0 B6R0.4 C=C(Br)CCCO T297658 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C=CCNC(=O)C EME00415 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 C=CCOC(=S)N PH008714 [0,0,0,0,0,0|1,1,2]=4 3 B6R0.4 CC(=O)NCCCl CDS001220 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.4 CC(=O)OCCS S363049 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.4 CC(C)OCCN CDS000373 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.4 CC/C=C/C(=O)Cl PH009861 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.4 CCC#CC(=O)C CDS000006 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.4 CCCC=C(C)C S419117 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.4 CCCCC(=N)N PH017352 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.4 CCCCC(=S)N PH000512 [0,0,0,0,0,0|2,1,0]=3 11 B6R0.4 CCCNC(=N)N L254797 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.4 CCCSC(=O)C CDS000298 [0,0,0,0,0,0|0,1,0]=1 13 B6R0.4 CCCSC(C)C S570702 [0,0,0,0,0,0|1,1,1]=3 14 B6R0.4 CCNCC(=O)N S877379 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 CCNCC(=O)N S986194 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 CCSCC(=O)C S614262 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.4 CNCCC(=O)O CDS013939 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 CO/N=C/C(=O)O CDS023875 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.4 COCCC(=N)N CBR01198 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.4 CSCCC(=O)Cl CDS000414 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 CSCCC(C)C S351520 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.4 N#CCCC(=O)O CDS009069 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.4 NC(=O)CCCCl OTV000845 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.4 NC(=O)NCCCl CDS000493 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.4 NCCNC(=S)S S357634 [0,0,0,0,0,0|3,1,0]=4 26 B6R0.4 O=C(O)CCCS CDS004545 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 C=C(C)CSC S866024 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 C=COC(=O)C S458201 [1,0,0,0,0,0|0,0,2]=3 29 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 CC(C)CCCl S564524 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CCNC(=N)N PH018983 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CCOC(=S)N PH003667 [1,0,0,0,0,0|1,1,0]=3 34 B5R0.1 CCOC(=S)[S-] R464988 [1,0,0,0,0,0|1,1,0]=3 35 B5R0.1 CCOC(=S)[S-] R533475 [1,0,0,0,0,0|1,1,0]=3 36 B5R0.1 CN(C)CCBr PH011840 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 CN(C)CCO S573124 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.1 CNCC(C)C CDS000422 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 COCC(=N)N CBR01671 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 COC[C@@H](C)N CDS023796 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 COC[C@H](C)N CDS001149 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CSCC(=N)N OTV000870 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 N=C(N)CCO PH014361 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 C(=O)CCC=C CDS000721 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.2 C=CCNCC PH014544 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 C=CCSCC S620327 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 C=CSCCO PH007226 [1,0,0,0,0,0|1,1,1]=4 53 B5R0.2 CCC/C=N/O S429139 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 CCCCSC S447420 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 CCCC[Hg]Cl S829617 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.2 CCCNCC CDS000615 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.2 CCCOCC CDS000380 [1,0,0,0,0,0|0,0,1]=2 58 B5R0.2 CCNNCC S814563 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 CCOCCN CDS000379 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.2 CCSCCO PH011451 [1,0,0,0,0,0|1,1,1]=4 61 B5R0.2 CNCCCBr PH013730 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.2 COCCSC S698245 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.2 C=CC(C)OC(=O)C S413755 [0,1,0,0,0,0|0,0,2]=3 64 B7R0.2 