0 B8R0.7 C(=O)OCCCC(=O)C R396036 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 CC(=CCCCCBr)C PH009497 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.7 CC(=O)NCCCCN CDS021099 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.7 CC(C)CCCCCN CDS001505 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 CCCCCCC(C)C S430935 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.7 CCCCCCC(C)Cl S564516 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.7 CCCCOCC(=O)O CDS008145 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.7 CCCCSCC(C)C S570567 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.7 CCCNCCC(=O)O OTV000481 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.7 CCSCCCC(=O)O PH008798 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.7 CN(C)CCCCCN CDS002923 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.7 COCCCNC(=S)N S649139 [0,0,0,0,0,0|3,1,0]=4 15 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.7 NCCCCCC(=O)N CDS015235 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.7 NCCCCNC(=S)S PH008612 [0,0,0,0,0,0|3,1,0]=4 18 B8R0.7 NCCSCCC(=O)O PH011733 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.7 O=C(O)CCNCCO S888699 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.7 O=C(O)CCOCCO CDS021155 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.1 C(=O)NCCCOC S363286 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.1 C/C=C\CCCCO S310700 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 C=CCCCCCO S303445 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.1 CCCCCC[Hg]Cl S572519 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.1 CCCCCON=O CDS000385 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.1 CCCCSCCC S367192 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 CCOCCCNN PH019429 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.1 CCSCCSCC S347876 [1,0,0,0,0,0|1,1,1]=4 29 B7R0.1 CNCCCCCO PH007838 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.1 COCCCCCO PH003271 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.4 C#CCOCC(=O)C S38874 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.4 C/C(=C\CCCBr)/Br S877557 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.4 C=C(Br)CCCCBr S881252 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 C=CCCOC(=O)C S510343 [1,0,0,0,0,0|0,0,2]=3 35 B7R0.4 CC(=O)NCCCO OTV000276 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.4 CC(=O)OCCCS S786683 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.4 CC(C)OCCCO CBR02059 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,0,0,0,0,0|0,0,2]=3 39 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.4 CCCCCC(=N)N CBR01197 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.4 CCCCCC(C)Cl CDS000285 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.4 CCCCNC(=S)N S565970 [1,0,0,0,0,0|2,1,0]=4 44 B7R0.4 CCCCSC(=N)N S500534 [1,0,0,0,0,0|2,1,0]=4 45 B7R0.4 CCCCSC(=N)N S557153 [1,0,0,0,0,0|2,1,0]=4 46 B7R0.4 CCCCSC(C)C S570605 [1,0,0,0,0,0|1,1,1]=4 47 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.4 CCCSCC(C)C S547131 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 CCOCCC(=N)N PH016244 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 CN(C)CCCCN CDS013751 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.4 COCCCC(C)O S671169 [1,0,0,0,0,0|1,0,2]=4 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|1,0,0]=2 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|2,0,0]=3 59 B7R0.4 NC(=O)COCCO S449792 [1,0,0,0,0,0|3,0,0]=4 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|1,0,0]=2 64 B9R0.1 [C@@H](O)(CO)CCC=C(C)C T232688 [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|2,0,1]=4 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|2,0,0]=3 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|2,0,0]=3 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|3,0,0]=4 75 B9R0.38 C[Si](C)(C)OCCCCBr T215228 [0,1,0,0,0,0|2,1,0]=4 76 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,1,0,0,0,0|1,0,1]=3 77 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,1,0,0,0,0|1,0,1]=3 78 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.46 CCCCCNC(=O)CCl S627690 [0,1,0,0,0,0|1,0,0]=2 80 B9R0.46 COC(=O)CCCCCBr S125334 [0,1,0,0,0,0|2,0,0]=3 81 B9R0.46 COCCCNC(=O)CCl PH017216 [0,1,0,0,0,0|2,0,0]=3 82 B9R0.47 CCCCCC(=O)C(C)C S357944 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.47 CCCCCC(O)C(C)C S431656 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,1,0,0,0,0|2,0,0]=3 85 B9R0.55 CC(=O)NCCNC(=O)C S389382 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,1,0,0|1,0,0]=2 