0 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 CCCCC(C)C(C)O S374199 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 CCCCC(N)C(=O)N CDS003890 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 NCCCC(N)C(=O)O S594881 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.3 C(=O)C(=C)CCCC R425885 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.3 CCCCC(N)CC CDS021471 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.3 CCCN[C@@H](C)CO PH014617 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 CCCN[C@H](C)CO PH014618 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 CCSCC(O)CO R161446 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.3 CCSCC(O)CO S327050 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 C=C(Br)CCCCBr S881252 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 C=C=CCCC(=O)O CVT00110 [1,0,0,0,0,0|0,0,3]=4 15 B7R0.4 C=CCOCC(=O)O CDS023318 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.4 CC(=O)NCCCO OTV000276 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 CC(=O)OCCCS S786683 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.4 CCCCCC(=N)N CBR01197 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.4 CCCCCC(C)Cl CDS000285 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 CCCCNC(=S)N S565970 [1,0,0,0,0,0|2,1,0]=4 24 B7R0.4 CCCCSC(=N)N S500534 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.4 CCCCSC(=N)N S557153 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 CCO/C=C/C(=O)O CDS016341 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 CCOCCC(=N)N PH016244 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.4 COCCCC(C)O S671169 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.4 CSCCOC(=O)C S375721 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.4 N#CCCCC(=O)O CDS007802 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.4 N#CCSCC(=O)O EME00129 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.4 NC(=O)CCCCO S441481 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.4 NC(=O)COCCO S449792 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.4 NCCNCC(=O)O CDS000144 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.4 NCCOCC(=O)O T160229 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.5 C#CC[C@@H](N)C(=O)O CDS005053 [1,0,0,0,0,0|0,0,2]=3 42 B7R0.5 CC(=O)C(Cl)CCO S561894 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.5 CCCC(C)C(C)O S433373 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.5 CCOC(C)C(=O)O CBR01494 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.5 CCSC(C)C(=O)O CBR01403 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.5 CNCC(C)C(=O)O CBR01429 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.5 NCCC(N)C(=O)O PH018181 [1,0,0,0,0,0|1,0,0]=2 50 B9R0.6 CCCC(O)C(C)C(C)O S405051 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CDS020792 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.7 C[S+](C)CCC(N)C(=O)O S582026 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.7 C[S+](C)CCC(N)C(=O)O S859427 [0,1,0,0,0,0|1,0,0]=2 54 B9R0.7 NC(=O)CC[C@H](N)C(=O)N CDS008161 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.7 NC(=O)OCC(N)C(=O)O PH008887 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.7 NC(CCC(=O)O)C(=O)[O-] R464414 [0,1,0,0,0,0|1,0,2]=4 57 B9R0.7 NC(CCC(=O)[O-])C(=O)[O-] S595179 [0,1,0,0,0,0|1,0,2]=4 58 B9R0.7 [C@@H](N)(CCC(=O)N)C(=O)O S452084 [0,1,0,0,0,0|1,0,1]=3 59 B9R0.7 [C@H](N)(CCC(=O)[O-])C(=O)O S372226 [0,1,0,0,0,0|1,0,1]=3 60 B9R0.13 CCCC/C(=N\O)/C(=O)O PH007213 [0,1,0,0,0,0|0,0,2]=3 61 B9R0.42 CCN(C)CC(C)C(=O)O CBR01343 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.47 CC(NCCC#N)C(=O)O S114073 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.47 [C@@H](N)(CSCCO)C(=O)O PH010771 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.51 CCCCC(C)(C)C(=O)O PH000318 [0,1,0,0,0,0|1,0,0]=2 65 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,0,0,1,0,0|1,0,0]=2 66 B9R1.5 O=C1CCCCCC1=O PH003588 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.6 CC(C)C1CCCCN1 PH003734 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O CDS009904 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.35 O=C(O)[C@@H]1CC(CN1)O PH018681 