0 B8R0.6 C#CCCCC(=O)OC T287598 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C=CC(=O)OCCCC S444715 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.6 CCCCCC(=O)NN S849049 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.6 CCCCCC(=O)SC CDS010601 [0,0,0,0,0,0|0,1,2]=3 5 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.6 CCCCNC(=O)OC S352683 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.6 CCCCOC(=O)CCl S431451 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.6 CCCCOC(=O)CS S436992 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.6 CCOCCC(=O)OC PH000125 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.6 CCSCCC(=O)OC S365688 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.6 COC(=O)CNCC#N CDS021131 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.6 COC(=O)NCCC#N T284297 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.3 C(=C(/C)\CC)\CCO T295590 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.3 C=C(CC)CCCC CDS000215 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.3 CCC#CC(=O)OC T242845 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.3 CCCNC(=O)CCl OTV000047 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.3 CCCNC(=S)NC S512176 [1,0,0,0,0,0|2,1,0]=4 18 B7R0.3 CCCOC(=O)CBr PH011324 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.3 CCCOC(=O)CCl S431443 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.3 CCCOC(=O)CN PH019063 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.3 CCOCC(=O)OC EME00071 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.3 CNC(=O)OCCCl L163082 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.3 CNC(=O)OCCO S392650 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.3 CNCCC(=O)NC CBR01261 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 COC(=O)CCC#N S369640 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 C/C(=C\CCCBr)/Br S877557 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 CC(=O)NCCCO OTV000276 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 CC(=O)OCCCS S786683 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,0,0,0,0,0|0,0,0]=1 30 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.4 CCC/C=C/C(C)C R289590 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.4 CCC/C=C/C(C)C S369713 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.4 CCO/C=C/C(=O)O CDS016341 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.4 CSCCOC(=O)C S375721 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 N#CS/C=C\C(=O)O PH008397 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 NCCNCC(=O)O CDS000144 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 NCCOCC(=O)O T160229 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.1 COC(=O)CSCC(=O)C PH010376 [0,1,0,0,0,0|1,0,2]=4 44 B9R0.5 CCCCCC(=O)CCC S411825 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.5 CCCCNC(=O)CCC EME00389 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.5 CCCCNC(=O)NCC S802077 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.5 CCCCNC(=O)OCC S406988 [0,1,0,0,0,0|1,0,1]=3 49 B9R0.5 CCOC(=O)CCCCI S677175 [0,1,0,0,0,0|1,0,2]=4 50 B9R0.5 CCOC(=O)CCCCN CDS023812 [0,1,0,0,0,0|1,0,2]=4 51 B9R0.5 CCOC(=O)NCCCBr PH001320 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.8 C=CCOC(=O)C(=O)OC PH008416 [0,1,0,0,0,0|1,0,2]=4 53 B9R0.24 CCC(C)C#CC(=O)OC T330019 [0,1,0,0,0,0|0,0,2]=3 54 B9R0.34 C(=C(/C)\NC)\C(=O)OCC S373435 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [0,1,0,0,0,0|0,0,1]=2 56 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,1,0,0,0,0|0,0,2]=3 