88 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.6 NC(=O)N1CCNCC1 CDS002866 [0,0,0,1,0,0|3,0,0]=4 92 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [0,0,0,1,0,0|3,0,0]=4 94 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.7 CCCC1=NNC(=O)C1 PH011118 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,0,0,1,0,0|1,0,1]=3 98 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,0,1,0,0|1,0,0]=2 99 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,0,1,0,0|0,0,0]=1 101 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.13 O=C(O)C=C1CCCC1 S757934 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [0,0,0,1,0,0|1,0,1]=3 108 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.50 BrC1CCCCCCC1 PH011377 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.148 CC1(CCCCCC1)O S411949 [0,0,0,1,0,0|1,0,2]=4 111 B6R0.6 C=CCSCCC S357391 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|0,1,0]=3 113 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|1,0,0]=3 114 B6R0.6 CCCNCCC R580155 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.6 COCCCC=O CDS022820 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.6 COCCNC=O PH007296 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.6 [C-]#[N+]CCCOC PH015420 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.4 CC(=O)NCCCl CDS001220 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.4 CC(=O)OCCS S363049 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.4 CCC#CC(=O)C CDS000006 [2,0,0,0,0,0|0,0,2]=4 121 B6R0.4 CCCC=C(C)C S419117 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.4 CCCCC(=N)N PH017352 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.4 CCCCC(=S)N PH000512 [2,0,0,0,0,0|1,1,0]=4 124 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|0,1,0]=3 125 B6R0.4 CCNCC(=O)N S877379 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.4 CCNCC(=O)N S986194 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|2,0,0]=4 132 B8R0.1 C/C=C\C(O)CCCC S364290 [1,1,0,0,0,0|1,0,0]=3 133 B8R0.4 C#CCCCCC=CC T304468 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.4 C(=C/CCCCCO)\C T264652 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.4 C(=O)NCCOCCO S405213 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.4 CC#CCCCCCO T264709 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.4 CCCCCCCSC S570729 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.4 CCCCCSCCO S357928 [1,1,0,0,0,0|0,1,1]=4 139 B8R0.4 CCCCNCCCC S367869 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.4 CCCCNCCCC S503894 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.4 CCCCNCCCC S566152 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.4 CCNCCCCCO PH007898 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.4 CSCCCCCCO S931667 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.4 CSCCCCCSC S375896 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.6 CCCCCC(=O)SC CDS010601 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.6 CCOCCC(O)CC S347981 [1,1,0,0,0,0|0,0,1]=3 148 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|0,0,1]=3 149 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,1,0,0,0,0|1,0,0]=3 150 B8R0.5 CCOC(=O)CC(=O)C S813079 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.8 CCCCC(C)C(C)O S374199 [1,1,0,0,0,0|0,0,2]=4 153 B8R0.8 CCCCC(N)C(=O)N CDS003890 [1,1,0,0,0,0|1,0,0]=3 154 B8R0.8 CSCCC(O)C(=O)O PH000120 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.8 NCCCC(N)C(=O)O S594881 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.9 CC(=O)OCC(O)CCl PH006987 [1,1,0,0,0,0|1,0,0]=3 159 B8R0.9 CC(=O)SCC(C)CCl S344397 [1,1,0,0,0,0|1,1,0]=4 160 B8R0.9 CCC(=O)CCC(=O)O S574090 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.9 CCC(=O)COC(=O)C S362409 [1,1,0,0,0,0|0,0,1]=3 162 B8R0.9 CCC(O)CCC(C)C CDS000278 [1,1,0,0,0,0|1,0,1]=4 163 B8R0.21 CCCCCC(C)(C)O S431567 [1,1,0,0,0,0|0,0,2]=4 164 B8R0.21 CCCCCS(=O)(=O)O PH018433 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.21 CCCCC[Si](C)(Cl)Cl S584622 [1,1,0,0,0,0|1,1,0]=4 166 B8R0.21 CCCCOS(=O)(=O)C CDS014297 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.28 C=C(C)CCOC(=O)C S881171 [1,1,0,0,0,0|0,0,1]=3 168 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [1,1,0,0,0,0|1,0,1]=4 169 B8R0.28 CC(=O)CCCC(=O)N PH008391 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|0,0,0]=2 171 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.28 CC(=O)CCC[N+](=O)[O-] S885983 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.28 CC(=O)CCOC(=O)C PH003361 [1,1,0,0,0,0|0,0,1]=3 174 B8R0.28 