0 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.8 CCCCC(C)C(C)O S374199 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 CCCCC(N)C(=O)N CDS003890 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.8 NCCCC(N)C(=O)O S594881 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 C(=O)C(=C)CCCC R425885 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 CCCCC(N)CC CDS021471 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 C=C=CCCC(=O)O CVT00110 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 C=CCOCC(=O)O CDS023318 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CCCCCC(=N)N CBR01197 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|0,1,0]=2 16 B7R0.4 COCCCC(C)O S671169 [1,0,0,0,0,0|1,1,1]=4 17 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.4 CSCCOC(=O)C S375721 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 N#CCCCC(=O)O CDS007802 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 N#CCSCC(=O)O EME00129 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 NC(=O)CCCCO S441481 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.4 NCCNCC(=O)O CDS000144 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.4 NCCOCC(=O)O T160229 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.5 C#CC[C@@H](N)C(=O)O CDS005053 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.5 CC(=O)C(Cl)CCO S561894 [1,0,0,0,0,0|2,1,0]=4 26 B7R0.5 CCCC(C)C(C)O S433373 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.5 CCOC(C)C(=O)O CBR01494 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.5 CCSC(C)C(=O)O CBR01403 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 CNCC(C)C(=O)O CBR01429 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 NCCC(N)C(=O)O PH018181 [1,0,0,0,0,0|1,0,0]=2 33 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CDS020792 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.7 C[S+](C)CCC(N)C(=O)O S582026 [0,1,0,0,0,0|0,0,1]=2 35 B9R0.7 C[S+](C)CCC(N)C(=O)O S859427 [0,1,0,0,0,0|0,0,1]=2 36 B9R0.7 NC(=O)CC[C@H](N)C(=O)N CDS008161 [0,1,0,0,0,0|3,0,0]=4 37 B9R0.7 NC(=O)OCC(N)C(=O)O PH008887 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.7 NC(CCC(=O)O)C(=O)[O-] R464414 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.7 NC(CCC(=O)[O-])C(=O)[O-] S595179 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.7 [C@@H](N)(CCC(=O)N)C(=O)O S452084 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.7 [C@H](N)(CCC(=O)[O-])C(=O)O S372226 [0,1,0,0,0,0|2,0,0]=3 42 B9R0.13 CCCC/C(=N\O)/C(=O)O PH007213 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.42 CCN(C)CC(C)C(=O)O CBR01343 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.47 CC(NCCC#N)C(=O)O S114073 [0,1,0,0,0,0|3,0,0]=4 45 B9R0.47 [C@@H](N)(CSCCO)C(=O)O PH010771 [0,1,0,0,0,0|2,0,0]=3 46 B9R0.51 CCCCC(C)(C)C(=O)O PH000318 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [0,0,0,1,0,0|2,1,0]=4 51 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [0,0,0,1,0,0|2,1,0]=4 52 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,0,0,1,0,0|0,0,0]=1 55 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O CDS009904 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.112 N[C@@H](CC1CC1)C(=O)O CDS007244 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.163 CC1(CCCC1)C(=O)N S11585 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.163 O=C(O)C1(CCCC1)O CBR00072 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.163 O=C(O)C1(CCSC1)O PH001084 [0,0,0,1,0,0|1,0,0]=2 62 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,0,0,0,0,1|1,0,0]=2 63 B6R0.1 CCCC(N)CC CBR01120 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.4 CC(=O)OCCS S363049 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 CCCCC(=N)N PH017352 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 CCCCC(=S)N PH000512 [2,0,0,0,0,0|1,1,0]=4 67 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CCNCC(=O)N S877379 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CCNCC(=O)N S986194 