0 B6R0.2 C=C(C)CC(C)C R289256 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(=CC(C)C)C R289302 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.2 CC(=CN(C)C)C S365297 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=N)CC(=O)C S366234 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.2 CC(=O)NC(C)C S378992 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.2 CC(=O)SC(=O)C R425621 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(=S)CC(=O)N S704164 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(C)CC(=O)[O-] S693154 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.2 CC(C)OC(=S)N PH008713 [0,0,0,0,0,0|2,1,0]=3 9 B6R0.2 CC(Cl)CC(=O)O S419621 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CN(C)CC(=O)Cl CDS013657 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 NC(=O)CC(=O)O S937436 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C(=O)CC(C)O CDS019977 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.1 C(=O)NC(C)C S378380 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 C=C(C)CSC S866024 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 C=COC(=O)C S458201 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.1 CC(Br)CC#N CDS003547 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(C)C=NO S388378 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CC(C)CCCl S564524 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CC(O)CNN CBR01627 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CCNC(=N)N PH018983 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CCOC(=S)N PH003667 [1,0,0,0,0,0|2,1,0]=4 24 B5R0.1 CCOC(=S)[S-] R464988 [1,0,0,0,0,0|2,1,0]=4 25 B5R0.1 CCOC(=S)[S-] R533475 [1,0,0,0,0,0|2,1,0]=4 26 B5R0.1 CN(C)CCBr PH011840 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CN(C)CCO S573124 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 CNCC(C)C CDS000422 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 COCC(=N)N CBR01671 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 COC[C@@H](C)N CDS023796 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 COC[C@H](C)N CDS001149 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 CSCC(=N)N OTV000870 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 N=C(N)CCO PH014361 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.2 C=C(CO)CC(C)C T296279 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.2 C=C(Cl)C[C@H](O)CO T269794 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 C=CC(C)OC(=O)C S413755 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.2 C=CC(O)CC(C)C PH008414 [0,1,0,0,0,0|0,0,3]=4 43 B7R0.2 CC(=O)NC(C)C=O PH018360 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.2 CC(C)CC(=O)C#N R260371 [0,1,0,0,0,0|0,0,1]=2 45 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.2 CC(C)OC(=O)CS S593931 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.2 CC(C)OC(=O)NF PH009513 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.2 CC(CCl)CN(C)C R276561 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.2 CC(CN)CN(C)C CBR00154 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 CCC(O)CC(C)C S447455 [0,1,0,0,0,0|0,0,2]=3 54 B7R0.2 CCC(O)CC(C)O PH001987 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.2 