]=4 170 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [1,1,0,0,0,0|2,0,0]=4 171 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [1,1,0,0,0,0|2,0,0]=4 172 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [1,1,0,0,0,0|2,0,0]=4 173 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [1,1,0,0,0,0|2,0,0]=4 174 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [1,1,0,0,0,0|2,0,0]=4 175 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.55 CC(=O)CCCCC(=O)O O135071 [1,1,0,0,0,0|1,0,1]=4 177 B9R0.7 C(C(C(=O)O)N)NC(=O)N L344148 [1,1,0,0,0,0|2,0,0]=4 178 B9R0.7 C(CC(=O)N)C(C(=O)N)N L355054 [1,1,0,0,0,0|2,0,0]=4 179 B9R0.7 C(CC(=O)N)C(C(=O)O)N D107632 [1,1,0,0,0,0|1,0,0]=3 180 B9R0.7 C(CC(=O)N)C(C(=O)O)N D424964 [1,1,0,0,0,0|1,0,0]=3 181 B9R0.7 C(CC(=O)N)C(C(=O)O)N D425535 [1,1,0,0,0,0|1,0,0]=3 182 B9R0.7 C(CC(=O)N)C(C(=O)O)N G105425 [1,1,0,0,0,0|1,0,0]=3 183 B9R0.7 C(CC(=O)N)C(C(=O)O)N L424801 [1,1,0,0,0,0|1,0,0]=3 184 B9R0.7 C(CC(=O)N)C(C(=O)O)N L432948 [1,1,0,0,0,0|1,0,0]=3 185 B9R0.7 C(CC(=O)N)C(C(=O)O)N L471811 [1,1,0,0,0,0|1,0,0]=3 186 B9R0.7 C(CC(=O)N)C(C(=O)O)N S161022 [1,1,0,0,0,0|1,0,0]=3 187 B9R0.7 C(CC(=O)O)C(C(=O)O)N A590090 [1,1,0,0,0,0|1,0,0]=3 188 B9R0.7 C(CC(=O)O)C(C(=O)O)N G100444 [1,1,0,0,0,0|1,0,0]=3 189 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103978 [1,1,0,0,0,0|1,0,0]=3 190 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103979 [1,1,0,0,0,0|1,0,0]=3 191 B9R0.7 C(CC(=O)O)C(C(=O)O)N G107510 [1,1,0,0,0,0|1,0,0]=3 192 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111546 [1,1,0,0,0,0|1,0,0]=3 193 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111548 [1,1,0,0,0,0|1,0,0]=3 194 B9R0.7 C(CC(=O)O)C(C(=O)O)N G113196 [1,1,0,0,0,0|1,0,0]=3 195 B9R0.7 C(CC(=O)O)C(C(=O)O)N G117739 [1,1,0,0,0,0|1,0,0]=3 196 B9R0.7 C(CC(=O)O)C(C(=O)O)N G301751 [1,1,0,0,0,0|1,0,0]=3 197 B9R0.7 C(CC(=O)O)C(C(=O)O)N L424802 [1,1,0,0,0,0|1,0,0]=3 198 B9R0.7 C(CC(=O)O)C(C(=O)O)N P420080 [1,1,0,0,0,0|1,0,0]=3 199 B9R0.7 C(CC(=O)O)C(C(=O)O)N S161021 [1,1,0,0,0,0|1,0,0]=3 200 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L355121 [1,1,0,0,0,0|1,0,0]=3 201 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L478518 [1,1,0,0,0,0|1,0,0]=3 202 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108801 [1,1,0,0,0,0|1,0,0]=3 203 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108802 [1,1,0,0,0,0|1,0,0]=3 204 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])N L465222 [1,1,0,0,0,0|1,0,1]=4 205 B9R0.7 CC(=O)OCC(C(=O)O)N O159915 [1,1,0,0,0,0|0,1,1]=4 206 B9R0.7 CC(=O)OCC(C(=O)O)N O303851 [1,1,0,0,0,0|0,1,1]=4 207 B9R0.7 CC(CCC(=O)O)C(=O)O M136432 [1,1,0,0,0,0|2,0,0]=4 208 B9R0.7 CS(=O)CCC(C(=O)O)N L134616 [1,1,0,0,0,0|1,0,1]=4 209 B9R0.7 CS(=O)CCC(C(=O)O)N S161195 [1,1,0,0,0,0|1,0,1]=4 210 B9R0.7 C[S+](C)CCC(C(=O)O)N L354322 [1,1,0,0,0,0|1,0,1]=4 211 B9R0.7 C[S+](C)CCC(C(=O)O)N S161187 [1,1,0,0,0,0|1,0,1]=4 212 B11R0.29 B(CCSCC(C(=O)O)N)(O)O B413875 [0,2,0,0,0,0|1,0,1]=4 213 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A100356 [0,2,0,0,0,0|2,0,0]=4 214 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103103 [0,2,0,0,0,0|2,0,0]=4 215 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103484 [0,2,0,0,0,0|2,0,0]=4 216 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103485 [0,2,0,0,0,0|2,0,0]=4 217 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103486 [0,2,0,0,0,0|2,0,0]=4 218 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A108220 [0,2,0,0,0,0|2,0,0]=4 219 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A109212 [0,2,0,0,0,0|2,0,0]=4 220 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A110423 [0,2,0,0,0,0|2,0,0]=4 221 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A117772 [0,2,0,0,0,0|2,0,0]=4 222 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A117773 [0,2,0,0,0,0|2,0,0]=4 223 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A118651 [0,2,0,0,0,0|2,0,0]=4 224 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A137768 [0,2,0,0,0,0|2,0,0]=4 225 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N D351356 [0,2,0,0,0,0|2,0,0]=4 226 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N D425650 [0,2,0,0,0,0|2,0,0]=4 227 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L170343 [0,2,0,0,0,0|2,0,0]=4 228 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L185231 [0,2,0,0,0,0|2,0,0]=4 229 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L274353 [0,2,0,0,0,0|2,0,0]=4 230 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L420636 [0,2,0,0,0,0|2,0,0]=4 231 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L425810 [0,2,0,0,0,0|2,0,0]=4 232 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L474020 [0,2,0,0,0,0|2,0,0]=4 233 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N C109228 [0,2,0,0,0,0|2,0,0]=4 234 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N D134396 [0,2,0,0,0,0|2,0,0]=4 235 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N D134801 [0,2,0,0,0,0|2,0,0]=4 236 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N D425187 [0,2,0,0,0,0|2,0,0]=4 237 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N L303962 [0,2,0,0,0,0|2,0,0]=4 238 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N L423677 [0,2,0,0,0,0|2,0,0]=4 239 B11R0.29 C(CCC(=O)O)CC(C(=O)O)N A589712 [0,2,0,0,0,0|1,0,1]=4 240 B11R0.29 CC(=O)NCSCC(C(=O)O)N A109568 [0,2,0,0,0,0|0,0,1]=3 241 B9R1.13 C1=CSC(=C1)CC(=O)O T113850 [1,0,0,1,0,0|0,0,2]=4 242 B9R1.13 C1CC(C=C1)CC(=O)O C167097 [1,0,0,1,0,0|1,0,0]=3 243 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.35 C1C(NC(=O)S1)C(=O)O S161109 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.35 C1CC(=O)CC1C(=O)O S177273 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.35 C1CC(=O)NC1C(=O)O H427210 [1,0,0,1,0,0|1,0,0]=3 247 B9R1.35 C1CC(=O)NC1C(=O)O P106003 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.35 C1CC(=O)NC1C(=O)O P106004 [1,0,0,1,0,0|1,0,0]=3 249 B9R1.35 C1CC(=O)NC1C(=O)O P106190 [1,0,0,1,0,0|1,0,0]=3 250 B9R1.35 C1CC(=O)NC1C(=O)O P106219 [1,0,0,1,0,0|1,0,0]=3 251 B9R1.35 C1CC(=O)NC1C(=O)[O-] L303332 [1,0,0,1,0,0|1,0,1]=4 252 B9R1.35 C1CC(=O)NC1C(=O)[O-] S300331 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [1,0,0,1,0,0|2,0,0]=4 254 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [1,0,0,1,0,0|2,0,0]=4 255 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.69 C1CC(=O)NC(=O)C1N A175882 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.69 C1CC(=O)NC(=O)C1N A303287 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.69 C1CC(=O)NC(=O)C1N A588312 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.69 C1CC(=O)NC(=O)C1N S588414 [1,0,0,1,0,0|2,0,0]=4 260 B9R1.112 C1CC1CC(C(=O)O)N C117163 [1,0,0,1,0,0|0,0,2]=4 261 B9R1.112 C1CC1CC(C(=O)O)N C117208 [1,0,0,1,0,0|0,0,2]=4 262 B9R1.163 C1CCC(C1)(C(=O)O)N A151472 [1,0,0,1,0,0|0,0,2]=4 263 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N D346526 [0,1,0,1,0,0|2,0,0]=4 264 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H105705 [0,1,0,1,0,0|2,0,0]=4 265 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H106210 [0,1,0,1,0,0|2,0,0]=4 266 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H106211 [0,1,0,1,0,0|2,0,0]=4 267 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H106212 [0,1,0,1,0,0|2,0,0]=4 268 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H108260 [0,1,0,1,0,0|2,0,0]=4 269 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H108261 [0,1,0,1,0,0|2,0,0]=4 270 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H108262 [0,1,0,1,0,0|2,0,0]=4 271 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H111055 [0,1,0,1,0,0|2,0,0]=4 272 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H117212 [0,1,0,1,0,0|2,0,0]=4 273 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H586116 [0,1,0,1,0,0|2,0,0]=4 274 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N L424948 [0,1,0,1,0,0|2,0,0]=4 275 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N L425627 [0,1,0,1,0,0|2,0,0]=4 276 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N P341592 [0,1,0,1,0,0|2,0,0]=4 277 B11R1.35 C1=COC(=C1)CC(C(=O)O)N H356423 [0,1,0,1,0,0|0,1,1]=4 278 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T135712 [0,1,0,1,0,0|0,0,1]=3 279 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T464847 [0,1,0,1,0,0|0,0,1]=3 280 B11R1.35 C1=CSC=C1CC(C(=O)O)N B301218 [0,1,0,1,0,0|1,0,1]=4 281 B11R1.36 C1C=CCC(=C1)C(C(=O)O)N R137145 [0,1,0,1,0,0|1,0,1]=4 282 B11R1.175 C1C(NC(S1)C(=O)O)C(=O)O T162357 [0,1,0,1,0,0|1,0,0]=3 283 B11R2.845 C1C2CC(C1C=C2)C(=O)O E469877 [0,0,0,2,0,0|2,0,0]=4 284 B11R2.845 C1C2CC(C1C=C2)C(=O)O N111450 [0,0,0,2,0,0|2,0,0]=4