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.4 CSCCC(C)C S351520 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 N#CCCC(=O)O CDS009069 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|0,0,0]=2 77 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.6 COCCCC=O CDS022820 [2,0,0,0,0,0|0,1,0]=3 80 B6R0.6 COCCNC=O PH007296 [2,0,0,0,0,0|1,1,0]=4 81 B6R0.3 CC(CN)C(=O)O CDS014136 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.3 CC(CS)C(=O)O CDS000283 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.3 CCC(C)C(=O)N S799637 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.3 CCC(N)C(=O)N S784044 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.3 CCC(O)C(=O)O CDS000492 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [2,0,0,0,0,0|1,1,0]=4 88 B6R0.3 NCC(N)C(=O)O R278769 [2,0,0,0,0,0|1,0,0]=3 89 B8R0.25 CCCCC(Cl)(Cl)C=O PH014412 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,1,0,0,0,0|1,0,0]=3 91 B8R0.7 C=CCOCCC(=O)O CDS000343 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [1,1,0,0,0,0|1,0,1]=4 93 B8R0.7 CCCCCOC(=O)Cl CDS000346 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.7 CCCCOCC(=O)O CDS008145 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.7 CCCNCCC(=O)O OTV000481 [1,1,0,0,0,0|1,0,0]=3 96 B8R0.7 CCSCCCC(=O)O PH008798 [1,1,0,0,0,0|0,0,0]=2 97 B8R0.7 N#CCCNCC(=O)O R436143 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.7 NC(=O)CCCCCBr CDS003086 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.7 NCCCCCC(=O)N CDS015235 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.7 NCCSCCC(=O)O PH011733 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.7 O=C(O)CCNCCO S888699 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.7 O=C(O)CCOCCO CDS021155 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.21 CCCCCS(=O)(=O)O PH018433 [1,1,0,0,0,0|2,0,0]=4 104 B8R0.28 CC(=O)CCCC(=O)N PH008391 [1,1,0,0,0,0|2,0,0]=4 105 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|2,0,0]=4 106 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,1,0,0,0,0|1,0,0]=3 108 B8R0.28 CC(C)COCC(=O)O CDS014100 [1,1,0,0,0,0|2,0,0]=4 109 B8R0.28 NC(=O)CCCC(=O)O CBR00275 [1,1,0,0,0,0|2,0,0]=4 110 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [1,1,0,0,0,0|1,0,0]=3 112 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [1,1,0,0,0,0|1,0,0]=3 113 B8R0.2 O=C(O)C(Br)C(Br)CBr S881333 [1,1,0,0,0,0|2,0,0]=4 114 B8R0.12 CCCC(C)(C)C(=O)C PH011400 [1,1,0,0,0,0|2,0,0]=4 115 B8R0.12 CCCC(C)(O)C(=O)C PH007070 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.12 CSCC(C)(C)C(=O)O PH007648 [1,1,0,0,0,0|1,0,0]=3 117 B8R0.14 CCCC(O)P(=O)(O)O PH007233 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.23 CC(C)CC(N)C(=O)N S788902 [1,1,0,0,0,0|1,0,0]=3 119 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [1,1,0,0,0,0|1,0,0]=3 120 B8R0.23 CC(C)C[C@H](N)C(=O)N CDS003478 [1,1,0,0,0,0|1,0,0]=3 121 B8R0.23 CC(C)NC(C)C(=O)O PH010417 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.23 CC(CN(C)C)C(=O)O CBR01551 [1,1,0,0,0,0|2,0,0]=4 124 B10R0.44 CC[C@@H](C)C[C@H](N)CC(=O)O PH001846 [0,1,0,0,0,1|1,0,0]=3 125 B10R0.43 CC(=O)CCC(C)(C)C(=O)O PH007646 [0,2,0,0,0,0|2,0,0]=4 126 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N CDS003704 [0,2,0,0,0,0|2,0,0]=4 127 B10R0.93 NC(CC(F)C(=O)O)C(=O)O R261505 [0,2,0,0,0,0|2,0,0]=4 128 B10R0.93 NC(CC(N)C(=O)O)C(=O)O S112348 [0,2,0,0,0,0|2,0,0]=4 129 B10R0.46 COC(=O)CC(N)C(=O)OC S787213 [0,2,0,0,0,0|0,1,1]=4 130 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [0,2,0,0,0,0|2,0,0]=4 131 B10R0.17 CCCCC(C(=O)N)C(=O)N PH009401 [0,2,0,0,0,0|2,0,0]=4 132 B10R0.17 CCCCC(C(=O)O)C(C)C PH010077 [0,2,0,0,0,0|2,0,0]=4 133 B10R0.88 C(=O)NC(CCSC)C(=O)O S601047 [0,2,0,0,0,0|0,0,0]=2 134 B10R0.133 CCCCC(C)(CC)C(=O)O S876577 [0,2,0,0,0,0|2,0,0]=4 135 B10R0.26 CCOC(=O)CC(N)C(=O)O S108782 [0,2,0,0,0,0|0,1,1]=4 136 B10R0.26 CCOC(=O)CC(N)C(=O)O S334383 [0,2,0,0,0,0|0,1,1]=4 137 B10R0.42 CCOCCC(C)(C)C(=O)O PH007502 [0,2,0,0,0,0|1,1,0]=4 138 