CN(C)CC(=O)NN CDS000357 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.2 CN(C)CC(O)CN CBR02389 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.2 CNC(=O)CC(=N)N CBR01542 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.2 CNC(C)CC(=O)N CBR01535 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.2 COC(=O)CC(C)Cl S559458 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.2 COC(=O)NC(C)C PH006940 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.2 NC(=O)C[C@H](O)CO PH015444 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.2 O=[N+]([O-])CC(Cl)CCl S885096 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.9 CC(=O)CC(C)(C)S CDS009189 [0,1,0,0,0,0|0,0,0]=1 71 B7R0.9 CC(=O)CC(F)(F)F CDS003132 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.9 CC(C)(C)NC(=S)N PH011066 [0,1,0,0,0,0|2,1,0]=4 73 B7R0.9 CC(C)CC(C)(C)N CBR01536 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.9 CC(C)CC(C)(C)O S679178 [0,1,0,0,0,0|0,0,2]=3 75 B7R0.9 CC(C)CS(=O)(=O)[S-] S64026 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.9 CC(C)NS(=O)(=O)C PH007925 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.9 CC(C)NS(=O)(=O)Cl CDS007305 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.9 CC(C)NS(=O)(=O)O PH009579 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.9 CC(C)SC(C)(C)C S570680 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.9 CC(O)CC(C)(C)S CDS012171 [0,1,0,0,0,0|0,0,2]=3 81 B7R0.9 CN(C)CC(C)(C)N CBR01568 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.9 CN(C)NS(=O)(=O)C PH009301 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.9 CS(=O)(=O)CC(=O)N S614475 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.9 CS(=O)(=O)CC(=O)O CDS014245 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.9 O=C(Cl)CC(F)(F)F CDS010609 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,1,0,0,0,0|0,0,2]=3 87 B7R0.16 CC(=O)N(C)C(=O)C S511196 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.16 CC(O)C(N)C(=O)N S781339 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.16 O=C(O)C(F)C(Cl)Cl S28488 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [0,1,0,0,0,0|1,0,0]=2 94 B7R1.2 CC1CCC(N1)C S652032 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.2 CC1CNC(=S)S1 S920002 [0,0,0,1,0,0|2,1,0]=4 96 B7R1.2 CC1COC(=O)C1 PH007953 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.2 CC1COC(=O)N1 CBR01603 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.2 CC1COS(=O)O1 S409928 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.2 CC1OC(=O)CS1 PH007278 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.2 O=C1CC(CO1)O S672874 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.12 CC1CC1C(=O)N EME00444 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.16 O=S1(=O)CC(C1)Cl SYX00116 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.20 CC(=O)CC1CC1 PH014420 [0,0,0,1,0,0|0,0,0]=1 108 B7R1.20 O=C(O)CC1CC1 CDS000888 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.32 CC1(CC1(C)C)C R289647 [0,0,0,1,0,0|1,0,1]=3 110 B5R0.5 C=C(C)C(=O)C CDS000556 [0,0,0,0,1,0|0,0,2]=3 111 B5R0.5 C=C(C)C(=O)[O-] S457930 [0,0,0,0,1,0|1,0,2]=4 112 B5R0.5 C=C(C)C(=O)[O-] S460389 [0,0,0,0,1,0|1,0,2]=4 113 B5R0.5 C=C(C)C(=O)[O-] S461806 [0,0,0,0,1,0|1,0,2]=4 114 B5R0.5 C=C(C)C(C)O T277479 [0,0,0,0,1,0|2,0,0]=3 115 B5R0.5 CC(=O)C(C)F CDS002853 [0,0,0,0,1,0|1,0,0]=2 116 B5R0.5 CC(=S)N(C)C S622877 [0,0,0,0,1,0|1,1,0]=3 117 B5R0.5 CC(C)C(=N)N CDS015019 [0,0,0,0,1,0|2,0,0]=3 118 B5R0.5 CC(C)C(=S)N PH006913 [0,0,0,0,1,0|1,1,0]=3 119 B5R0.5 CC(O)C(=O)[O-] S933260 [0,0,0,0,1,0|2,0,0]=3 120 B7R0.6 C=C(C)COC(=O)N S352055 [0,0,0,0,0,1|1,0,2]=4 121 B7R0.6 C=C(Cl)CSC(=O)C SYX00321 [0,0,0,0,0,1|1,0,2]=4 122 B7R0.6 CC(=NNC(=O)N)C S449784 [0,0,0,0,0,1|2,0,1]=4 123 B7R0.6 CC(=O)SCC(Cl)Cl S340472 [0,0,0,0,0,1|2,0,0]=3 124 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [0,0,0,0,0,1|1,0,1]=3 125 B7R0.6 CC(C)/C=C/C(C)C R289566 [0,0,0,0,0,1|1,0,2]=4 126 B7R0.6 CC(C)CCC(=N)N CBR00806 [0,0,0,0,0,1|2,0,0]=3 127 B7R0.6 CC(C)CCC(=N)N PH014985 [0,0,0,0,0,1|2,0,0]=3 128 B7R0.6 CC(C)CCC(=O)Cl PH015411 [0,0,0,0,0,1|1,0,0]=2 129 B7R0.6 CC(C)CC[C@@H](C)N PH017936 [0,0,0,0,0,1|1,0,1]=3 130 B7R0.6 CC(C)CC[C@@H](C)N S408158 [0,0,0,0,0,1|1,0,1]=3 131 B7R0.6 CC(C)CNC(C)C CBR01340 [0,0,0,0,0,1|1,0,1]=3 132 B7R0.6 CC(C)COC(=O)N S362840 [0,0,0,0,0,1|1,0,0]=2 133 B7R0.6 CC(C)CSC(C)C S547204 [0,0,0,0,0,1|1,0,1]=3 134 B7R0.6 CC(C)NNC(C)C S764884 [0,0,0,0,0,1|2,0,1]=4 135 B7R0.6 CC(C)SCC(=O)O OTV000315 [0,0,0,0,0,1|1,0,0]=2 136 B7R0.6 CN(C)CCC(=N)S PH015242 [0,0,0,0,0,1|2,1,0]=4 137 B7R0.6 CN(C)CCC(=O)O CDS000423 [0,0,0,0,0,1|2,0,0]=3 138 B7R0.6 CN(C)CCC(=O)O CDS013778 [0,0,0,0,0,1|2,0,0]=3 139 B7R0.6 CN(C)CCN(C)C S745758 [0,0,0,0,0,1|3,0,0]=4 140 B7R0.6 CS(=O)CCS(=O)C PH008108 [0,0,0,0,0,1|3,0,0]=4 141 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [0,0,0,0,0,1|2,0,0]=3 142 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,0]=3 144 B4R0.1 CC(C)NN CDS002505 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.1 CC(C)NN CDS002842 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|2,0,0]=4 147 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|1,0,0]=3 148 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|1,1,0]=4 149 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.1 O=C([O-])CO CDS000626 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.2 C=CCCN CDS021978 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.2 CCCC[NH3+] S342920 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.1 C(=O)CC(C)OC T278319 [1,1,0,0,0,0|0,0,0]=2 157 B6R0.1 C/C=C/[C@H](C)CC R289493 [1,1,0,0,0,0|0,0,1]=3 158 B6R0.1 C/C=C\C(C)CC R289485 [1,1,0,0,0,0|0,0,1]=3 159 B6R0.1 C=C(CO)CCO T293814 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.1 CC(CO)CCN CDS000171 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.1 CC/C=C(\C)/CC R289574 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.1 CC/C=C(\C)/CC R289582 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.1 CC/C=C(\C)/CO S888702 [1,1,0,0,0,0|0,0,2]=4 164 B6R0.1 CCC(=O)COC CDS024044 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.1 CCC(=O)OCS PH000959 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.1 CCC(C)CCN CBR00385 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.1 CCC(C)NC=O S620394 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.1 CCCC(C)NC PH018184 [1,1,0,0,0,0|0,0,1]=3 169 B6R0.1 CCCC(N)CC CBR01120 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.1 