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.40 CC1(CCCCC1O)O S352799 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.40 O=S1(=O)CCCCC1Cl T166502 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.112 N[C@@H](CC1CC1)C(=O)O CDS007244 [0,0,0,1,0,0|0,0,0]=1 85 B9R1.163 CC1(CCCC1)C(=O)N S11585 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.163 CC1(OCCO1)C(=O)O CBR01802 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.163 O=C(O)C1(CCCC1)O CBR00072 [0,0,0,1,0,0|1,0,0]=2 88 B9R1.163 O=C(O)C1(CCSC1)O PH001084 [0,0,0,1,0,0|2,0,0]=3 89 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,0,0,0,0,1|2,0,1]=4 90 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,0,0,0,0,1|2,0,1]=4 91 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,0,0,0,0,1|0,0,0]=1 92 B6R0.1 CCCC(N)CC CBR01120 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.4 CCCCC(=N)N PH017352 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.4 CCCCC(=S)N PH000512 [2,0,0,0,0,0|0,1,1]=4 95 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.4 CCNCC(=O)N S877379 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 CCNCC(=O)N S986194 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.4 N#CCCC(=O)O CDS009069 [2,0,0,0,0,0|1,0,1]=4 102 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.6 C=CCSCCC S357391 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.6 CCCSCCO S408859 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.6 CCSCCCO PH017932 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.6 COCCCC=O CDS022820 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.6 COCCNC=O PH007296 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.3 CC(CN)C(=O)O CDS014136 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 CC(CS)C(=O)O CDS000283 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.3 CCC(C)C(=O)N S799637 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.3 CCC(N)C(=O)N S784044 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.3 CCC(O)C(=O)O CDS000492 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.3 NCC(N)C(=O)O R278769 [2,0,0,0,0,0|1,0,0]=3 119 B8R0.1 C/C=C\C(O)CCCC S364290 [1,1,0,0,0,0|2,0,0]=4 120 B8R0.6 O=CCCCC(O)C=O PH009970 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.11 CCCCC(CC)CN CDS000347 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.19 CC[C@H](C)C[C@H](C)CO T297186 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.25 CCCCC(Cl)(Cl)C=O PH014412 [1,1,0,0,0,0|1,0,0]=3 124 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,1,0,0,0,0|0,0,0]=2 126 B8R0.7 C=CCOCCC(=O)O CDS000343 [1,1,0,0,0,0|0,0,2]=4 127 B8R0.7 CC(=O)NCCCCN CDS021099 [1,1,0,0,0,0|2,0,0]=4 128 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [1,1,0,0,0,0|0,0,1]=3 129 B8R0.7 CCCCCOC(=O)Cl CDS000346 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.7 CCCCOCC(=O)O CDS008145 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.7 CCCC[Hg]OC(=O)C S814512 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.7 CCCNCCC(=O)O OTV000481 [1,1,0,0,0,0|0,0,0]=2 133 B8R0.7 CCSCCCC(=O)O PH008798 [1,1,0,0,0,0|0,0,0]=2 134 B8R0.7 N#CCCNCC(=O)O R436143 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.7 NC(=O)CCCCCBr CDS003086 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.7 NCCCCCC(=O)N CDS015235 [1,1,0,0,0,0|1,0,0]=3 137 B8R0.7 NCCSCCC(=O)O PH011733 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.7 O=C(O)CCNCCO S888699 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.7 O=C(O)CCOCCO CDS021155 [1,1,0,0,0,0|1,0,0]=3 140 B8R0.21 CCCCCC(C)(C)O S431567 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.21 CCCCCS(=O)(=O)O PH018433 [1,1,0,0,0,0|1,0,0]=3 142 B8R0.21 CCCCNS(=O)(=O)O R159344 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.28 CC(=O)CCCC(=O)N PH008391 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|1,0,0]=3 145 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,1,0,0,0,0|0,0,0]=2 148 B8R0.28 CC(C)COCC(=O)O CDS014100 [1,1,0,0,0,0|1,0,0]=3 149 B8R0.28 CC(C)NCCC(=O)N CDS021106 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.28 NC(=O)CCCC(=O)O CBR00275 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [1,1,0,0,0,0|1,0,0]=3 153 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [1,1,0,0,0,0|1,0,0]=3 