0 B8R0.9 BC(=O)NCC(=O)OC R277398 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 C=C(C)CNC(=O)CCl PH008781 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.9 C=C(C)CNC(=S)NC R750247 [0,0,0,0,0,0|3,1,0]=4 5 B8R0.9 CC(=NO)CCC(=O)O S354201 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.9 CCC(=O)COC(=O)C S362409 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.9 COC(=O)CNC(=O)C S785687 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.9 COC(=O)NCC(=O)O CDS020780 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.9 CSC(=S)NNC(=O)C S986798 [0,0,0,0,0,0|2,2,0]=4 13 B8R0.9 NCC(=O)NCC(=O)O S456829 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.9 O=C(O)CNC(=O)CCl S451770 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.3 C=C(CC)CCCC CDS000215 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.3 CCC#CC(=O)OC T242845 [1,0,0,0,0,0|0,0,3]=4 17 B7R0.3 CCOCC(=O)OC EME00071 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.3 CNCCC(=O)NC CBR01261 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.3 COC(=O)CCC#N S369640 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.3 COCCC(=O)NN CDS018970 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 C=C=CCCC(=O)O CVT00110 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.4 COCCCC(C)O S671169 [1,0,0,0,0,0|0,0,3]=4 27 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|1,1,1]=4 28 B7R0.4 CSCCOC(=O)C S375721 [1,0,0,0,0,0|1,1,1]=4 29 B7R0.6 C=C(C)COC(=O)N S352055 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.6 C=C(Cl)CSC(=O)C SYX00321 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.6 CC(C)CCC(=O)Cl PH015411 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.6 CC(C)SCC(=O)O OTV000315 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.6 CN(C)CCC(=O)O CDS000423 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.6 CN(C)CCC(=O)O CDS013778 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.6 CS(=O)CCS(=O)C PH008108 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.6 NC(=O)NCC(=O)O L100056 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.6 NC(=S)NCC(=O)O S521191 [1,0,0,0,0,0|2,1,0]=4 39 B7R0.6 O=C(O)CCC(=O)O S427594 [1,0,0,0,0,0|1,0,0]=2 40 B9R0.7 CC(=O)NCC(=O)N(C)C EME00400 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.7 CC(Br)C(=O)NCC(=O)O S342742 [0,1,0,0,0,0|3,0,0]=4 42 B9R0.7 CC(C)C(=O)NCC(=O)O CDS012058 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.7 CN(C)C(=O)CCC(=O)O PH010983 [0,1,0,0,0,0|2,0,0]=3 45 B9R0.21 COC(=O)CCS(=O)(=O)Cl CDS012396 [0,1,0,0,0,0|2,0,0]=3 46 B9R0.21 COC(=O)CCS(=O)(=O)N PH010251 [0,1,0,0,0,0|2,0,0]=3 47 B9R0.21 COC(=O)CSC(C)(C)C EME00019 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.23 C=C(CC(=O)O)C(=O)OC R434264 [0,1,0,0,0,0|1,0,1]=3 49 B9R0.23 COC(=O)C(N)CC(=O)O CDS006063 [0,1,0,0,0,0|1,0,0]=2 50 B9R0.23 COC(=O)C(O)CC(=O)O CDS005345 [0,1,0,0,0,0|1,0,0]=2 51 B9R0.23 COC(=O)[C@@H](N)CC(C)C PH010827 