CCNC(=O)CBr CBR01984 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.1 CCNC(=O)CCl TMT00299 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.1 CCNC(C)CC CBR00870 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.1 CCOC(=O)NC PH010865 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.1 CCOC(=O)N[O-] S859273 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.1 CCSC(=O)CC CDS001498 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.1 CC[C@H](N)COC PH019017 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.1 CNC(C)CCO CBR02003 [1,1,0,0,0,0|0,0,2]=4 178 B6R0.1 CNCC(=O)NC CBR00235 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.1 CNCC(=O)OC PH006931 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.1 COCC(O)CCl S615455 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.1 COCC(O)CN CDS009718 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.3 C#CC(O)C(C)C CDS001233 [1,1,0,0,0,0|0,0,2]=4 185 B6R0.3 C=CC(C)C(C)C R289299 [1,1,0,0,0,0|0,0,1]=3 186 B6R0.3 C=CC(O)C(C)C S442062 [1,1,0,0,0,0|0,0,1]=3 187 B6R0.3 CC(CN)C(=O)O CDS014136 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.3 CC(CS)C(=O)O CDS000283 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.3 CCC(C)C(=O)N S799637 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.3 CCC(C)[N+](=O)[O-] S919179 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.3 CCC(N)C(=O)N S784044 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.3 CCC(O)C(=O)O CDS000492 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.3 CNC(C)C(=O)N CBR00065 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.3 CNC(C)C(C)C CBR00876 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.3 NCC(N)C(=O)O R278769 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.4 C#C/C=C/C(C)C T269360 [1,1,0,0,0,0|0,0,2]=4 199 B6R0.4 C=C(Br)CCCO T297658 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.4 C=CCCC(C)C R289442 [1,1,0,0,0,0|0,0,1]=3 201 B6R0.4 C=CCNC(=O)C EME00415 [1,1,0,0,0,0|0,0,2]=4 202 B6R0.4 C=CCNC(C)C CBR02371 [1,1,0,0,0,0|0,0,1]=3 203 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.4 CC(=O)OCCS S363049 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.4 CC(C)CN=C=S CDS001467 [1,1,0,0,0,0|0,1,1]=4 206 B6R0.4 CC(C)OCCN CDS000373 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 CCC#CC(=O)C CDS000006 [1,1,0,0,0,0|0,0,1]=3 209 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.4 CCCCC(=N)N PH017352 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.4 CCCCC(=S)N PH000512 [1,1,0,0,0,0|1,1,0]=4 212 B6R0.4 CCCNC(=N)N L254797 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|0,0,0]=2 214 B6R0.4 CCCSC(C)C S570702 [1,1,0,0,0,0|0,0,1]=3 215 B6R0.4 CCNCC(=O)N S877379 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.4 CCNCC(=O)N S986194 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|0,0,0]=2 218 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.4 COCCC(=N)N CBR01198 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.4 CSCCC(=O)Cl CDS000414 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.4 CSCCC(C)C S351520 [1,1,0,0,0,0|0,0,1]=3 222 B6R0.4 N#CCCC(=O)O CDS009069 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.4 NC(=O)CCCCl