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,2,0,0,0,0|1,0,0]=3 139 B10R0.98 NC(CSCC(=O)O)C(=O)O PH000114 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.2 O=CC1CCCCO1 CDS019507 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.2 O=CC1CCNCC1 CDS013816 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,1,0,0|1,1,0]=4 143 B8R1.2 O=CC1CCSCC1 CDS020250 [1,0,0,1,0,0|1,0,0]=3 144 B8R1.5 NC1CCCNC1=O CDS020148 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.7 O=C(O)C1CCNC1 CDS007406 [1,0,0,1,0,0|1,0,0]=3 150 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [1,0,0,1,0,0|1,0,0]=3 151 B8R1.34 NC(=O)OC1CSC1 T163708 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.34 O=C(O)CC1CNC1 PHB00031 [1,0,0,1,0,0|1,0,0]=3 153 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.18 CC1CC(C(=O)O1)C S327565 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.23 O=C(O)C1CC(C1)F CDS023094 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [1,0,0,1,0,0|1,1,0]=4 157 B8R1.78 CC1(COC1)C(=O)O SYX00377 [1,0,0,1,0,0|1,1,0]=4 158 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,0,0,1,0,1|2,0,0]=4 159 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,0,0,1,0,1|1,0,0]=3 160 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,0,0,1,0,1|2,0,0]=4 161 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,0,0,1,0,1|2,0,0]=4 162 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,0,0,1,0,1|2,0,0]=4 163 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,0,0,1,0,1|1,1,0]=4 164 B10R1.54 CN1CCC(C1)CC(=O)O CBR02303 [0,0,0,1,0,1|2,0,0]=4 165 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,0,0,1,0,1|2,0,0]=4 166 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [0,0,0,1,0,1|2,0,0]=4 167 B10R1.61 N[C@H]1CC=CC[C@@H]1C(=O)O BBO000678 [0,0,0,1,0,1|1,0,1]=4 168 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BBO000677 [0,0,0,1,0,1|1,0,1]=4 169 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,0,0,1,0,1|1,0,0]=3 170 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,0,0,1,0,1|2,0,0]=4 171 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,1,0,1,0,0|1,0,0]=3 172 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,1,0,1,0,0|1,0,0]=3 173 B10R1.275 CN1CCCC[C@@H](C1=O)N CDS014105 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,1,0,1,0,0|2,0,0]=4 177 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.359 CC1(NC(CS1)C(=O)O)C S71006 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.359 CC1(NC(CS1)C(=O)O)C S942316 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.182 COC(=O)C(N)C1COC1 SYX00444 [0,1,0,1,0,0|0,1,0]=3 181 B10R1.411 COC(=O)C1(CCCC1)N PH010854 [0,1,0,1,0,0|1,0,0]=3 182 B10R1.31 CCC1NC(CS1)C(=O)O S982571 [0,1,0,1,0,0|1,0,0]=3 183 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [0,1,0,1,0,0|2,0,0]=4 184 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [0,1,0,1,0,0|2,0,0]=4 185 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [0,1,0,1,0,0|2,0,0]=4 186 B10R1.113 CN1CCNC(C1)C(=O)O CBR02466 [0,1,0,1,0,0|2,0,0]=4 187 B10R1.113 CN1CCOC(C1)C(=O)O CDS009752 [0,1,0,1,0,0|2,0,0]=4 188 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,1,0,1,0,0|2,0,0]=4 189 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [0,1,0,1,0,0|1,0,1]=4 190 B10R1.131 CCCC1OC(=O)C(O1)C S397873 [0,1,0,1,0,0|2,0,0]=4 191 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [0,1,0,1,0,0|2,0,0]=4 192 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [0,1,0,1,0,0|2,0,0]=4 193 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [0,1,0,1,0,0|2,0,0]=4 194 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [0,1,0,1,0,0|2,0,0]=4 195 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,1,0,1,0,0|1,0,0]=3 196 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [0,1,0,1,0,0|2,0,0]=4 197 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,2,0,0|2,0,0]=4 198 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,0,0,2,0,0|1,0,0]=3 199 B10R0.78 COCNC(N)CCC(=O)O R434884 [0,0,0,0,0,2|1,1,0]=4