CC(=O)COCC(=O)C S38912 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,1,0,0,0,0|1,0,0]=3 176 B8R0.28 CC(=O)OCCN(C)C PH011981 [1,1,0,0,0,0|1,0,0]=3 177 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,1,0,0,0,0|1,0,0]=3 178 B8R0.28 CC(C)COCC(=O)O CDS014100 [1,1,0,0,0,0|2,0,0]=4 179 B8R0.28 CC(C)NCCC(=O)N CDS021106 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [1,1,0,0,0,0|1,0,1]=4 181 B10R0.44 CC[C@@H](C)C[C@H](N)CC(=O)O PH001846 [0,2,0,0,0,0|2,0,0]=4 182 B10R0.57 CC(=O)OCC(Cl)C(Cl)CCl S502499 [0,2,0,0,0,0|1,0,0]=3 183 B10R0.77 CCN(CC)CCOC(=O)N PH001085 [0,2,0,0,0,0|2,0,0]=4 184 B10R0.4 C=C(C)COCOCCOC S890952 [0,2,0,0,0,0|2,0,0]=4 185 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,2,0,0,0,0|2,0,0]=4 186 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,2,0,0,0,0|2,0,0]=4 187 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,2,0,0,0,0|2,0,0]=4 188 B10R0.4 CCCCCCCCC(=O)N S595268 [0,2,0,0,0,0|2,0,0]=4 189 B10R0.4 CCCCCCCNC(=O)C R704377 [0,2,0,0,0,0|1,0,0]=3 190 B10R0.4 CCCCCCCNC(=O)N S516643 [0,2,0,0,0,0|2,0,0]=4 191 B10R0.4 COCCOCCOC(=O)C S705659 [0,2,0,0,0,0|0,0,0]=2 192 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [0,2,0,0,0,0|2,0,0]=4 193 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,2,0,0,0,0|1,0,1]=4 194 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,2,0,0,0,0|0,0,0]=2 195 B10R0.22 CCCCCCOS(=O)(=O)[O-] S617164 [0,2,0,0,0,0|2,0,0]=4 196 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,2,0,0,0,0|1,0,0]=3 197 B10R0.74 C(=O)/C(=C/C=C/CCCC)/C S881708 [0,2,0,0,0,0|1,0,1]=4 198 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,2,0,0,0,0|1,0,0]=3 199 B10R0.74 CCCCCCCC(=O)CC S544043 [0,2,0,0,0,0|1,0,0]=3 200 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,2,0,0,0,0|2,0,0]=4 201 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,2,0,0,0,0|2,0,0]=4 202 B10R0.74 CCCCCCNC(=O)NC S892793 [0,2,0,0,0,0|1,0,0]=3 203 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,2,0,0,0,0|0,0,0]=2 204 B10R0.74 CCCCCCOC(=S)S[K] S394122 [0,2,0,0,0,0|1,1,0]=4 205 B10R0.75 CCCCCCC(=O)C(C)C S350575 [0,2,0,0,0,0|1,0,0]=3 206 B10R0.75 CCOCCOC(=O)C(C)C R278068 [0,2,0,0,0,0|1,0,0]=3 207 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,2,0,0,0,0|2,0,0]=4 208 B10R0.78 C=C(C)CCC(O)COCC S312150 [0,2,0,0,0,0|2,0,0]=4 209 B10R0.15 CC(=O)OCCNC(C)(C)C PH012635 [0,2,0,0,0,0|1,0,0]=3 210 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [0,2,0,0,0,0|1,0,1]=4 211 B10R0.1 CCCCCOC(=O)CC#N S549703 [0,2,0,0,0,0|0,0,0]=2 212 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,2,0,0,0,0|2,0,0]=4 213 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [0,2,0,0,0,0|2,0,0]=4 214 B8R1.2 BrCC1CCOCC1 CDS013754 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.2 CNC1CCOCC1 CDS001741 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.2 COC1CC=CCC1 PH007914 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.2 NCC1CCOCC1 CDS003651 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.2 O=CC1CCCCO1 CDS019507 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.2 O=CC1CCNCC1 CDS013816 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.2 O=CC1CCSCC1 CDS020250 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.5 CC1SCCNC1=O R305707 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.5 NC1CCCNC1=O CDS020148 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.8 CCNC1CCCC1 CBR00868 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.8 CCOC1CCNC1 CDS023169 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.8 CNCC1CCOC1 CBR01975 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.11 CCC1CCNC1=O CBR01663 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.22 CC1=NCCCCN1 S168785 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.22 CC1CCCCCO1 T168866 [1,0,0,1,0,0|0,0,1]=3 232 B8R1.22 O=C1CCSCCN1 SYX00233 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.22 O=C1CNCCCN1 CDS019453 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.22 OC1CCCCCO1 S866032 [1,0,0,1,0,0|0,0,2]=4 235 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.1 CCC1CCC(C1)C R289752 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.1 O=C1CC(CN1)CO CDS002555 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.1 O=C1CCC(O1)CCl PH010125 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.1 O=C1OCC(O1)CCl S416657 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.4 CC1=CCCC(=O)C1 PH000095 [1,0,0,1,0,0|0,0,2]=4 244 B8R1.4 CC1CCCC(C1)N CDS007614 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.4 CC1CCCC(C1)S CDS023316 [1,0,0,1,0,0|0,1,1]=4 246 B8R1.4 