OTV000845 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.4 NC(=O)NCCCl CDS000493 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [1,1,0,0,0,0|0,0,2]=4 227 B6R0.5 C(=C\C(C)(C)C)\C S411922 [1,1,0,0,0,0|0,0,1]=3 228 B6R0.5 C(=C\C(C)(C)C)\C S437441 [1,1,0,0,0,0|0,0,1]=3 229 B6R0.5 C=CCC(C)(C)O S437506 [1,1,0,0,0,0|0,0,1]=3 230 B6R0.5 CC(C)(C)CC#N PH014763 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.5 CC(C)(C)CCCl S416630 [1,1,0,0,0,0|1,0,1]=4 232 B6R0.5 CC(C)(Cl)CCCl S434116 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.5 CC(C)(F)CCO PH018175 [1,1,0,0,0,0|0,0,2]=4 234 B6R0.5 CC(C)(O)CCCl CDS019086 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.5 CC(C)(O)CCN CDS019270 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.5 CCCS(=O)(=O)[S-] S47857 [1,1,0,0,0,0|2,0,0]=4 237 B6R0.5 CCNC(C)(C)C CDS000392 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.5 CNCC(C)(C)C CBR00855 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.5 CNCC(C)(C)C CDS011416 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.5 COCC(C)(C)N CBR00858 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.5 CS(=O)(=O)CCN CDS005167 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.5 O=CCC(F)(F)F CDS024323 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [0,1,0,0,1,0|0,0,0]=2 244 B6R0.7 CC(=O)C(C)(C)Cl S304212 [0,1,0,0,1,0|0,0,0]=2 245 B6R0.7 CC(=O)C(Cl)(Cl)Cl S439940 [0,1,0,0,1,0|2,0,0]=4 246 B6R0.7 CC(C)(C)C(=N)N S168351 [0,1,0,0,1,0|2,0,0]=4 247 B6R0.7 CC(C)(Cl)[N+](=O)[O-] S565962 [0,1,0,0,1,0|2,0,0]=4 248 B6R0.7 CC(C)(N)C(=O)N CBR00900 [0,1,0,0,1,0|1,0,0]=3 249 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [0,1,0,0,1,0|1,0,0]=3 250 B6R0.7 CC(C)C(C)(C)N CBR02430 [0,1,0,0,1,0|1,0,1]=4 251 B6R0.7 CC(Cl)(Cl)C(=O)[O-] R426326 [0,1,0,0,1,0|2,0,0]=4 252 B6R0.7 CC(N)C(C)(C)C CDS001121 [0,1,0,0,1,0|1,0,1]=4 253 B6R0.7 CC(O)C(C)(C)O S937371 [0,1,0,0,1,0|0,0,2]=4 254 B6R0.7 CN(C)S(=O)(=O)C S616672 [0,1,0,0,1,0|2,0,0]=4 255 B8R0.9 C=C(C)CNC(=O)CCl PH008781 [0,1,0,0,0,1|0,0,2]=4 256 B8R0.9 C=CC(=O)OCC(C)O S511951 [0,1,0,0,0,1|1,0,1]=4 257 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [0,1,0,0,0,1|1,0,1]=4 258 B8R0.9 CC(=O)OCC(O)CCl PH006987 [0,1,0,0,0,1|1,0,0]=3 259 B8R0.9 CC(=O)SCC(C)CCl S344397 [0,1,0,0,0,1|0,0,0]=2 260 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,1,0,0,0,1|0,0,0]=2 261 B8R0.9 CC(C)OCC(O)CCl S553190 [0,1,0,0,0,1|0,0,2]=4 262 B8R0.9 CCC(=O)COC(=O)C S362409 [0,1,0,0,0,1|1,0,1]=4 263 B8R0.9 CCC(O)CCC(C)C CDS000278 [0,1,0,0,0,1|0,0,2]=4 264 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,1,0,0,0,1|1,0,1]=4 265 B8R0.9 COC(=O)CNC(=O)C S785687 [0,1,0,0,0,1|1,0,1]=4 266 B8R0.23 C(Cl)(Cl)C(O)NC(=O)C PH009005 [0,1,0,0,0,1|2,0,0]=4 267 B8R0.23 C/C(=C\C(C)C)/C(=O)O CDS001260 [0,1,0,0,0,1|1,0,1]=4 268 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,1,0,0,0,1|0,0,0]=2 269 B8R0.23 CC(C)CC(N)C(=O)N S788902 [0,1,0,0,0,1|1,0,0]=3 270 B8R0.23 CC(C)CC(O)C(C)C S437425 [0,1,0,0,0,1|1,0,1]=4 271 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [0,1,0,0,0,1|1,0,0]=3 272 B8R0.23 CC(C)C[C@H](N)C(=O)N CDS003478 [0,1,0,0,0,1|1,0,0]=3 273 B8R0.23 CC(C)NC(C)C(=O)O PH010417 [0,1,0,0,0,1|1,0,0]=3 274 