0 B8R0.7 C(=O)OCCCC(=O)C R396036 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 C=CCOCCC(=O)O CDS000343 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 CC(=CCCCCBr)C PH009497 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.7 CC(=O)NCCCCN CDS021099 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.7 CC(C)CCCCCN CDS001505 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.7 CCCCCCC(C)C S430935 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.7 CCCCCCC(C)Cl S564516 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.7 CCCCOCC(=O)O CDS008145 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.7 CCCCSCC(C)C S570567 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.7 CCCNCCC(=O)O OTV000481 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.7 CCSCCCC(=O)O PH008798 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.7 CN(C)CCCCCN CDS002923 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.7 COCCCNC(=S)N S649139 [0,0,0,0,0,0|2,1,0]=3 16 B8R0.7 N#CCCCSC(=N)N PH012548 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.7 N#CCCNCC(=O)O R436143 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.7 NCCCCCC(=O)N CDS015235 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.7 NCCCCNC(=S)S PH008612 [0,0,0,0,0,0|3,1,0]=4 21 B8R0.7 NCCSCCC(=O)O PH011733 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.7 O=C(O)CCNCCO S888699 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.7 O=C(O)CCOCCO CDS021155 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.1 C(=O)NCCCOC S363286 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 C/C=C\CCCCO S310700 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 C=CCCCCCO S303445 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 CCCCCC[Hg]Cl S572519 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.1 CCCCCON=O CDS000385 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.1 CCCCSCCC S367192 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 CCCCSCCO S527408 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.1 CCCNCCC#N PH017151 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.1 CCCOCCCN CDS000217 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.1 CCOCCCNN PH019429 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.1 CNCCCCCO PH007838 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.1 COCCCCCO PH003271 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.1 COCCOCCN CDS022898 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 N#CCCCCCN PH014777 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.1 NCCCNCCO S446831 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.1 NCCNCCCO CDS000635 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 C=C(Br)CCCCBr S881252 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.4 CC(=O)NCCCO OTV000276 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 CC(=O)OCCCS S786683 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,0,0,0,0,0|0,0,2]=3 45 B7R0.4 CCCCCC(=N)N CBR01197 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.4 CCCCCC(C)Cl CDS000285 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.4 CCCCNC(=S)N S565970 [1,0,0,0,0,0|1,1,0]=3 49 B7R0.4 CCCCSC(=N)N S500534 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 CCCCSC(=N)N S557153 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 CCOCCC(=N)N PH016244 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.4 CSCCOC(=O)C S375721 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.4 N#CCCCC(=O)O CDS007802 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.4 NC(=O)CCCCO S441481 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.4 NC(=O)COCCO S449792 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.4 NCCNCC(=O)O CDS000144 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.4 NCCOCC(=O)O T160229 [1,0,0,0,0,0|3,0,0]=4 62 B9R0.1 