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.23 O=C(O)CC(Br)C(=O)CBr S563242 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.23 [C@@H](C)(NC(=O)C)C(=O)OC S933279 [0,1,0,0,0,0|1,0,0]=2 54 B9R0.24 CCC(=O)NNC(=O)CC S889598 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.24 CNC(=O)CCC(=O)NC S374857 [0,1,0,0,0,0|1,0,0]=2 56 B9R0.24 CNC(=O)NNC(=O)NC PH007224 [0,1,0,0,0,0|3,0,0]=4 57 B9R0.24 COC(=O)CNC(=O)CN R701602 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.24 COC(=O)N/N=C(\C)/CCl R277517 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.42 C=C(CC(=O)OC)C(=O)O S295248 [0,1,0,0,0,0|1,0,1]=3 60 B9R0.42 C=C(CC(=O)OC)C(=O)O S950076 [0,1,0,0,0,0|1,0,1]=3 61 B9R0.42 COC(=O)CN(C)[N+](=O)[O-] PH009505 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.48 C=C(C)CNC(=O)NCC S805793 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.48 C=C(C)CNC(=O)OCC S36022 [0,1,0,0,0,0|2,0,0]=3 64 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [0,1,0,0,0,0|1,0,1]=3 65 B9R0.48 CCOC(=S)SCC(=O)O S390321 [0,1,0,0,0,0|2,1,0]=4 66 B9R0.48 NCCC(=O)NCC(=O)O S451169 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 COC1CC=C(CC1)C T196010 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.10 O=C1CCS(=O)(=O)CC1 SYX00405 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.35 C=C(Br)C1COC(=O)C1 T254126 [0,0,0,1,0,0|1,0,1]=3 70 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.69 CC1CCC(=O)C(C1)C T295450 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.69 CN1CC(=O)NCC1=O PH008413 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.185 CCC(=O)C1CC1(C)C CDS023554 [0,0,0,1,0,0|2,0,1]=4 74 B7R0.2 CNC(=O)CC(=N)N CBR01542 [0,0,0,0,1,0|3,0,0]=4 75 B7R0.2 CNC(=O)NC(=O)C S411868 [0,0,0,0,1,0|2,0,0]=3 76 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,0,0,0,1,0|1,0,1]=3 77 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,0,0,0,1,0|0,0,2]=3 78 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,0,0,0,1,0|1,0,0]=2 79 B7R0.2 COC(=O)CC(C)Cl S559458 [0,0,0,0,1,0|1,0,1]=3 80 B7R0.2 COC(=O)NC(=O)N S876178 [0,0,0,0,1,0|2,0,0]=3 81 B7R0.2 COC(=O)NC(C)C PH006940 [0,0,0,0,1,0|2,0,1]=4 82 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,0,0,0,1,0|2,1,0]=4 83 B9R0.1 C=C(Br)CCCC(=O)OC T287547 [0,0,0,0,0,1|1,0,1]=3 84 B9R0.1 COC(=O)CSCC(=O)C PH010376 [0,0,0,0,0,1|0,0,0]=1 85 B9R0.1 COC(C)CCOC(=O)C CDS000509 [0,0,0,0,0,1|1,0,1]=3 86 B9R0.1 NCC(=O)NCCC(=O)O S601128 [0,0,0,0,0,1|3,0,0]=4 87 B6R0.1 C(=O)CC(C)OC T278319 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.1 CCC(=O)COC CDS024044 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.1 CCOC(=O)NC PH010865 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.1 CCSC(=O)CC CDS001498 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.1 CNCC(=O)NC CBR00235 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.1 CNCC(=O)OC PH006931 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.1 COC(=O)/C=C\I SYX00331 