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [0,1,0,0,0,1|1,0,0]=3 275 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [0,1,0,0,0,1|1,0,0]=3 276 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [0,1,0,0,0,1|1,0,0]=3 277 B8R0.23 CC(CC(=O)O)N(C)C CBR00883 [0,1,0,0,0,1|2,0,0]=4 278 B8R0.23 CC(CN(C)C)C(=O)O CBR01551 [0,1,0,0,0,1|2,0,0]=4 279 B8R0.23 CC(O)CC(O)C(C)C PH010921 [0,1,0,0,0,1|0,0,2]=4 280 B8R0.23 CN(C)C(=O)CC(=O)O CDS022231 [0,1,0,0,0,1|2,0,0]=4 281 B8R0.29 C=C(Cl)CNC(C)(C)C PH010556 [0,1,0,0,0,1|1,0,1]=4 282 B8R0.29 CC(=O)CC[N+](C)(C)C S915017 [0,1,0,0,0,1|1,0,0]=3 283 B8R0.29 CC(=O)CNS(=O)(=O)C PH018857 [0,1,0,0,0,1|2,0,0]=4 284 B8R0.29 CC(C)(C)CCC(=O)O CDS009242 [0,1,0,0,0,1|1,0,0]=3 285 B8R0.29 CC(C)(C)OCC(=O)O CDS002729 [0,1,0,0,0,1|1,0,0]=3 286 B8R0.29 CC(C)(N)CCC(=O)O T160458 [0,1,0,0,0,1|1,0,0]=3 287 B8R0.29 CC(C)(O)C#CC(=O)O CBR01106 [0,1,0,0,0,1|1,0,1]=4 288 B8R0.29 CC(C)CCS(=O)(=O)Cl CDS011771 [0,1,0,0,0,1|2,0,0]=4 289 B8R0.29 CC(C)CCS(=O)(=O)O PH016300 [0,1,0,0,0,1|2,0,0]=4 290 B8R0.29 CC(C)NCC(C)(C)O S509078 [0,1,0,0,0,1|0,0,2]=4 291 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,2,0,0,0,0|1,0,1]=4 292 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [0,2,0,0,0,0|1,0,0]=3 293 B8R0.2 CCC(C)C(C)C(C)O S416983 [0,2,0,0,0,0|0,0,2]=4 294 B8R0.2 CCC(C)C(O)C(C)C S408050 [0,2,0,0,0,0|1,0,1]=4 295 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [0,2,0,0,0,0|1,0,0]=3 296 B8R0.2 CC[C@@H](C)[C@H](O)[C@@H](C)O T259209 [0,2,0,0,0,0|0,0,2]=4 297 B8R0.2 COC(=O)C(=O)C(C)Br SYX00008 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.2 COC(=O)C(N)C(C)O S765430 [0,2,0,0,0,0|1,0,0]=3 299 B8R0.2 COC(=O)C(O)C(C)C CDS021214 [0,2,0,0,0,0|0,0,0]=2 300 B8R0.2 O=C(O)C(Br)C(Br)CBr S881333 [0,2,0,0,0,0|2,0,0]=4 301 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.5 C=C(C)CC(O)/C=C/C S504947 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.5 CC(C)OC(=O)CC#N S615137 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,2,0,0,0,0|1,0,1]=4 305 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.16 CC(=O)OC(CCl)CCl PH007003 [0,2,0,0,0,0|1,0,0]=3 309 B8R0.16 CCN(CC)CC(=O)O PH011958 [0,2,0,0,0,0|2,0,0]=4 310 B8R0.19 CCC(C)CC(O)CC S430854 [0,2,0,0,0,0|0,0,2]=4 311 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,2,0,0,0,0|1,0,0]=3 312 B8R0.19 CCC(C)NC(=O)NC S724750 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.19 CC[C@H](C)C[C@H](C)CO T297186 [0,2,0,0,0,0|0,0,2]=4 314 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,2,0,0,0,0|0,0,2]=4 315 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,2,0,0,0,0|0,0,2]=4 316 B8R0.19 C[C@H](CO)C[C@@H](C)CO T297240 [0,2,0,0,0,0|0,0,2]=4 317 B8R0.24 C=C(CO)CC(C)(C)C S448338 [0,2,0,0,0,0|1,0,0]=3 318 B8R0.24 C=C(CO)C[Si](C)(C)C T296767 [0,2,0,0,0,0|1,1,0]=4 319 B8R0.24 C=CC(=O)NC(C)(C)C S601497 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.24 C=CC(C)CC(C)(C)C S431591 [0,2,0,0,0,0|1,0,1]=4 321 B8R0.24 CC(C)(C)NC(=O)CI PH000979 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.24 CC(C)(C)OC(=O)CN T243442 [0,2,0,0,0,0|1,0,0]=3 323 B8R0.24 CC(CS)CC(C)(C)C S663433 [0,2,0,0,0,0|0,1,1]=4 324 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.34 C=C(C)CC(C)(O)CC S433195 [0,2,0,0,0,0|1,0,0]=3 326 B8R0.34 