CC(=O)NC(C)C=O PH018360 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.2 CCC(O)CC(C)C S447455 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.2 CCC(O)CC(C)O PH001987 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.2 CNC(C)CC(=O)N CBR01535 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.2 NC(=O)C[C@H](O)CO PH015444 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.3 C#CC(=O)OCC=C PH008724 [0,1,0,0,0,0|0,0,3]=4 77 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.3 C(=O)C(=C)CCCC R425885 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.3 C=C(CC)CCCC CDS000215 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.3 C=CCOC(=O)C=C S459836 [0,1,0,0,0,0|0,0,3]=4 81 B7R0.3 C=CCOC(=O)CBr PH008698 [0,1,0,0,0,0|0,0,2]=3 82 B7R0.3 CC(CN)OCCO PH007420 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 CCC#CC(=O)OC T242845 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.3 CCCCC(N)CC CDS021471 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 CCCNC(=O)CCl OTV000047 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.3 CCCNC(=S)NC S512176 [0,1,0,0,0,0|1,1,0]=3 87 B7R0.3 CCCN[C@@H](C)CO PH014617 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.3 CCCN[C@H](C)CO PH014618 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.3 CCCOC(=O)CBr PH011324 [0,1,0,0,0,0|0,0,0]=1 90 B7R0.3 CCCOC(=O)CCl S431443 [0,1,0,0,0,0|0,0,0]=1 91 B7R0.3 CCCOC(=O)CN PH019063 [0,1,0,0,0,0|0,0,0]=1 92 B7R0.3 CCCSC(C)CC S570672 [0,1,0,0,0,0|1,1,1]=4 93 B7R0.3 CCOCC(=O)OC EME00071 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.3 CCSCS(=O)CC S697834 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.3 CNC(=O)OCCCl L163082 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.3 CNC(=O)OCCO S392650 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.3 CNCCC(=O)NC CBR01261 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.3 COC(=O)CCC#N S369640 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.3 COCCC(=O)NN CDS018970 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.3 NNC(=O)CCCO CDS001562 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.3 NNC(=O)OCCO S749680 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.4 C#CCOCC(=O)C S38874 [0,1,0,0,0,0|0,0,2]=3 103 B7R0.4 C/C(=C\CCCBr)/Br S877557 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.4 C=C(Br)CCCCBr S881252 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.4 C=CCCOC(=O)C S510343 [0,1,0,0,0,0|0,0,1]=2 106 B7R0.4 C=CCOCC(=O)O CDS023318 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.4 CC(=O)NCCCO OTV000276 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.4 CC(=O)OCCCS S786683 [0,1,0,0,0,0|0,0,0]=1 109 B7R0.4 CC(C)OCCC#N S563188 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.4 CC(C)OCCCO CBR02059 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.4 CC(C)OCCNN PH019433 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.4 CCC/C=C/C(C)C R289590 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.4 CCC/C=C/C(C)C S369713 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.4 CCCCCC(=N)N CBR01197 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.4 CCCCCC(C)Cl CDS000285 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.4 CCCCNC(=O)C CDS013581 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.4 CCCCNC(=S)N S565970 [0,1,0,0,0,0|2,1,0]=4 120 B7R0.4 CCCCSC(=N)N S500534 [0,1,0,0,0,0|2,1,0]=4 121 B7R0.4 CCCCSC(=N)N S557153 [0,1,0,0,0,0|2,1,0]=4 122 B7R0.4 CCCCSC(C)C S570605 [0,1,0,0,0,0|1,1,1]=4 123 B7R0.4 CCCNC[C@@H](C)O PH016360 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.4 CCCSCC(C)C S547131 [0,1,0,0,0,0|1,1,1]=4 125 B7R0.4 CCO/C=C/C(=O)O CDS016341 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.4 CCOCCC(=N)N PH016244 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.4 CCOCCC(=O)O S448745 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.4 CN(C)CCCCN CDS013751 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.4 CNCCCC(=O)O PH006886 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.4 