57 B9R0.46 COC(=O)CCCCCBr S125334 [0,1,0,0,0,0|0,0,2]=3 58 B9R0.47 CCCCCC(=O)C(C)C S357944 [0,1,0,0,0,0|1,0,2]=4 59 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,0,0,1,0,0|1,0,2]=4 61 B9R1.7 CCCC1=NNC(=O)C1 PH011118 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.7 CNCC1=NOC(=C1)C CDS006620 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.11 CCC(=O)C1=CCCC1 T246662 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.11 CNC(=O)C1CCCN1 CDS023077 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.11 COC(=O)C1CCCN1 CDS003215 [0,0,0,1,0,0|1,0,1]=3 67 B9R1.11 COC(=O)C1CCCN1 CDS004943 [0,0,0,1,0,0|1,0,1]=3 68 B9R1.11 COC(=O)[C@@H]1CCOC1 PHB00042 [0,0,0,1,0,0|1,0,2]=4 69 B9R1.50 O=C1C=CCCC=CC1 T182001 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.50 O=C1C=CCCCC=C1 T168912 [0,0,0,1,0,0|1,0,1]=3 71 B9R1.79 COC(=O)C=C1COC1 SYX00415 [0,0,0,1,0,0|1,0,0]=2 72 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.1 CC/C=C(\C)/CC R289574 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.1 CC/C=C(\C)/CC R289582 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.1 CCC(=O)COC CDS024044 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.1 CCOC(=O)NC PH010865 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.1 CCSC(=O)CC CDS001498 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.1 CNCC(=O)NC CBR00235 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.1 CNCC(=O)OC PH006931 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.1 COC(=O)/C=C\I SYX00331 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.1 [Li]OC(=O)CCC S813958 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.4 CC(=O)NCCCl CDS001220 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.4 CC(=O)OCCS S363049 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.4 CC/C=C/C(=O)Cl PH009861 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.4 CCC#CC(=O)C CDS000006 [2,0,0,0,0,0|0,0,2]=4 86 B6R0.4 CCCC=C(C)C S419117 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.4 CO/N=C/C(=O)O CDS023875 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|1,0,1]=4 92 B8R0.1 CC=CC(=O)NCCC T173770 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.3 C(=C(\C)/C(=O)OC)\CCl T297852 [1,1,0,0,0,0|1,0,0]=3 94 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,1,0,0,0,0|0,0,1]=3 96 B8R0.8 CCCCC(=O)N(C)C S939811 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.19 CCC(C)NC(=O)NC S724750 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.19 COC(=O)NC(=O)CCl PH010166 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|0,0,1]=3 103 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,1,0,0,0,0|0,0,2]=4 104 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [1,1,0,0,0,0|1,0,0]=3 105 B8R0.5 CCOC(=O)CC(=O)C S813079 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.5 CCOC(=O)NC(=O)C S357308 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.21 C(=C/C(C)(C)C)\CCC S411981 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [1,1,0,0,0,0|0,0,2]=4 110 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|0,0,2]=4 111 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,1,0,0,0,0|0,0,2]=4 113 B8R0.28 CC(C)COCC(=O)O CDS014100 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [1,1,0,0,0,0|1,0,1]=4 115 B10R0.3 CCOC(=O)COCC(C)C T332593 [0,2,0,0,0,0|1,0,1]=4 116 B10R0.44 COC(=O)/C=C(\C)/OC(=O)C S600717 [0,2,0,0,0,0|1,0,1]=4 117 B10R0.57 CCC(=O)/C(=C/CC(C)C)/C S84566 [0,2,0,0,0,0|1,0,0]=3 118 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,2,0,0,0,0|0,0,2]=4 