C=CC(C)(O)CC(C)C PH007072 [0,2,0,0,0,0|0,0,2]=4 327 B8R0.34 CC(=O)NC(C)(C)C#N PH001493 [0,2,0,0,0,0|1,0,0]=3 328 B8R0.34 CC(C)CC(C)(C)CO S444049 [0,2,0,0,0,0|0,0,2]=4 329 B8R0.34 CCC(C)(C)OC(=O)C S851981 [0,2,0,0,0,0|1,0,0]=3 330 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.34 CCC(C)(O)CC(C)C S411906 [0,2,0,0,0,0|0,0,2]=4 332 B8R0.34 CN(C)CC(C)(C)CO PH000106 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.34 CNC(C)(C)CC(C)O PH007127 [0,2,0,0,0,0|0,0,2]=4 334 B8R0.34 COC(C)(C)CC(=O)C CDS001275 [0,2,0,0,0,0|0,0,0]=2 335 B8R0.27 C=C(C(=O)C)[Si](C)(C)C T227439 [0,2,0,0,0,0|0,1,1]=4 336 B8R0.27 CC(C)(C)C(=O)C(=O)O CDS001578 [0,2,0,0,0,0|1,0,1]=4 337 B8R0.27 CC(C)(S)C(N)C(=O)O S787019 [0,2,0,0,0,0|1,0,0]=3 338 B8R0.27 CC(C)C(O)C(C)(C)C S411973 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.33 CC(C)(C)CS(=O)(=O)Cl CDS023332 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.18 CC(=O)/C(=N\O)/C(C)C PH009501 [0,2,0,0,0,0|0,0,1]=3 341 B8R0.18 CCC(C(=O)C)C(C)C S373559 [0,2,0,0,0,0|0,0,0]=2 342 B8R0.37 C=C(C)C(C)(O)C(C)C S303364 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.37 CC(Br)C(C)(Br)C(=O)O T305987 [0,2,0,0,0,0|2,0,0]=4 344 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,1,0,0|1,0,0]=3 345 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,1,0,0|1,0,0]=3 347 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,1,0,0|0,0,2]=4 348 B6R1.2 O=C1NCCS1 CDS011623 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.2 O[C@H]1CCNC1 CDS003495 [1,0,0,1,0,0|2,0,0]=4 350 B6R1.3 CNCC1CC1 CBR00064 [1,0,0,1,0,0|1,0,0]=3 351 B6R1.3 NCCC1CC1 CDS004252 [1,0,0,1,0,0|1,0,1]=4 352 B6R1.5 CN1CC(C1)N CDS007511 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.5 O=C1CC(C1)Br SYX00267 [1,0,0,1,0,0|1,0,0]=3 354 B6R1.8 CCC1CC1N CDS012189 [1,0,0,1,0,0|1,0,1]=4 355 B6R1.9 CC1CC1(C)C R289639 [1,0,0,1,0,0|0,0,1]=3 356 B6R1.10 O=S1(=O)CCC1 S620734 [1,0,0,1,0,0|2,0,0]=4 357 B6R1.11 CC(C)C1CC1 R289612 [1,0,0,1,0,0|0,0,1]=3 358 B6R1.11 CC(N)C1CC1 CDS018130 [1,0,0,1,0,0|1,0,1]=4 359 B6R1.11 C[C@@H](N)C1CC1 CDS000831 [1,0,0,1,0,0|1,0,1]=4 360 B6R1.11 NC(=O)C1CC1 S455989 [1,0,0,1,0,0|1,0,0]=3 361 B6R1.11 NC(=S)C1CC1 PH011536 [1,0,0,1,0,0|1,1,0]=4 362 B6R1.4 CC1CCC1=O CDS021461 [0,0,0,1,1,0|0,0,0]=2 363 B6R1.4 O=C1CCC1=O S869309 [0,0,0,1,1,0|1,0,1]=4 364 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,0,0,1,0,1|2,0,0]=4 365 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,0,0,1,0,1|1,0,1]=4 366 B8R1.3 CC1CCC(CC1)Br CDS001451 [0,0,0,1,0,1|1,0,1]=4 367 B8R1.3 CC1CCC(CC1)N T138053 [0,0,0,1,0,1|1,0,1]=4 368 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [0,0,0,1,0,1|1,0,1]=4 369 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,0,0,1,0,1|1,0,0]=3 370 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,0,0,1,0,1|1,0,0]=3 371 B8R1.3 O=C1CCC(CC1)O T292184 [0,0,0,1,0,1|1,0,0]=3 372 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,0,0,1,0,1|1,0,0]=3 373 B8R1.23 O=C(O)C1CC(C1)F CDS023094 [0,0,0,1,0,1|2,0,0]=4 374 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [0,0,0,1,0,1|2,0,0]=4 375 B8R1.35 CC(C)NCC1CC1 CBR01259 [0,0,0,1,0,1|1,0,1]=4 376 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [0,0,0,1,0,1|1,0,1]=4 377 