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.1 [Li]OC(=O)CCC S813958 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.4 C=CCNC(=O)C EME00415 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.4 COCCC(=N)N CBR01198 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|1,1,0]=4 101 B6R0.4 N#CCCC(=O)O CDS009069 [2,0,0,0,0,0|1,0,1]=4 102 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|0,1,1]=4 103 B6R0.6 COCCCC=O CDS022820 [2,0,0,0,0,0|0,0,1]=3 104 B6R0.6 COCCNC=O PH007296 [2,0,0,0,0,0|1,0,1]=4 105 B8R0.1 C=CCNC(=O)OCC S361445 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.1 CCCCC(=O)CCC S456489 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.1 CCCNC(=O)OCC S361909 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.1 CCOC(=O)CCC#N PH003642 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.1 CCOC(=O)CCOC CDS025273 [1,1,0,0,0,0|1,0,0]=3 110 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,1,0,0,0,0|0,0,1]=3 112 B8R0.6 C#CCCCC(=O)OC T287598 [1,1,0,0,0,0|0,0,2]=4 113 B8R0.6 CCC/C=C/C(=O)OC R436038 [1,1,0,0,0,0|0,0,2]=4 114 B8R0.6 CCCCCC(=O)SC CDS010601 [1,1,0,0,0,0|0,1,1]=4 115 B8R0.6 CCCCNC(=O)OC S352683 [1,1,0,0,0,0|0,0,1]=3 116 B8R0.6 CCOCCC(=O)OC PH000125 [1,1,0,0,0,0|0,0,1]=3 117 B8R0.6 CCSCCC(=O)OC S365688 [1,1,0,0,0,0|0,0,1]=3 118 B8R0.6 COC(=O)CCN=C=O PH010957 [1,1,0,0,0,0|0,0,1]=3 119 B8R0.6 COC(=O)CNCC#N CDS021131 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.6 COC(=O)NCCC#N T284297 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.8 CCCCC(=O)N(C)C S939811 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.8 COCCC(=O)C(C)C CDS024032 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.5 C=C(C)CC(O)/C=C/C S504947 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.7 C(=O)OCCCC(=O)C R396036 [1,1,0,0,0,0|0,0,2]=4 125 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.28 CC(=O)CCOC(=O)C PH003361 [1,1,0,0,0,0|2,0,0]=4 128 B8R0.23 C=C(C)CC(O)C(=C)C S417793 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.23 CC(=O)/C(=C/C(=O)O)/C S548960 [1,1,0,0,0,0|0,0,2]=4 130 B8R0.23 CC(=O)C(C)CC(=O)O CDS000200 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.23 CC(=O)NC(C)C(=O)N S784060 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.23 CC(=O)NC(C)C(=O)O S783099 [1,1,0,0,0,0|1,0,0]=3 133 B8R0.23 CC(=O)ON(C)C(=O)C S295159 [1,1,0,0,0,0|2,0,0]=4 134 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.23 CC(CC(=O)O)N(C)C CBR00883 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.23 CC(CN(C)C)C(=O)O CBR01551 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.23 NC(=O)CC(Br)C(=O)O PH007627 [1,1,0,0,0,0|1,0,0]=3 140 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] S518085 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] S600768 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.23 OC(=O)[C@H](O)CC(=O)N PH009423 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.29 CC(=O)CC[N+](C)(C)C