COCCCC(=O)O CDS021485 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.4 COCCCC(C)O S671169 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.4 COCCNC(C)C CDS000174 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.4 CSCCCC(=O)O OTV000795 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.4 CSCCOC(=O)C S375721 [0,1,0,0,0,0|0,0,0]=1 135 B7R0.4 N#CCCCC(=O)O CDS007802 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.4 NC(=O)CCCCO S441481 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.4 NC(=O)COCCO S449792 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.4 NCCNCC(=O)O CDS000144 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.4 NCCOCC(=O)O T160229 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.5 C=C(CCC)C(C)C R289221 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.5 CC(=O)N(C)CCN PH019599 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.5 CC(=O)N(C)CCO CBR01454 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.5 CCCC(=C(C)C)C R289469 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.5 CCCC(C)C(C)O S433373 [0,1,0,0,0,0|1,0,2]=4 146 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.5 CCOC(C)C(=O)O CBR01494 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.5 CCSC(C)C(=O)O CBR01403 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.5 CNCC(C)C(=O)O CBR01429 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.5 NCCC(N)C(=O)O PH018181 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.6 C=C(C)COC(=O)N S352055 [0,1,0,0,0,0|1,0,1]=3 153 B7R0.6 C=C(Cl)CSC(=O)C SYX00321 [0,1,0,0,0,0|0,1,2]=4 154 B7R0.6 CC(=O)SCC(Cl)Cl S340472 [0,1,0,0,0,0|1,1,0]=3 155 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.6 CC(C)CCC(=N)N CBR00806 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.6 CC(C)CCC(=N)N PH014985 [0,1,0,0,0,0|3,0,0]=4 158 B7R0.6 CC(C)CCC(=O)Cl PH015411 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.6 CC(C)CC[C@@H](C)N PH017936 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.6 CC(C)CC[C@@H](C)N S408158 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.6 CC(C)CNC(C)C CBR01340 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.6 CC(C)COC(=O)N S362840 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.6 CC(C)CSC(C)C S547204 [0,1,0,0,0,0|1,1,1]=4 164 B7R0.6 CC(C)SCC(=O)O OTV000315 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.6 CN(C)CCC(=O)O CDS000423 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.6 CN(C)CCC(=O)O CDS013778 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.6 CS(=O)CCS(=O)C PH008108 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.8 CCCC[N+](C)(C)C S949825 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.8 CNCCS(=O)(=O)C CDS005459 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.8 CS(=O)(=O)CCCN T160539 [0,1,0,0,0,0|3,0,0]=4 172 B7R1.2 CC1=NOC(=N1)C PH016136 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.2 CC1CCC(N1)C S652032 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.2 CC1CNC(=S)S1 S920002 [0,0,0,1,0,0|2,1,0]=4 175 B7R1.2 CC1COC(=O)C1 PH007953 [0,0,0,1,0,0|0,0,0]=1 176 B7R1.2 CC1COC(=O)N1 CBR01603 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.2 CC1COS(=O)O1 S409928 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.2 CC1OC(=O)CS1 PH007278 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,0,0,1,0,0|1,0,0]=2 181 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.2 O=C1CC(CO1)O S672874 [0,0,0,1,0,0|1,0,0]=2 183 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 CC1=NCCCN1 PH016717 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.3 CC1=NCCCS1 PH000571 [0,0,0,1,0,0|1,1,0]=3 188 B7R1.3 CC1CNCCO1 CDS022716 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 CC1NCCCS1 T149675 [0,0,0,1,0,0|1,1,1]=4 190 B7R1.3 IC1=CCCCC1 PH008510 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.3 NC1CCCCC1 S512877 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.3 NC1CCCCC1 S669822 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.3 NC1CCCCC1 S926507 