CCC(C)CCCC(C)C S765406 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.1 COC(C)CCOC(=O)C CDS000509 [0,1,0,0,0,0|3,0,0]=4 64 B9R0.2 C=C(Cl)CNCCCOC PH008765 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,1,0,0,0,0|1,0,1]=3 66 B9R0.2 CCCCCCCC(C)Br S438758 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.2 CCCNOCCC(=O)C S581321 [0,1,0,0,0,0|2,0,0]=3 68 B9R0.2 COCCCCCC(=O)O CBR00492 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,0,0,0,0|1,0,1]=3 71 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.38 CCCCCCS(=O)(=O)[O-] R426628 [0,1,0,0,0,0|2,0,0]=3 75 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,1,0,0,0,0|1,0,2]=4 76 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,1,0,0,0,0|1,0,1]=3 77 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.46 CCCCCNC(=O)CCl S627690 [0,1,0,0,0,0|2,0,0]=3 79 B9R0.46 COC(=O)CCCCCBr S125334 [0,1,0,0,0,0|2,0,0]=3 80 B9R0.46 COCCCNC(=O)CCl PH017216 [0,1,0,0,0,0|3,0,0]=4 81 B9R0.46 COCCCNC(=S)NN CDS003725 [0,1,0,0,0,0|2,1,0]=4 82 B9R0.47 CCCCCC(O)C(C)C S431656 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.47 [C@@H](N)(CSCCO)C(=O)O PH010771 [0,1,0,0,0,0|3,0,0]=4 84 B9R0.48 C/C=C/C(C)CNC(=O)N T181560 [0,1,0,0,0,0|1,0,2]=4 85 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,1,0,0,0,0|1,0,0]=2 86 B9R0.55 NC(=O)CSCCC(=O)O EME00025 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.55 O=C([O-])CCCCC(=O)[O-] S566012 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.2 COC1=CC(=O)CCC1 T288349 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.6 NC(=C1CCNCC1)N PH019111 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,0,0,1,0,0|1,0,0]=2 96 B9R1.6 NC(=O)N1CCNCC1 CDS002866 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.6 NC(=S)C1CCNCC1 CBR01740 [0,0,0,1,0,0|1,1,0]=3 98 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [0,0,0,1,0,0|1,0,2]=4 99 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.7 CCCN1CCC(C1)N CBR01729 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.13 C=C(Cl)CN1CCCC1 PH012633 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,0,0,1,0,0|1,0,2]=4 109 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.13 CC(N)CN1CCCC1 CBR01743 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,0,0,1,0,0|1,0,0]=2 114 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,0,0,1,0,0|1,0,0]=2 115 B9R1.13 O=C(O)C=C1CCCC1 S757934 [0,0,0,1,0,0|1,0,2]=4 116 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.24 C[C@@]1(CCC[C@H]1CO)N BBO000380 [0,0,0,1,0,0|2,0,1]=4 120 B9R1.40 CC1CCCCC1(F)F MNO000101 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.40 O=S1(=O)CCCCC1Cl T166502 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [0,0,0,1,0,0|1,0,2]=4 123 B9R1.41 NC(=O)N1CCCC1=O R100803 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CDS009161 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.50 BrC1CCCCCCC1 PH011377 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.148 CC1(CCCCCC1)O S411949 [0,0,0,1,0,0|1,0,2]=4 127 B6R0.6 C=CCSCCC S357391 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.6 CCCNCCC R580155 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.6 CCCSCCO S408859 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.6 CCSCCCO PH017932 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.6 COCCCC=O CDS022820 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.6 COCCNC=O PH007296 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.6 FCCCCCBr CBR02103 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.6 NCCOCCN CDS000024 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.6 NCCSCCO S449539 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.4 CCCCC(=N)N PH017352 [2,0,0,0,0,0|1,0,0]=3 139 B6R0.4 CCCCC(=S)N PH000512 [2,0,0,0,0,0|0,1,0]=3 140 B6R0.4 CCCNC(=N)N L254797 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.4 CCNCC(=O)N