0 B6R0.2 C=C(C)CC(C)C R289256 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 CC(=CC(C)C)C R289302 [0,0,0,0,0,0|3,0,1]=4 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|3,0,0]=3 4 B6R0.2 CC(=O)NC(C)C S378992 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.2 CC(=O)SC(=O)C R425621 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.2 CC(=S)CC(=O)N S704164 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(C)CC(=O)[O-] S693154 [0,0,0,0,0,0|2,0,0]=2 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|3,0,0]=3 10 B6R0.2 CN(C)CC(=O)Cl CDS013657 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.2 N=C(N)CC(=N)N S262242 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.2 N=C(N)NC(=O)N S414786 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.2 N=C(N)NC(=O)N S414980 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.2 NC(=O)CC(=O)O S937436 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 C(=O)CC(C)O CDS019977 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 C(=O)NC(C)C S378380 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 C=C(C)CSC S866024 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)CCCl S564524 [1,0,0,0,0,0|2,0,1]=4 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 CN(C)CCBr PH011840 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CN(C)CCO S573124 [1,0,0,0,0,0|0,0,2]=3 26 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 CNCC(C)C CDS000422 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 COCC(=N)N CBR01671 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 COC[C@@H](C)N CDS023796 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 COC[C@H](C)N CDS001149 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CSCC(=N)N OTV000870 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 N=C(N)CCO PH014361 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.2 C=C(CO)CC(C)C T296279 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 CC(C)CC(=O)C#N R260371 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.2 CC(C)OC(=O)CS S593931 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.2 CC(C)OC(=O)NF PH009513 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.2 CC(CCl)CN(C)C R276561 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.2 CC(CN)CN(C)C CBR00154 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.2 CN(C)CC(=O)NN CDS000357 [0,1,0,0,0,0|0,0,0]=1 49 B7R0.2 CN(C)CC(O)CN CBR02389 [0,1,0,0,0,0|0,0,2]=3 50 B7R0.2 CNC(=O)CC(=N)N CBR01542 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.2 CNC(C)CC(=O)N CBR01535 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.2 COC(=O)CC(C)Cl S559458 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.2 COC(=O)NC(=O)N S876178 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.2 COC(=O)NC(C)C PH006940 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.2 NC(=O)C[C@H](O)CO PH015444 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.2 NC(=O)NC(=O)CCl PH011412 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.9 CC(=O)CC(C)(C)S CDS009189 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.9 CC(C)(C)NC(=S)N PH011066 [0,1,0,0,0,0|2,1,0]=4 62 B7R0.9 CC(C)CC(C)(C)N CBR01536 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.9 CC(C)CS(=O)(=O)[S-] S64026 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.9 CN(C)CC(C)(C)N CBR01568 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.9 CN(C)NS(=O)(=O)C PH009301 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.9 CS(=O)(=O)CC(=O)N S614475 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.9 CS(=O)(=O)CC(=O)O CDS014245 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.16 CC(N)C(=O)N(C)C CBR01336 