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.3 O=C1CCCNC1 CDS006090 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 O=C1COCCN1 T160245 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.3 O=C1COCCO1 PH009771 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.3 O=C1CSCCN1 PH010392 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 O=C1NCCCN1 S436712 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.3 O=C1NCCCO1 CBR00063 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.3 O=C1OCCCO1 S939668 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.3 O=S1CCCSC1 S885002 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.3 O=S1CCNCC1 CDS019871 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.7 CCCNC1CC1 CBR00141 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.12 CC1CC1C(=O)N EME00444 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.14 CC1(CCCN1)C CDS009329 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.17 CC1CCS1(=O)=O T172936 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.17 [C@@H]1(CCS1(=O)=O)C T176281 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.18 CC(O)C1CCC1 CDS021460 [0,0,0,1,0,0|1,0,2]=4 209 B7R1.18 NC(=O)C1CCC1 S680745 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.18 NC(=O)C1CNC1 PHB00032 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.18 O=C(O)C1CCN1 CDS008419 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.20 CC(=O)CC1CC1 PH014420 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.20 O=C(O)CC1CC1 CDS000888 [0,0,0,1,0,0|2,0,0]=3 214 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,0]=3 216 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|1,0,0]=3 218 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|1,1,0]=4 219 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|0,1,0]=3 221 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.1 O=C([O-])CO CDS000626 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.2 C=CCCN CDS021978 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.2 CCCC[NH3+] S342920 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.1 C=C(CO)CCO T293814 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.1 CC/C=C(\C)/CC R289574 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.1 CC/C=C(\C)/CC R289582 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.1 CC/C=C(\C)/CO S888702 [1,1,0,0,0,0|0,0,2]=4 230 B6R0.1 CCC(=O)COC CDS024044 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.1 CCC(=O)OCS PH000959 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.1 CCCC(C)NC PH018184 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.1 CCCC(N)CC CBR01120 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.1 CCNC(=O)CBr CBR01984 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.1 CCNC(=O)CCl TMT00299 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.1 CCOC(=O)NC PH010865 [1,1,0,0,0,0|0,0,0]=2 237 B6R0.1 CCOC(=O)N[O-] S859273 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.1 CCOC(=S)S[TlH2] S828327 [1,1,0,0,0,0|1,1,0]=4 239 B6R0.1 CCSC(=O)CC CDS001498 [1,1,0,0,0,0|0,1,0]=3 240 B6R0.1 CNCC(=O)NC CBR00235 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.1 CNCC(=O)OC PH006931 [1,1,0,0,0,0|1,0,0]=3 242 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|1,0,0]=3 243 B6R0.2 C=C(C)CC(C)C R289256 [1,1,0,0,0,0|1,0,0]=3 244 B6R0.2 CC(=CC(C)C)C R289302 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.2 CC(=N)CC(=O)C S366234 [1,1,0,0,0,0|0,0,1]=3 246 B6R0.2 CC(=O)NC(C)C S378992 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.2 CC(=O)SC(=O)C R425621 [1,1,0,0,0,0|0,1,1]=4 248 B6R0.2 CC(=S)CC(=O)N S704164 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.2 CC(C)CC(=O)[O-] S693154 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.2 CC(C)OC(=S)N PH008713 [1,1,0,0,0,0|1,1,0]=4 251 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|1,0,0]=3 252 B6R0.2 CN(C)CC(=O)Cl CDS013657 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.3 CC(CN)C(=O)O CDS014136 