S877379 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.4 CCNCC(=O)N S986194 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.4 COCCC(=N)N CBR01198 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.4 NC(=O)NCCCl CDS000493 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|2,0,0]=4 151 B8R0.1 C/C=C\C(O)CCCC S364290 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.1 CCCC(O)CCCO S838322 [1,1,0,0,0,0|0,0,2]=4 153 B8R0.1 CCCCN(C)CCN PH014575 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.4 C#CCCCCCCO SYX00205 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.4 C(=C/CCCCCO)\C T264652 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.4 C(=O)NCCOCCO S405213 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.4 CCCCCCCSC S570729 [1,1,0,0,0,0|0,1,1]=4 158 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.4 CCCCCSCCO S357928 [1,1,0,0,0,0|0,0,2]=4 160 B8R0.4 CCCCNCCC#N S399493 [1,1,0,0,0,0|0,0,2]=4 161 B8R0.4 CCCCNCCCC S367869 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.4 CCCCNCCCC S503894 [1,1,0,0,0,0|1,0,1]=4 163 B8R0.4 CCCCNCCCC S566152 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.4 CCNCCCCCO PH007898 [1,1,0,0,0,0|0,0,2]=4 165 B8R0.4 CSCCCCCCO S931667 [1,1,0,0,0,0|0,0,2]=4 166 B8R0.4 CSCCCCCSC S375896 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.4 NCCCOCCCN PH000107 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,1,0,0,0,0|1,0,1]=4 169 B8R0.6 CCCCCC(=O)NN S849049 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.6 O=CCCCC(O)C=O PH009970 [1,1,0,0,0,0|1,0,1]=4 171 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.8 CCCCC(N)C(=O)N CDS003890 [1,1,0,0,0,0|0,0,0]=2 175 B8R0.8 CSCCC(O)C(=O)O PH000120 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.8 NCCCC(N)C(=O)O S594881 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.9 CCC(=O)CCC(=O)O S574090 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.21 CCCCCS(=O)(=O)O PH018433 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.21 CCCCNS(=O)(=O)N PH009039 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.28 CC(=O)CCCC(=O)N PH008391 [1,1,0,0,0,0|0,0,1]=3 182 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|1,0,0]=3 183 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,1,0,0,0,0|2,0,0]=4 185 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,1,0,0,0,0|1,0,0]=3 186 B8R0.28 CC(C)COCC(=O)O CDS014100 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.28 CC(C)NCCC(=O)N CDS021106 [1,1,0,0,0,0|1,0,0]=3 188 B8R0.28 CC(I)CCSC(=N)N T172898 [1,1,0,0,0,0|2,0,0]=4 189 B8R0.28 NC(=O)CCCC(=O)O CBR00275 [1,1,0,0,0,0|1,0,1]=4 190 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [0,2,0,0,0,0|1,0,1]=4 191 B10R0.3 CCOC(=O)CCNC(=O)N S859575 [0,2,0,0,0,0|1,0,1]=4 192 B10R0.44 CC[C@@H](C)C[C@H](N)CC(=O)O PH001846 [0,2,0,0,0,0|1,0,0]=3 193 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N CDS003704 [0,2,0,0,0,0|1,0,1]=4 194 B10R0.77 CCN(CC)CCOC(=O)N PH001085 [0,2,0,0,0,0|2,0,0]=4 195 B10R0.98 CC(N)C(=O)NCCC(=O)N S784176 [0,2,0,0,0,0|1,0,1]=4 196 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,2,0,0,0,0|2,0,0]=4 197 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,2,0,0,0,0|1,0,0]=3 198 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,2,0,0,0,0|1,0,0]=3 199 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,2,0,0,0,0|1,0,0]=3 200 B10R0.4 CCCCCCCCC(=O)N S595268 [0,2,0,0,0,0|0,0,0]=2 201 B10R0.4 CCCCCCCCC(C)N T151068 [0,2,0,0,0,0|1,0,1]=4 202 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,2,0,0,0,0|2,0,0]=4 203 B10R0.4 CCCCCCCNC(=O)C R704377 [0,2,0,0,0,0|1,0,0]=3 204 B10R0.4 CCCCCCCNC(=O)N S516643 [0,2,0,0,0,0|0,0,0]=2 205 B10R0.4 COCCOCCOC(=O)C S705659 [0,2,0,0,0,0|2,0,0]=4 206 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,2,0,0,0,0|1,0,1]=4 207 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,2,0,0,0,0|2,0,0]=4 