119 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,2,0,0,0,0|0,0,2]=4 120 B10R0.2 CCN/C(=C/C(=O)OCC)/C S541214 [0,2,0,0,0,0|1,0,0]=3 121 B10R0.2 CCOC(=O)CC(=S)OCC S664936 [0,2,0,0,0,0|1,0,1]=4 122 B10R0.2 CCOC(=O)NC(=O)OCC PH006851 [0,2,0,0,0,0|2,0,0]=4 123 B10R0.2 CCOC(=O)[CH-]C(=O)OCC S602574 [0,2,0,0,0,0|1,0,1]=4 124 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [0,2,0,0,0,0|0,0,2]=4 125 B10R0.91 CCCCNC(=O)OCCI PH005343 [0,2,0,0,0,0|1,0,1]=4 126 B10R0.108 CCOC(=O)/C=C/C(=O)O[TlH2] S765627 [0,2,0,0,0,0|1,0,1]=4 127 B10R0.18 C=CCCC(=O)CC(=O)OC T272175 [0,2,0,0,0,0|0,0,2]=4 128 B10R0.55 C(=C/C(=O)OC)\CCC(=C)C T252778 [0,2,0,0,0,0|0,0,0]=2 129 B10R0.55 COC(=O)CNCCN(C)C CDS023468 [0,2,0,0,0,0|1,0,1]=4 130 B8R1.5 CC1CC=CCC1C T152838 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|0,0,1]=3 133 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.1 O=C1OCC(O1)CCl S416657 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.38 COC(=O)C1CCC1 S851957 [1,0,0,1,0,0|0,0,1]=3 137 B8R1.38 COC(=O)C1CNC1 CDS005119 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.40 CO/C(=N/C1CC1)/C T199370 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.83 COC(=O)C1CC1C EME00059 [1,0,0,1,0,0|0,0,1]=3 140 B8R1.7 OB(O)C1=CCCC1 CDS007916 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.34 O=C(O)C=C1CCC1 T165123 [1,0,0,1,0,0|0,0,0]=2 142 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [1,0,0,1,0,0|0,0,0]=2 143 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [0,1,0,1,0,0|0,0,2]=4 144 B10R1.14 COC(=O)C1=CSC(=N1)C SYX00285 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)F OMC00007 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.277 CC1CCCC(=O)CC1=O T271306 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.302 CC1(CC=CC(=O)CC1)C T202908 [0,1,0,1,0,0|1,0,0]=3 148 B10R1.11 CCOC(=O)C1=CCCC1 S942871 [0,1,0,1,0,0|0,0,0]=2 149 B10R1.78 C=C1C=CCCCCC=C1 T171050 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.78 O=C1C=CC=CCCCC1 T211648 [0,1,0,1,0,0|1,0,1]=4 151 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,1,0,1,0,0|1,0,0]=3 152 B10R1.96 CCCC1=NOC(=C1)CN CBR00832 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [0,1,0,1,0,0|0,0,2]=4 154 B10R1.15 COC(=O)C1CC=CCC1 EME00035 [0,1,0,1,0,0|0,0,2]=4 155 B10R1.15 COC(=O)C1CNCCO1 CDS024237 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.15 COC(=O)N1CCNCC1 CDS013607 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [0,1,0,1,0,0|0,0,2]=4 158 B10R1.94 CCCC1=C(C(=O)CC1)Br PH015992 [0,1,0,1,0,0|1,0,0]=3 159 B10R1.94 CCCC1=C(C(=O)CC1)O PH008317 [0,1,0,1,0,0|1,0,0]=3 160 B10R1.94 CCCC1=NOC(=C1C)N PH015285 [0,1,0,1,0,0|2,0,0]=4 161 B10R1.176 CCC1CCC(=O)C(=O)C1 PH008686 [0,1,0,1,0,0|1,0,1]=4 162 B10R1.411 COC(=O)C1(CCCC1)N PH010854 [0,1,0,1,0,0|0,0,2]=4 163 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [0,1,0,1,0,0|0,0,2]=4 164 B10R1.149 COC(=O)C1=C(SC=N1)C SYX00155 [0,1,0,1,0,0|1,0,1]=4 165 B10R1.149 COC(=O)C1=COC=C1C T208701 [0,1,0,1,0,0|0,0,2]=4 166 B10R1.149 COC(=O)C1CCOC1=O T260215 [0,1,0,1,0,0|1,0,1]=4 167 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N BBO000403 [0,1,0,1,0,0|0,0,2]=4 168 B10R1.1 C=CCC1C=CC(=O)CC1 T220426 [0,1,0,1,0,0|1,0,1]=4 169 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,1,0,1,0,0|1,0,1]=4 170 B10R2.178 O=C1C=CC2CCC1C2 T188239 [0,0,0,2,0,0|1,0,0]=3 171 B10R2.14 NC1=CC(=NO1)C2CC2 T315060 [0,0,0,2,0,0|2,0,0]=4 172 B10R2.37 [C@@H]12C=CC(=O)CC[C@@H]1C2 T169374 [0,0,0,2,0,0|1,0,0]=3 173 B10R2.37 [C@H]12C=CC(=C)CC[C@H]1C2 T181889 [0,0,0,2,0,0|2,0,0]=4