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.3 CC(CS)C(=O)O CDS000283 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.3 CCC(C)C(=O)N S799637 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.3 CCC(C)[N+](=O)[O-] S919179 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.3 CCC(N)C(=O)N S784044 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.3 CCC(O)C(=O)O CDS000492 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.3 CNC(C)C(=O)N CBR00065 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.3 NCC(N)C(=O)O R278769 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.5 CCCS(=O)(=O)[S-] S47857 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.5 CS(=O)(=O)CCN CDS005167 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.6 C=CCSCCC S357391 [1,1,0,0,0,0|0,1,1]=4 266 B6R0.6 CCCCCSC S357952 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.6 CCCCNC=O S550981 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.6 CCCNCCC R580155 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.6 CCCOCC#N PH011429 [1,1,0,0,0,0|0,0,2]=4 270 B6R0.6 CCCSCCO S408859 [1,1,0,0,0,0|0,1,1]=4 271 B6R0.6 CCOCC[Hg]Cl S564443 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.6 CCSCCCO PH017932 [1,1,0,0,0,0|0,1,1]=4 273 B6R0.6 COCCCC=O CDS022820 [1,1,0,0,0,0|1,0,0]=3 274 B6R0.6 COCCN=C=O CBR02010 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.6 COCCNC=O PH007296 [1,1,0,0,0,0|1,0,0]=3 276 B6R0.6 NCCOCCN CDS000024 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.16 CC(=O)OC(CCl)CCl PH007003 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.19 CCC(C)NC(=O)NC S724750 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.23 C(Cl)(Cl)C(O)NC(=O)C PH009005 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,2,0,0,0,0|1,0,1]=4 289 B8R0.23 CC(=O)ON(C)C(=O)C S295159 [0,2,0,0,0,0|1,0,1]=4 290 B8R0.23 CC(C)CC(N)C(=O)N S788902 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.23 CC(C)C[C@H](N)C(=O)N CDS003478 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.34 C=C(C)CC(C)(O)CC S433195 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.34 CCC(C)(C)OC(=O)C S851981 [0,2,0,0,0,0|0,0,0]=2 297 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.34 COC(C)(C)CC(=O)C CDS001275 [0,2,0,0,0,0|2,0,0]=4 299 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,2,0,0,0,0|0,0,2]=4 300 B8R0.1 CC=CC(=O)NCCC T173770 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.1 CCCCC(=O)CCC S456489 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.1 CCCNC(=O)NCC S805858 [0,2,0,0,0,0|1,0,0]=3 303 B8R0.1 CCCNC(=O)OCC S361909 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.1 CCOC(=O)CCOC CDS025273 [0,2,0,0,0,0|2,0,0]=4 305 B8R0.1 CCOC(=O)NCCO S391980 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.1 N#CCC(=O)NCCO S550701 [0,2,0,0,0,0|2,0,0]=4 307 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,2,0,0,0,0|1,0,0]=3 309 B8R0.6 C#CCCCC(=O)OC T287598 [0,2,0,0,0,0|1,0,1]=4 310 B8R0.6 C=CC(=O)OCCCC S444715 [0,2,0,0,0,0|0,0,1]=3 311 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,2,0,0,0,0|1,0,0]=3 312 B8R0.6 CCCCCC(=O)NN S849049 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.6 CCCCCC(=O)SC CDS010601 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,2,0,0,0,0|1,0,0]=3 315 B8R0.6 CCCCNC(=O)OC S352683 [0,2,0,0,0,0|1,0,0]=3 316 B8R0.6 CCCCOC(=O)CCl S431451 [0,2,0,0,0,0|0,0,0]=2 317 B8R0.6 CCCCOC(=O)CS S436992 [0,2,0,0,0,0|0,0,0]=2 318 B8R0.6 CCOCCC(=O)OC PH000125 [0,2,0,0,0,0|1,0,0]=3 319 B8R0.6 CCSCCC(=O)OC S365688 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.6 COC(=O)NCCC#N T284297 [0,2,0,0,0,0|1,0,1]=4 321 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.8 CCCCC(=O)N(C)C S939811 [0,2,0,0,0,0|1,0,0]=3 323 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.8 CCCCC(N)C(=O)N CDS003890 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.8 CN(C)C(=O)CCCN CBR00927 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.8 NCCCC(N)C(=O)O S594881 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,2,0,0,0,0|2,0,0]=4 