CC1CCOC(O1)C S346918 [1,0,0,1,0,0|0,0,2]=4 247 B8R1.4 CC1CCOS(=O)O1 S359173 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.4 N1C(CCCC1C)C S379425 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.4 N1C(CCCC1C)C S379727 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.4 NC1CCNC(=O)C1 CDS024233 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.7 CC(C)C1CCCC1 R289671 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.7 NC(=O)C1CCCN1 CDS008010 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.7 O=C(O)C1CCNC1 CDS007406 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.19 CC1CCCS1(=O)=O S566659 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.34 NC(=O)OC1CSC1 T163708 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.34 O=C(O)CC1CNC1 PHB00031 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.72 C[N+]1(CCCCC1)C S347310 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.72 C[Si]1(CCCCC1)C S584983 [1,0,0,1,0,0|1,1,0]=4 261 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.31 CNC1CCN(C1)C(=O)C PH019360 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,1,0,1,0,0|2,0,0]=4 267 B10R1.16 C=CCCC1CCC(=O)C1 T221252 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.18 CC(=CN1CCCCC1)C S354880 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,1,0,1,0,0|1,0,0]=3 270 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,1,0,1,0,0|1,0,0]=3 271 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [0,1,0,1,0,0|1,0,0]=3 274 B10R1.18 CC(C)OC1CCCCO1 T332879 [0,1,0,1,0,0|1,0,1]=4 275 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.18 NC(=O)NC1CCCCC1 S375047 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.64 CC(=O)OC1CCC=C1O PH001829 [0,1,0,1,0,0|0,0,2]=4 294 B10R1.64 CN1CCCC1CC(=O)O PH018759 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,1,0,1,0,0|1,0,0]=3 298 B10R1.162 COC1=NC(CCCC1)C PH007837 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [0,1,0,1,0,0|1,0,1]=4 300 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [0,1,0,1,0,0|1,0,1]=4 301 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.7 C=C1CCCCCCC1O T181676 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.7 C=C1CCCCCCC1O T232742 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|1,0,0]=3 305 B10R1.15 CC(=C1CCCCC1)C#N T208450 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,1,0,1,0,0|1,0,1]=4 307 B10R1.15 CCC(=O)C1CCCNC1 CBR01650 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.15 CCC(=O)N1CCNCC1 CDS004028 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.15 CNC(=O)C1CCCNC1 CBR00913 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.15 CNC(=O)C1CCCNC1 CDS017102 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.15 CNC(=O)N1CCCCC1 S379557 [0,1,0,1,0,0|1,0,0]=3 312 B10R1.15 CNC(=S)N1CCCCC1 TMT00166 [0,1,0,1,0,0|1,1,0]=4 313 B10R1.15 COC(=O)N1CCNCC1 CDS013607 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.15 NCC(=O)N1CCCCC1 CDS002437 [0,1,0,1,0,0|1,0,0]=3 316 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.15 O=C(CBr)N1CCCCC1 CBR00242 [0,1,0,1,0,0|1,0,0]=3 318 B10R1.15 O=C(CI)N1CCCCC1 PH006191 [0,1,0,1,0,0|1,0,0]=3 319 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,1,0,1,0,0|1,0,1]=4 321 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N BBO000403 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.23 CN(C(=O)N)C1CCCC1 S345121 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [0,1,0,1,0,0|1,0,0]=3 326 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [0,1,0,1,0,0|1,0,0]=3 327 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,1,0,1,0,0|1,0,0]=3 328 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,1,0,1,0,0|0,0,0]=2 329 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.131 CNCC1CC(=O)N(C1)C CBR01734 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.176 CCC1CCC(=O)C(=O)C1 PH008686 [0,1,0,1,0,0|1,0,0]=3 333 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [0,1,0,1,0,0|2,0,0]=4 335 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,1,0,1,0,0|2,0,0]=4 337 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|1,0,0]=3 338 B10R2.62 O=C1NC2CCC1CC2 PH001109 [0,0,0,2,0,0|2,0,0]=4 339 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,2,0,0|2,0,0]=4 340 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,2,0,0|1,0,0]=3 341 B10R2.32 BrC1=C2CCCC2CC1 T219266 [0,0,0,2,0,0|2,0,0]=4 342 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,2,0,0|1,0,0]=3 343 B10R2.37 [C@@H]12C=CC(=O)CC[C@@H]1C2 T169374 [0,0,0,2,0,0|1,0,1]=4 344 B10R2.37 [C@@H]12CCC(=O)CC[C@@H]1C2 T181390 [0,0,0,2,0,0|1,0,0]=3