154 B8R0.2 O=C(O)C(Br)C(Br)CBr S881333 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.12 CCCC(C)(C)C(=O)C PH011400 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.12 CCCC(C)(O)C(=O)C PH007070 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.12 CSCC(C)(C)C(=O)O PH007648 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.14 CCCC(O)P(=O)(O)O PH007233 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.23 CC(C)CC(N)C(=O)N S788902 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.23 CC(C)C[C@H](N)C(=O)N CDS003478 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.23 CC(C)NC(C)C(=O)O PH010417 [1,1,0,0,0,0|2,0,0]=4 163 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.23 CC(CN(C)C)C(=O)O CBR01551 [1,1,0,0,0,0|2,0,0]=4 165 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,1,0,0,0,1|2,0,0]=4 166 B10R0.44 CC[C@@H](C)C[C@H](N)CC(=O)O PH001846 [0,1,0,0,0,1|0,0,0]=2 167 B10R0.43 CC(=O)CCC(C)(C)C(=O)O PH007646 [0,2,0,0,0,0|1,0,1]=4 168 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N CDS003704 [0,2,0,0,0,0|1,0,1]=4 169 B10R0.84 CCC(CCC(C)C)C(=O)N PH008853 [0,2,0,0,0,0|2,0,0]=4 170 B10R0.93 NC(CC(F)C(=O)O)C(=O)O R261505 [0,2,0,0,0,0|1,0,1]=4 171 B10R0.93 NC(CC(N)C(=O)O)C(=O)O S112348 [0,2,0,0,0,0|1,0,1]=4 172 B10R0.46 COC(=O)CC(N)C(=O)OC S787213 [0,2,0,0,0,0|1,0,1]=4 173 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [0,2,0,0,0,0|1,0,0]=3 174 B10R0.17 CCCCC(C(=O)C)C(C)C S351725 [0,2,0,0,0,0|2,0,0]=4 175 B10R0.17 CCCCC(C(=O)N)C(=O)N PH009401 [0,2,0,0,0,0|1,0,0]=3 176 B10R0.17 CCCCC(C(=O)O)C(C)C PH010077 [0,2,0,0,0,0|1,0,0]=3 177 B10R0.88 C(=O)NC(CCSC)C(=O)O S601047 [0,2,0,0,0,0|1,0,0]=3 178 B10R0.133 CCCCC(C)(CC)C(=O)O S876577 [0,2,0,0,0,0|1,0,0]=3 179 B10R0.26 CCOC(=O)CC(N)C(=O)O S108782 [0,2,0,0,0,0|0,0,1]=3 180 B10R0.26 CCOC(=O)CC(N)C(=O)O S334383 [0,2,0,0,0,0|0,0,1]=3 181 B10R0.42 C=CCCCC(C)(C)C(=O)O PH002545 [0,2,0,0,0,0|1,0,1]=4 182 B10R0.42 CCOCCC(C)(C)C(=O)O PH007502 [0,2,0,0,0,0|1,0,0]=3 183 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,2,0,0,0,0|0,0,0]=2 184 B10R0.98 CC(CCCC(=O)O)C(=O)O T271314 [0,2,0,0,0,0|1,0,1]=4 185 B10R0.98 NC(CSCC(=O)O)C(=O)O PH000114 [0,2,0,0,0,0|1,0,1]=4 186 B8R1.2 O=CC1CCCCO1 CDS019507 [1,0,0,1,0,0|1,0,0]=3 187 B8R1.2 O=CC1CCNCC1 CDS013816 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.2 O=CC1CCSCC1 CDS020250 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.3 CC1CCC(CC1)N T138053 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.5 NC1CCCNC1=O CDS020148 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [1,0,0,1,0,0|0,0,1]=3 194 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [1,0,0,1,0,0|0,0,1]=3 195 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [1,0,0,1,0,0|1,0,0]=3 197 B8R1.5 O=C1CCOCC1F SYX00096 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.5 OC1CCCCC1Br PH007482 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.50 CC1CCC(C1O)O S352810 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.4 CC1CCOS(=O)O1 S359173 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.7 NC(=O)C1CCCN1 CDS008010 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.7 O=C(O)C1CCNC1 CDS007406 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.19 CC1CCCS1(=O)=O S566659 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.34 O=C(O)C=C1CCC1 T165123 [1,0,0,1,0,0|0,0,2]=4 207 B8R1.34 O=C(O)CC1CNC1 PHB00031 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [1,0,0,1,0,0|0,0,2]=4 209 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.18 CC1CC(C(=O)O1)C S327565 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.23 O=C(O)C1CC(C1)F CDS023094 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.78 CC1(COC1)C(=O)O SYX00377 [1,0,0,1,0,0|2,0,0]=4 214 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,0,0,1,0,1|2,0,0]=4 215 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,0,0,1,0,1|2,0,0]=4 216 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,0,0,1,0,1|1,0,0]=3 217 B10R1.18 NC(=O)NC1CCCCC1 S375047 [0,0,0,1,0,1|2,0,0]=4 218 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,0,0,1,0,1|0,0,0]=2 219 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,0,0,1,0,1|2,0,0]=4 220 