330 B8R0.9 C=C(C)CNC(=O)CCl PH008781 [0,2,0,0,0,0|1,0,1]=4 331 B8R0.9 C=CC(=O)OCC(C)O S511951 [0,2,0,0,0,0|0,0,1]=3 332 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [0,2,0,0,0,0|0,0,1]=3 333 B8R0.9 CC(=O)OCC(O)CCl PH006987 [0,2,0,0,0,0|0,0,0]=2 334 B8R0.9 CC(=O)SCC(C)CCl S344397 [0,2,0,0,0,0|0,1,0]=3 335 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.9 CC(C)OCC(O)CCl S553190 [0,2,0,0,0,0|1,0,1]=4 337 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.9 CCC(=O)COC(=O)C S362409 [0,2,0,0,0,0|0,0,0]=2 339 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,2,0,0,0,0|1,0,1]=4 340 B8R0.9 COC(=O)CNC(=O)C S785687 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.25 CCCCS(=O)(=O)CC S775738 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.7 C(=O)OCCCC(=O)C R396036 [0,2,0,0,0,0|1,0,1]=4 343 B8R0.7 CC(=CCCCCBr)C PH009497 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.7 CC(=O)NCCCCN CDS021099 [0,2,0,0,0,0|1,0,0]=3 345 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,2,0,0,0,0|1,0,0]=3 347 B8R0.7 CCCCOCC(=O)O CDS008145 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,2,0,0,0,0|0,0,0]=2 349 B8R0.7 CCCNCCC(=O)O OTV000481 [0,2,0,0,0,0|2,0,0]=4 350 B8R0.7 CCSCCCC(=O)O PH008798 [0,2,0,0,0,0|2,0,0]=4 351 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,2,0,0,0,0|2,0,0]=4 352 B8R0.7 NCCCCCC(=O)N CDS015235 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.7 NCCSCCC(=O)O PH011733 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.7 O=C(O)CCNCCO S888699 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.7 O=C(O)CCOCCO CDS021155 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.21 CC(C)(C)OCCCCl S261300 [0,2,0,0,0,0|1,0,1]=4 357 B8R0.21 CCCCOS(=O)(=O)C CDS014297 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.21 COCCOP(=O)([O-])[O-] S859184 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.21 C[Si](C)(C)OCCCO PH008513 [0,2,0,0,0,0|1,1,0]=4 360 B8R0.21 O=S(=O)([O-])OCCCI S604070 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.28 C=C(C)CCOC(=O)C S881171 [0,2,0,0,0,0|0,0,0]=2 362 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.28 CC(=O)CCCC(=O)N PH008391 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.28 CC(=O)CCCC(C)C CDS000306 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.28 CC(=O)CCCN(C)C PH014778 [0,2,0,0,0,0|1,0,0]=3 366 B8R0.28 CC(=O)CCC[N+](=O)[O-] S885983 [0,2,0,0,0,0|2,0,0]=4 367 B8R0.28 CC(=O)CCOC(=O)C PH003361 [0,2,0,0,0,0|0,0,0]=2 368 B8R0.28 CC(=O)COCC(=O)C S38912 [0,2,0,0,0,0|0,0,1]=3 369 B8R0.28 CC(=O)CSCC(C)C EME00074 [0,2,0,0,0,0|0,1,0]=3 370 B8R0.28 CC(=O)NCNC(=O)C PH003004 [0,2,0,0,0,0|1,0,1]=4 371 B8R0.28 CC(=O)OCCN(C)C PH011981 [0,2,0,0,0,0|0,0,0]=2 372 B8R0.28 CC(C)CCCC(=O)O CDS003381 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.28 CC(C)COCC(=O)O CDS014100 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.28 CC(C)COCC(C)O CDS018532 [0,2,0,0,0,0|0,0,2]=4 375 B8R0.28 CC(C)NCCC(=O)N CDS021106 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.28 CC(O)COCC(C)O PH011069 [0,2,0,0,0,0|0,0,2]=4 377 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.12 CCCC(C)(C)C(=O)C PH011400 [0,2,0,0,0,0|1,0,0]=3 379 B8R0.12 CCCC(C)(O)C(=O)C PH007070 [0,2,0,0,0,0|1,0,0]=3 380 B8R0.15 CCN(CCO)C(=O)C PH010390 [0,2,0,0,0,0|2,0,0]=4 381 B8R0.29 CC(=O)CC[N+](C)(C)C S915017 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.29 CC(C)(C)CCC(=O)O CDS009242 [0,2,0,0,0,0|2,0,0]=4 383 B8R0.29 CC(C)(N)CCC(=O)O T160458 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.29 O=C(Cl)OCC(F)(F)F CDS021574 [0,2,0,0,0,0|2,0,0]=4 385 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,1,0,0|0,0,2]=4 386 B6R1.2 O=C1NCCS1 CDS011623 [1,0,0,1,0,0|1,1,0]=4 387 B6R1.2 OC1CCCO1 CDS007077 [1,0,0,1,0,0|0,0,2]=4 388 B6R1.2 P1(=O)OCCO1 S428957 [1,0,0,1,0,0|2,0,0]=4 389 B6R1.5 O=C1CC(C1)Br SYX00267 [1,0,0,1,0,0|1,0,0]=3 390 B6R1.8 CCC1CC1N CDS012189 [1,0,0,1,0,0|1,0,1]=4 391 B6R1.9 CC1CC1(C)C R289639 [1,0,0,1,0,0|1,0,1]=4 392 B6R1.10 O=S1(=O)CCC1 S620734 