208 B10R0.22 CCCCCCOS(=O)(=O)[O-] S617164 [0,2,0,0,0,0|2,0,0]=4 209 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,2,0,0,0,0|1,0,0]=3 210 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,2,0,0,0,0|1,0,1]=4 211 B10R0.74 CCCCCCCC(=O)CC S544043 [0,2,0,0,0,0|1,0,0]=3 212 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,2,0,0,0,0|0,0,0]=2 213 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,2,0,0,0,0|0,0,0]=2 214 B10R0.74 CCCCCCNC(=O)NC S892793 [0,2,0,0,0,0|0,0,0]=2 215 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,2,0,0,0,0|1,0,0]=3 216 B10R0.74 CCCCCCOC(=S)S[K] S394122 [0,2,0,0,0,0|1,1,0]=4 217 B10R0.75 CCCCCCC(=O)C(C)C S350575 [0,2,0,0,0,0|1,0,0]=3 218 B10R0.75 CCCCCCC(C)N(C)C S336998 [0,2,0,0,0,0|1,0,1]=4 219 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,2,0,0,0,0|1,0,0]=3 220 B10R0.78 C=C(C)CCC(O)COCC S312150 [0,2,0,0,0,0|2,0,0]=4 221 B10R0.78 COCNC(N)CCC(=O)O R434884 [0,2,0,0,0,0|2,0,0]=4 222 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [0,2,0,0,0,0|1,0,1]=4 223 B10R0.1 CCCCCOC(=O)CC#N S549703 [0,2,0,0,0,0|1,0,1]=4 224 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,2,0,0,0,0|2,0,0]=4 225 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [0,2,0,0,0,0|2,0,0]=4 226 B10R0.42 CCOCCC(C)(C)C(=O)O PH007502 [0,2,0,0,0,0|2,0,0]=4 227 B10R0.105 NC(=O)CCS(=O)(=O)CCCl S28321 [0,2,0,0,0,0|2,0,0]=4 228 B8R1.2 CCC1CNCCN1 CBR00969 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.2 CCC1NCCCS1 T149683 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.2 NCC1CCCCO1 CDS006458 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.2 NCC1CCCCO1 CDS006719 [1,0,0,1,0,0|1,0,1]=4 232 B8R1.2 NCC1CCCNC1 CDS013586 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.2 NCC1CCOCC1 CDS003651 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.2 NNC1CCCCC1 S859435 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.2 O=CC1CCCCO1 CDS019507 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.2 O=CC1CCNCC1 CDS013816 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.2 O=CC1CCSCC1 CDS020250 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.2 SCC1CCCCC1 CDS020661 [1,0,0,1,0,0|0,1,1]=4 240 B8R1.5 CC1SCCNC1=O R305707 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.5 NC1CCCNC1=O CDS020148 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.5 O=C1CCOCC1F SYX00096 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.8 NCCC1CCCC1 CDS008185 [1,0,0,1,0,0|0,0,1]=3 249 B8R1.8 NCCC1CCCC1 T175072 [1,0,0,1,0,0|0,0,1]=3 250 B8R1.11 CCC1CCNC1=O CBR01663 [1,0,0,1,0,0|1,0,0]=3 251 B8R1.11 CN1CCCC1CN CBR00699 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.11 N#CC1CCCC1=O CDS020714 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.11 NN[C@@H]1CCC[C@H]1O CBR01625 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [1,0,0,1,0,0|1,0,1]=4 255 B8R1.11 O=C1CCCN1CO S362557 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.22 CC1CCCCCO1 T168866 [1,0,0,1,0,0|0,0,2]=4 257 B8R1.22 O=C1CCSCCN1 SYX00233 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.22 O=C1CNCCCN1 CDS019453 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.22 O=C1CSCCSC1 CBR01192 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|1,0,0]=3 263 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.1 O=C1CCC(O1)CCl PH010125 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.4 CC1CCCC(C1)N CDS007614 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.4 N1C(CCCC1C)C S379425 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.4 N1C(CCCC1C)C S379727 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.7 N=C(N)C1CCCO1 PH015042 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,0,0,1,0,0|0,0,0]=2 270 B8R1.7 NC(=O)C1CCCN1 CDS008010 [1,0,0,1,0,0|1,0,0]=3 271 B8R1.7 O=C(O)C1CCNC1 CDS007406 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.19 