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,0,0,1,0,1|2,0,0]=4 221 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,0,0,1,0,1|2,0,0]=4 222 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,0,0,1,0,1|2,0,0]=4 223 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,0,0,1,0,1|2,0,0]=4 224 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,0,0,1,0,1|2,0,0]=4 225 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,0,0,1,0,1|2,0,0]=4 226 B10R1.54 CN1CCC(C1)CC(=O)O CBR02303 [0,0,0,1,0,1|2,0,0]=4 227 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,0,0,1,0,1|1,0,0]=3 228 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [0,0,0,1,0,1|2,0,0]=4 229 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [0,0,0,1,0,1|1,0,0]=3 230 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O BBO000684 [0,0,0,1,0,1|0,0,2]=4 231 B10R1.61 N[C@H]1CC=CC[C@@H]1C(=O)O BBO000678 [0,0,0,1,0,1|0,0,2]=4 232 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BBO000677 [0,0,0,1,0,1|0,0,2]=4 233 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,0,0,1,0,1|0,0,0]=2 234 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [0,0,0,1,0,1|1,0,1]=4 235 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,0,0,1,0,1|1,0,0]=3 236 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.300 O=C1NCCCCC1(Br)Br S871486 [0,1,0,1,0,0|2,0,0]=4 238 B10R1.300 O=C1NCCCCC1(Cl)Cl R429457 [0,1,0,1,0,0|2,0,0]=4 239 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,1,0,1,0,0|0,0,0]=2 240 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,1,0,1,0,0|0,0,0]=2 241 B10R1.275 CN1CCCC[C@@H](C1=O)N CDS014105 [0,1,0,1,0,0|1,0,0]=3 242 B10R1.275 O=C1C(CCCCC1Br)Br S330213 [0,1,0,1,0,0|2,0,0]=4 243 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,1,0,1,0,0|1,0,0]=3 245 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,1,0,1,0,0|1,0,0]=3 246 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,1,0,0|1,0,0]=3 247 B10R1.359 CC1(NC(CS1)C(=O)O)C S71006 [0,1,0,1,0,0|1,0,0]=3 248 B10R1.359 CC1(NC(CS1)C(=O)O)C S942316 [0,1,0,1,0,0|1,0,0]=3 249 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.15 COC(=O)C1CNCCO1 CDS024237 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.182 COC(=O)C(N)C1COC1 SYX00444 [0,1,0,1,0,0|1,0,0]=3 254 B10R1.411 COC(=O)C1(CCCC1)N PH010854 [0,1,0,1,0,0|0,0,0]=2 255 B10R1.31 CCC1NC(CS1)C(=O)O S982571 [0,1,0,1,0,0|0,0,0]=2 256 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O BBO000381 [0,1,0,1,0,0|1,0,1]=4 257 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [0,1,0,1,0,0|1,0,1]=4 258 B10R1.113 CN1CCCC(C1)C(=O)N PH013754 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [0,1,0,1,0,0|1,0,0]=3 260 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [0,1,0,1,0,0|1,0,0]=3 261 B10R1.113 CN1CCNC(C1)C(=O)O CBR02466 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.113 CN1CCOC(C1)C(=O)O CDS009752 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,1,0,1,0,0|1,0,0]=3 265 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [0,1,0,1,0,0|0,0,1]=3 267 B10R1.131 CCCC1OC(=O)C(O1)C S397873 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.363 CC1(CCCNC1)C(=O)N CBR02426 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [0,1,0,1,0,0|1,0,0]=3 271 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.363 CC1(CCNCC1)C(=O)N CBR01691 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [0,1,0,1,0,0|1,0,0]=3 274 B10R1.363 C[C@]1(C=CCCC1)C(=O)O T286788 [0,1,0,1,0,0|1,0,1]=4 275 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [0,1,0,1,0,0|1,0,0]=3 277 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,1,0,1,0,0|0,0,0]=2 278 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [0,1,0,1,0,0|1,0,0]=3 279 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|2,0,0]=4 280 B10R2.65 CC12CC1CCCC2=O T180947 [0,0,0,2,0,0|2,0,0]=4 281 B10R2.178 O=C1NCC2CCC1C2 T298905 [0,0,0,2,0,0|2,0,0]=4 282 B10R2.62 O=C1NC2CCC1CC2 PH001109 [0,0,0,2,0,0|2,0,0]=4 283 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,2,0,0|1,0,0]=3 284 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,0,0,2,0,0|0,0,0]=2 285 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,2,0,0|2,0,0]=4 286 B10R0.78 COCNC(N)CCC(=O)O R434884 [0,0,0,0,0,2|2,0,0]=4