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.11 CC(C)C1CC1 R289612 [1,0,0,1,0,0|1,0,1]=4 394 B6R1.11 CC(N)C1CC1 CDS018130 [1,0,0,1,0,0|1,0,1]=4 395 B6R1.11 C[C@@H](N)C1CC1 CDS000831 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.11 NC(=O)C1CC1 S455989 [1,0,0,1,0,0|1,0,0]=3 397 B6R1.11 NC(=S)C1CC1 PH011536 [1,0,0,1,0,0|1,1,0]=4 398 B6R1.1 C1COCCN1 S503576 [1,0,0,1,0,0|1,0,1]=4 399 B6R1.1 C1COCCN1 S579327 [1,0,0,1,0,0|1,0,1]=4 400 B6R1.1 C1COCCN1 S683396 [1,0,0,1,0,0|1,0,1]=4 401 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,1,0,0|1,0,0]=3 402 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.1 O=C1OCC(O1)CCl S416657 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.4 CC1CCOC(O1)C S346918 [0,1,0,1,0,0|0,0,2]=4 410 B8R1.4 CC1CCOS(=O)O1 S359173 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.4 CC1COCC(N1)C CDS019404 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.4 OC1C=C(CCC1)Br T262986 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,1,0,0|0,0,0]=2 417 B8R1.34 CC(C)OC1CNC1 CDS008325 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.34 NC(=O)OC1CSC1 T163708 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.34 O=C(O)CC1CNC1 PHB00031 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.40 CO/C(=N/C1CC1)/C T199370 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.51 CC1(CNC(=O)O1)C T283703 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.51 CC1(COC(=O)N1)C CBR01583 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.51 CC1COC(O1)(C)C T332623 [0,1,0,1,0,0|0,0,2]=4 428 B8R1.51 CC1NC(CO1)(C)C PH016117 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.83 COC(=O)C1CC1C EME00059 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.2 CCC1=NCCCS1 PH008217 [0,1,0,1,0,0|1,1,0]=4 431 B8R1.2 CCC1=NOCCO1 PH016313 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.2 ClCC1OCCCO1 S866008 [0,1,0,1,0,0|0,0,2]=4 433 B8R1.2 NCC1=CCCCC1 CBR00863 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.2 NCC1CCCCO1 CDS006458 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.2 NCC1CCCCO1 CDS006719 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.2 O=CC1=COCCO1 CDS007966 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.2 O=CC1CCCCO1 CDS019507 [0,1,0,1,0,0|0,0,1]=3 438 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.3 O=C1CCC(CC1)O T292184 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.5 CC1SCCNC1=O R305707 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.5 FC1=C(CCCC1)Br S896187 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.5 OC1CCCC=C1Br T272590 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.22 CC1=NCCCCN1 S168785 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.22 CC1CCCCCO1 T168866 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.22 O=C1CCSCCN1 SYX00233 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.22 O=C1CNCCCN1 CDS019453 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.22 O=C1CSCCSC1 CBR01192 [0,1,0,1,0,0|1,1,0]=4 454 B8R1.22 OC1CCCCCO1 S866032 [0,1,0,1,0,0|0,0,2]=4 455 B8R1.22 S=C1NCCCCN1 PH000173 [0,1,0,1,0,0|1,1,0]=4 456 B8R1.38 COC(=O)C1CCC1 S851957 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.38 COC(=O)C1CNC1 CDS005119 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.38 NNC(=O)C1CCC1 CBR00212 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.50 CC1=NOC(=O)C1C PH007712 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.50 CC1C(=O)COC1=O S839418 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.52 CC1(CCCO1)C#N CBR00119 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.7 N=C(N)C1CCCO1 PH015042 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.19 CN1CCOC1(C)C T152765 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.19 CN1CCOS1(=O)=O SYX00442 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.72 CC1(CNCCO1)C CDS019319 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.23 O=C(O)C1CC(C1)F CDS023094 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,1,0,1,0,0|2,0,0]=4