CC1CCCS1(=O)=O S566659 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.34 NC(=O)OC1CSC1 T163708 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.34 O=C(O)CC1CNC1 PHB00031 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [1,0,0,1,0,0|2,0,0]=4 276 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,1,0,1,0,0|1,0,0]=3 279 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,1,0,1,0,0|1,0,0]=3 280 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.31 CCC1NC(CS1)C(=O)O S982571 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.54 CN1CCC(C1)CC(=O)O CBR02303 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.194 CC1C(=O)CCC1C(=O)O PH018686 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.16 C=CCCC1CCC(=O)C1 T221252 [0,1,0,1,0,0|1,0,1]=4 286 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,1,0,1,0,0|1,0,0]=3 287 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,1,0,1,0,0|1,0,0]=3 290 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.18 N=C(N)NC1CCCCC1 L255009 [0,1,0,1,0,0|1,0,0]=3 292 B10R1.18 N=C(N)SC1CCCCC1 S822655 [0,1,0,1,0,0|1,0,0]=3 293 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,1,0,1,0,0|0,0,0]=2 294 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,1,0,1,0,0|0,0,0]=2 295 B10R1.18 NC(=O)CN1CCNCC1 CDS002931 [0,1,0,1,0,0|1,0,0]=3 296 B10R1.18 NC(=O)NC1CCCCC1 S375047 [0,1,0,1,0,0|0,0,0]=2 297 B10R1.18 NC(=S)CN1CCOCC1 OTV000700 [0,1,0,1,0,0|1,1,0]=4 298 B10R1.18 NC(=S)NC1CCCCC1 PH002195 [0,1,0,1,0,0|0,1,0]=3 299 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,1,0,1,0,0|1,0,0]=3 300 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,1,0,1,0,0|1,0,0]=3 302 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,1,0,1,0,0|1,0,0]=3 303 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,1,0,1,0,0|1,0,0]=3 305 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,1,0,1,0,0|1,0,0]=3 306 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [0,1,0,1,0,0|1,0,0]=3 310 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.61 CC1C=CCCC1C(=O)O PH008388 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [0,1,0,1,0,0|1,0,0]=3 313 B10R1.61 NC(=O)C1CCCNC1=O PH007029 [0,1,0,1,0,0|1,0,1]=4 314 B10R1.61 NC(=O)[C@@H]1CC=CC[C@@H]1N BBO000351 [0,1,0,1,0,0|0,0,2]=4 315 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [0,1,0,1,0,0|0,0,0]=2 316 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,1,0,1,0,0|1,0,0]=3 317 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [0,1,0,1,0,0|1,0,1]=4 318 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,1,0,1,0,0|1,0,0]=3 319 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,1,0,0|1,0,1]=4 320 B10R1.64 CN1CCCC1CC(=O)O PH018759 [0,1,0,1,0,0|1,0,0]=3 321 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [0,1,0,1,0,0|1,0,0]=3 322 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,1,0,1,0,0|1,0,0]=3 323 B10R1.66 O=C(O)CCN1CCCO1 CBR00808 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,1,0,1,0,0|1,0,0]=3 325 B10R1.162 COC1=NC(CCCC1)C PH007837 [0,1,0,1,0,0|0,0,2]=4 326 B10R1.348 NC(=S)N1CCCCCC1 CBR01182 [0,1,0,1,0,0|0,1,0]=3 327 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [0,1,0,1,0,0|1,0,1]=4 328 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [0,1,0,1,0,0|1,0,1]=4 330 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [0,1,0,1,0,0|1,0,1]=4 331 B10R1.28 NS(=O)(=O)N1CCCCC1 PH010400 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.7 C=C1CCCCCCC1O T181676 [0,1,0,1,0,0|1,0,1]=4 335 B10R1.7 C=C1CCCCCCC1O T232742 [0,1,0,1,0,0|1,0,1]=4 336 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|1,0,0]=3 337 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,1,0,1,0,0|1,0,1]=4 338 B10R1.15 CCC(=O)C1CCCNC1 CBR01650 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.15 CNC(=O)C1CCCNC1 CBR00913 [0,1,0,1,0,0|1,0,0]=3 340 B10R1.15 CNC(=O)C1CCCNC1 