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,0,0,1,0,1|1,0,0]=3 378 B8R1.51 CC1(CNC(=O)O1)C T283703 [0,0,0,1,0,1|1,0,0]=3 379 B8R1.51 CC1(CNC(=S)N1)C T149195 [0,0,0,1,0,1|1,1,0]=4 380 B8R1.51 CC1(COC(=O)N1)C CBR01583 [0,0,0,1,0,1|1,0,0]=3 381 B8R1.51 CC1CCC(N1)(C)C CBR01640 [0,0,0,1,0,1|1,0,1]=4 382 B8R1.51 CC1CNC(C1)(C)C CBR01529 [0,0,0,1,0,1|1,0,1]=4 383 B8R1.51 CC1COC(O1)(C)C T332623 [0,0,0,1,0,1|0,0,2]=4 384 B8R1.51 CC1NC(CO1)(C)C PH016117 [0,0,0,1,0,1|1,0,1]=4 385 B8R1.69 CC1(CCS1(=O)=O)C T176273 [0,0,0,1,0,1|2,0,0]=4 386 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,0,0,1,0,1|1,0,0]=3 387 B8R1.1 CCC1CCC(C1)C R289752 [0,1,0,1,0,0|1,0,1]=4 388 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.1 CN1CCC(C1)CBr CBR01706 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.1 CN1CCC(C1)CCl CBR01971 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.1 CNC1CCN(C1)C CDS000172 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.1 O=C1OCC(O1)CCl S416657 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,1,0,0|0,0,1]=3 398 B8R1.4 CC1CC(CCN1)O CDS008819 [0,1,0,1,0,0|0,0,2]=4 399 B8R1.4 CC1CCCC(C1)N CDS007614 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.4 CC1CCCC(C1)S CDS023316 [0,1,0,1,0,0|0,1,1]=4 401 B8R1.4 CC1CCOS(=O)O1 S359173 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.34 NC(=O)OC1CSC1 T163708 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.34 O=C(O)CC1CNC1 PHB00031 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.40 CO/C(=N/C1CC1)/C T199370 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.42 CC(C)CC1(CC1)N CBR00866 [0,1,0,1,0,0|1,0,1]=4 411 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.62 C=C1CC(C1)(C)C#N T178268 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.83 COC(=O)C1CC1C EME00059 [0,1,0,1,0,0|0,0,0]=2 414 B8R1.56 C[N+](C)(C)CC1CC1 S359912 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.56 O=S(=O)(Cl)CC1CC1 CDS020474 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.50 CC1CCC(C1O)O S352810 [0,1,0,1,0,0|0,0,2]=4 417 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,1,0,1,0,0|0,0,2]=4 418 B8R2.34 [C@H]12CC[C@H](C1)NC2 CDS019247 [0,0,0,2,0,0|1,0,1]=4 419 B8R2.38 [C@@H]12CCC([C@@H]1C2)O T227315 [0,0,0,2,0,0|0,0,2]=4 420 B8R0.28 C=C(C)CCOC(=O)C S881171 [0,0,0,0,0,2|0,0,2]=4 421 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [0,0,0,0,0,2|2,0,0]=4 422 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,0,0,0,0,2|0,0,2]=4 423 B8R0.28 CC(=O)CCCC(C)C CDS000306 [0,0,0,0,0,2|0,0,0]=2 424 B8R0.28 CC(=O)CCCN(C)C PH014778 [0,0,0,0,0,2|1,0,0]=3 425 B8R0.28 CC(=O)CCOC(=O)C PH003361 [0,0,0,0,0,2|1,0,1]=4 426 B8R0.28 CC(=O)COCC(=O)C S38912 [0,0,0,0,0,2|1,0,1]=4 427 B8R0.28 CC(=O)CSCC(C)C EME00074 [0,0,0,0,0,2|0,0,0]=2 428 B8R0.28 CC(=O)NCNC(=O)C PH003004 [0,0,0,0,0,2|1,0,1]=4 429 B8R0.28 CC(=O)OCCN(C)C PH011981 [0,0,0,0,0,2|1,0,0]=3 430 B8R0.28 CC(C)CCCC(=O)O CDS003381 [0,0,0,0,0,2|1,0,0]=3 431 B8R0.28 CC(C)CNCC(C)C S835676 [0,0,0,0,0,2|1,0,1]=4 432 B8R0.28 CC(C)COCC(=O)O CDS014100 [0,0,0,0,0,2|1,0,0]=3 433 B8R0.28 CC(C)COCC(C)O CDS018532 [0,0,0,0,0,2|0,0,2]=4 434 B8R0.28 CC(C)NCCC(=O)N CDS021106 [0,0,0,0,0,2|1,0,0]=3 435 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [0,0,0,0,0,2|2,0,0]=4