S915017 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.29 CC(=O)CNS(=O)(=O)C PH018857 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.29 CC(C)(C)CCC(=O)O CDS009242 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.29 CC(C)(N)CCC(=O)O T160458 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.29 CS(=O)(=O)NCC(=O)O CBR00180 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.29 NS(=O)(=O)CCC(=O)O CDS023249 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.2 COC(=O)C(N)C(C)O S765430 [0,1,0,0,1,0|0,0,2]=4 150 B8R0.2 COC(=O)C(O)C(C)C CDS021214 [0,1,0,0,1,0|1,0,1]=4 151 B8R0.24 COC(=O)CS(=O)(=O)Cl CDS019686 [0,1,0,0,1,0|2,0,0]=4 152 B8R0.34 COC(C)(C)CC(=O)C CDS001275 [0,1,0,0,1,0|1,0,1]=4 153 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [0,1,0,0,0,1|1,0,0]=3 154 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [0,1,0,0,0,1|2,0,0]=4 155 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] PH017280 [0,1,0,0,0,1|2,0,0]=4 156 B10R0.3 CCOC(=O)CCNC(=O)N S859575 [0,1,0,0,0,1|1,0,0]=3 157 B10R0.3 CCOC(=O)COCC(C)C T332593 [0,1,0,0,0,1|1,0,1]=4 158 B10R0.3 CCOC(=S)SCCC(=O)O PH006943 [0,1,0,0,0,1|1,1,0]=4 159 B10R0.3 NCCC(=O)NCCC(=O)O PH009697 [0,1,0,0,0,1|2,0,0]=4 160 B10R0.44 COC(=O)/C=C(\C)/OC(=O)C S600717 [0,1,0,0,0,1|0,0,2]=4 161 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N CDS003704 [0,1,0,0,0,1|1,0,0]=3 162 B10R0.59 COC(=O)NCNC(=O)OC S608270 [0,1,0,0,0,1|1,0,0]=3 163 B10R0.60 COC(=O)CCN[N+](C)(C)C S196320 [0,1,0,0,0,1|2,0,0]=4 164 B10R0.98 CC(N)C(=O)NCCC(=O)N S784176 [0,1,0,0,0,1|2,0,0]=4 165 B10R0.98 CC(N)C(=O)NCCC(=O)O S784141 [0,1,0,0,0,1|2,0,0]=4 166 B10R0.13 CC(=O)NC(C)C(=O)N(C)C EME00398 [0,2,0,0,0,0|2,0,0]=4 167 B10R0.37 COC(=O)C(O)CC(C)(C)C CDS021305 [0,2,0,0,0,0|1,0,1]=4 168 B10R0.32 CCOC(=O)/C(=C/C(=O)C)/[O-] S759791 [0,2,0,0,0,0|0,0,2]=4 169 B10R0.32 CCOC(=O)C(N)CC(C)C S846015 [0,2,0,0,0,0|1,0,1]=4 170 B10R0.32 CCOC(=O)C(O)CC(C)C CDS000270 [0,2,0,0,0,0|1,0,1]=4 171 B10R0.32 CCOC(=O)N(C)CC(=O)O PH000513 [0,2,0,0,0,0|2,0,0]=4 172 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC S598895 [0,2,0,0,0,0|1,0,1]=4 173 B10R0.46 COC(=O)CC(Br)C(=O)OC PH007961 [0,2,0,0,0,0|0,0,0]=2 174 B10R0.46 COC(=O)CC(N)C(=O)OC S787213 [0,2,0,0,0,0|0,0,0]=2 175 B10R0.46 COC(=O)CC(O)C(=O)OC S379239 [0,2,0,0,0,0|0,0,0]=2 176 B10R0.46 [NH4]OC(=O)CC(O)C(=O)O[NH4] S520101 [0,2,0,0,0,0|2,0,0]=4 177 B10R0.56 COC(=O)[C@@H](O)[C@H](O)C(=O)O PH008037 [0,2,0,0,0,0|1,0,0]=3 178 B10R0.56 COC(=O)[C@H](O)[C@@H](O)C(=O)O PH008150 [0,2,0,0,0,0|1,0,0]=3 179 B10R0.141 C=C(Cl)CC(C)(C)C(=O)OC R278726 [0,2,0,0,0,0|1,0,1]=4 180 B10R0.26 CCOC(=O)CC(N)C(=O)O S108782 [0,2,0,0,0,0|1,0,0]=3 181 B10R0.26 CCOC(=O)CC(N)C(=O)O S334383 [0,2,0,0,0,0|1,0,0]=3 182 B10R0.26 CCOC(=O)CC(N)C(C)C CBR00804 [0,2,0,0,0,0|1,0,1]=4 183 B10R0.47 COC(=O)OC(C)(C)C(=O)C S303666 [0,2,0,0,0,0|1,0,0]=3 184 B10R0.96 CC(C)NC(=O)CCC(=O)O R698733 [0,2,0,0,0,0|2,0,0]=4 185 B10R0.105 CC(=O)CCS(=O)(=O)CCCl