CDS017102 [0,1,0,1,0,0|1,0,0]=3 341 B10R1.15 CNC(=O)N1CCCCC1 S379557 [0,1,0,1,0,0|1,0,0]=3 342 B10R1.15 CNC(=S)N1CCCCC1 TMT00166 [0,1,0,1,0,0|1,1,0]=4 343 B10R1.15 CNC(C)C1CCCCC1 PH013058 [0,1,0,1,0,0|1,0,1]=4 344 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [0,1,0,1,0,0|2,0,0]=4 345 B10R1.15 NCC(=O)N1CCCCC1 CDS002437 [0,1,0,1,0,0|1,0,0]=3 346 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,1,0,1,0,0|0,0,0]=2 347 B10R1.15 O=C(CBr)N1CCCCC1 CBR00242 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.15 O=C(CI)N1CCCCC1 PH006191 [0,1,0,1,0,0|2,0,0]=4 349 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [0,1,0,1,0,0|2,0,0]=4 350 B10R1.27 NNC(=O)CN1CCCC1 CBR01278 [0,1,0,1,0,0|1,0,0]=3 351 B10R1.27 NNC(=O)CN1CCCC1 PH017245 [0,1,0,1,0,0|1,0,0]=3 352 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,1,0,1,0,0|1,0,1]=4 353 B10R1.94 CCCC1=C(C(=O)CC1)Br PH015992 [0,1,0,1,0,0|1,0,1]=4 354 B10R1.94 CCCC1=C(C(=O)CC1)O PH008317 [0,1,0,1,0,0|1,0,1]=4 355 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N BBO000403 [0,1,0,1,0,0|2,0,0]=4 356 B10R1.172 CCC1CCCC(N1)CC PH013114 [0,1,0,1,0,0|1,0,1]=4 357 B10R1.275 CN1CCCC[C@@H](C1=O)N CDS014105 [0,1,0,1,0,0|1,0,1]=4 358 B10R1.23 CN(C(=O)N)C1CCCC1 S345121 [0,1,0,1,0,0|1,0,0]=3 359 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,1,0,1,0,0|1,0,0]=3 360 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,1,0,1,0,0|1,0,0]=3 361 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [0,1,0,1,0,0|2,0,0]=4 362 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [0,1,0,1,0,0|2,0,0]=4 363 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,1,0,1,0,0|1,0,0]=3 364 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.113 CN1CCCC(C1)C(=N)N CBR02420 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.113 CN1CCCC(C1)C(=O)N PH013754 [0,1,0,1,0,0|1,0,0]=3 367 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [0,1,0,1,0,0|2,0,0]=4 369 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [0,1,0,1,0,0|0,0,0]=2 370 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,1,0,1,0,0|1,0,0]=3 371 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [0,1,0,1,0,0|1,0,1]=4 373 B10R1.131 CCCC1OC(=O)C(O1)C S397873 [0,1,0,1,0,0|2,0,0]=4 374 B10R1.176 CCC1CCC(=O)C(=O)C1 PH008686 [0,1,0,1,0,0|1,0,1]=4 375 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [0,1,0,1,0,0|1,0,0]=3 376 B10R1.363 CC1(CCCNC1)C(=O)N CBR02426 [0,1,0,1,0,0|1,0,0]=3 377 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [0,1,0,1,0,0|2,0,0]=4 378 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [0,1,0,1,0,0|2,0,0]=4 379 B10R1.363 CC1(CCNCC1)C(=O)N CBR01691 [0,1,0,1,0,0|1,0,0]=3 380 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [0,1,0,1,0,0|2,0,0]=4 381 B10R1.363 N=C(N)C1(CCCCC1)O PH016272 [0,1,0,1,0,0|1,0,0]=3 382 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [0,1,0,1,0,0|0,0,0]=2 383 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [0,1,0,1,0,0|0,0,0]=2 384 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,1,0,1,0,0|1,0,0]=3 385 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [0,1,0,1,0,0|2,0,0]=4 386 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|1,0,0]=3 387 B10R2.62 O=C1NC2CCC1CC2 PH001109 [0,0,0,2,0,0|0,0,0]=2 388 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,2,0,0|1,0,0]=3 389 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,0,0,2,0,0|2,0,0]=4 390 B10R2.320 O=C1NC2C1CC=CC2 T173991 [0,0,0,2,0,0|0,0,2]=4 391 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,2,0,0|0,0,0]=2 392 B10R2.32 BrC1=C2CCCC2CC1 T219266 [0,0,0,2,0,0|2,0,0]=4 393 B10R2.32 O=C1CCC2N1C=CC2 PH015928 [0,0,0,2,0,0|0,0,2]=4 394 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,2,0,0|1,0,0]=3 395 B10R2.37 [C@@H]12C=CC(=O)CC[C@@H]1C2 T169374 [0,0,0,2,0,0|1,0,1]=4 396 B10R2.37 [C@@H]12CCC(=O)CC[C@@H]1C2 T181390 [0,0,0,2,0,0|1,0,0]=3