S28674 [0,2,0,0,0,0|2,0,0]=4 186 B10R0.105 CC(=O)CCS(=O)(=O)CCCl S28828 [0,2,0,0,0,0|2,0,0]=4 187 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.3 CC1=NNC(=O)CC1 R750921 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.22 O=C1CCSCCN1 SYX00233 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.38 COC(=O)C1CCC1 S851957 [1,0,0,1,0,0|0,0,1]=3 192 B8R1.38 COC(=O)C1CNC1 CDS005119 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.50 CC1C(=O)COC1=O S839418 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.83 COC(=O)C1CC1C EME00059 [1,0,0,1,0,0|0,0,1]=3 195 B8R1.4 CC1=CCCC(=O)C1 PH000095 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.23 O=C(O)C1CC(C1)F CDS023094 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [1,0,0,1,0,0|0,0,2]=4 198 B8R1.23 O=C1CC(C1)C(=O)O CDS004694 [1,0,0,1,0,0|0,0,0]=2 199 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [1,0,0,1,0,0|1,0,1]=4 201 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [0,0,0,1,0,1|1,0,1]=4 202 B10R1.14 COC(=O)C1CCC(=O)C1 SYX00133 [0,0,0,1,0,1|0,0,0]=2 203 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)F OMC00007 [0,0,0,1,0,1|1,0,1]=4 204 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 T272566 [0,0,0,1,0,1|1,0,1]=4 205 B10R1.79 O=C1COCC(=O)O[Ca]O1 S986437 [0,0,0,1,0,1|2,0,0]=4 206 B10R1.194 CC(=O)C1COC(=O)C1=O PH009433 [0,0,0,1,0,1|2,0,0]=4 207 B10R1.194 CC1C(=O)CCC1C(=O)O PH018686 [0,0,0,1,0,1|2,0,0]=4 208 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O PH009688 [0,0,0,1,0,1|1,0,0]=3 209 B10R1.58 CN1CC(CC1=O)C(=O)N PH010329 [0,1,0,1,0,0|2,0,0]=4 210 B10R1.58 CN1CC(CC1=O)C(=O)O PH009903 [0,1,0,1,0,0|2,0,0]=4 211 B10R1.332 CN1CCC(=O)CCC1=O PH018619 [0,1,0,1,0,0|1,0,0]=3 212 B10R1.413 COC(=O)C1CS(=O)(=O)N1 PH015983 [0,1,0,1,0,0|2,0,0]=4 213 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,1,0,0|1,0,0]=3 214 B10R1.64 O=C(O)CN1CCOC1=O CBR00228 [0,1,0,1,0,0|2,0,0]=4 215 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,1,0,1,0,0|1,0,0]=3 216 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,1,0,1,0,0|1,0,1]=4 217 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [0,1,0,1,0,0|1,0,1]=4 218 B10R1.59 C[C@H]1OC(=O)N[C@@H]1C(=O)O PH017276 [0,1,0,1,0,0|2,0,0]=4 219 B10R1.140 CCOC(=O)C1CC(=O)C1 T160598 [0,1,0,1,0,0|0,0,0]=2 220 B10R2.64 [C@H]12C=C(C[C@H]1C(=O)C2)C T227846 [0,0,0,2,0,0|2,0,0]=4 221 B6R0.2 CC(=N)CC(=O)C S366234 [1,0,0,0,1,0|1,0,0]=3 222 B6R0.2 CC(=O)SC(=O)C R425621 [1,0,0,0,1,0|1,0,0]=3 223 B6R0.2 CC(=S)CC(=O)N S704164 [1,0,0,0,1,0|1,1,0]=4 224 B6R0.2 CC(Cl)CC(=O)O S419621 [1,0,0,0,1,0|1,0,1]=4 225 B6R0.2 NC(=O)CC(=O)O S937436 [1,0,0,0,1,0|1,0,0]=3 226 B6R0.3 COC(=O)C(C)N S378909 [0,0,0,0,2,0|1,0,1]=4 227 B6R0.3 O=C(O)C(=O)O[Cs] S366196 [0,0,0,0,2,0|2,0,0]=4 228 B10R0.55 C(=C/C(=O)OC)\CCC(=C)C T252778 [0,0,0,0,0,2|1,0,0]=3 229 B10R0.55 COC(=O)CCCNC(=N)N S784184 [0,0,0,0,0,2|2,0,0]=4 230 B10R0.55 COC(=O)CNCCN(C)C CDS023468 [0,0,0,0,0,2|2,0,0]=4