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.16 CC(O)C(N)C(=O)N S781339 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [0,1,0,0,0,0|1,0,0]=2 75 B7R1.2 CC1CNC(=S)S1 S920002 [0,0,0,1,0,0|2,1,0]=4 76 B7R1.2 CC1COC(=O)C1 PH007953 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 CC1COC(=O)N1 CBR01603 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 CN1C=NC(=N1)N CBR00751 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 O=C1CC(CO1)O S672874 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.12 CC1CC1C(=O)N EME00444 [0,0,0,1,0,0|1,0,0]=2 85 B7R1.20 CC(=O)CC1CC1 PH014420 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.20 O=C(O)CC1CC1 CDS000888 [0,0,0,1,0,0|2,0,0]=3 87 B5R0.5 C=C(C)C(=O)C CDS000556 [0,0,0,0,1,0|2,0,1]=4 88 B5R0.5 C=C(C)C(=O)[O-] S457930 [0,0,0,0,1,0|2,0,1]=4 89 B5R0.5 C=C(C)C(=O)[O-] S460389 [0,0,0,0,1,0|2,0,1]=4 90 B5R0.5 C=C(C)C(=O)[O-] S461806 [0,0,0,0,1,0|2,0,1]=4 91 B5R0.5 CC(=O)C(C)F CDS002853 [0,0,0,0,1,0|3,0,0]=4 92 B5R0.5 CC(=S)N(C)C S622877 [0,0,0,0,1,0|1,1,0]=3 93 B5R0.5 CC(C)C(=N)N CDS015019 [0,0,0,0,1,0|2,0,0]=3 94 B5R0.5 CC(C)C(=S)N PH006913 [0,0,0,0,1,0|1,1,0]=3 95 B5R0.5 CC(O)C(=O)[O-] S933260 [0,0,0,0,1,0|3,0,0]=4 96 B7R0.6 C=C(C)COC(=O)N S352055 [0,0,0,0,0,1|1,0,1]=3 97 B7R0.6 C=C(C)CSC(=N)N PH012545 [0,0,0,0,0,1|2,0,1]=4 98 B7R0.6 CC(=NNC(=O)N)C S449784 [0,0,0,0,0,1|2,0,0]=3 99 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [0,0,0,0,0,1|2,0,1]=4 100 B7R0.6 CC(C)CCC(=N)N CBR00806 [0,0,0,0,0,1|2,0,0]=3 101 B7R0.6 CC(C)CCC(=N)N PH014985 [0,0,0,0,0,1|2,0,0]=3 102 B7R0.6 CC(C)CCC(=O)Cl PH015411 [0,0,0,0,0,1|2,0,0]=3 103 B7R0.6 CC(C)CC[C@@H](C)N PH017936 [0,0,0,0,0,1|2,0,1]=4 104 B7R0.6 CC(C)CC[C@@H](C)N S408158 [0,0,0,0,0,1|2,0,1]=4 105 B7R0.6 CC(C)COC(=O)N S362840 [0,0,0,0,0,1|1,0,0]=2 106 B7R0.6 CC(C)SCC(=O)O OTV000315 [0,0,0,0,0,1|2,0,0]=3 107 B7R0.6 CN(C)CCC(=N)S PH015242 [0,0,0,0,0,1|0,1,1]=3 108 B7R0.6 CN(C)CCC(=O)O CDS000423 [0,0,0,0,0,1|1,0,0]=2 109 B7R0.6 CN(C)CCC(=O)O CDS013778 [0,0,0,0,0,1|1,0,0]=2 110 B7R0.6 CN(C)CCN(C)C S745758 [0,0,0,0,0,1|3,0,0]=4 111 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [0,0,0,0,0,1|2,0,0]=3 112 B7R0.6 NC(=O)NCC(=O)O L100056 [0,0,0,0,0,1|3,0,0]=4 113 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 CC(C)NN CDS002505 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 CC(C)NN CDS002842 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|0,1,0]=3 120 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|1,0,0]=3 121 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 O=C([O-])CO CDS000626 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.2 CNCC#N CDS000167 [2,0,0,0,0,0|0,0,2]=4 125 B4R0.2 CNCC#N S570885 [2,0,0,0,0,0|0,0,2]=4 126 B6R0.1 C(=O)CC(C)OC T278319 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.1 CC(CO)CCN CDS000171 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.1 CCC(=O)COC CDS024044 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.1 CCC(C)CCN CBR00385 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.1 CCC(C)NC=O S620394 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.1 CCOC(=O)NC PH010865 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.1 CCOC(=O)N[O-] S859273 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.1 CNCC(=O)NC CBR00235 [1,1,0,0,0,0|0,0,0]=2 134 B6R0.1 CNCC(=O)OC PH006931 [1,1,0,0,0,0|1,0,0]=3 135 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.3 C=CC(C)C(C)C R289299 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.3 C=CC(O)C(C)C S442062 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.3 CCC(C)C(=O)N S799637 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.3 CCC(N)C(=O)N S784044 [1,1,0,0,0,0|1,0,0]=3 141 B6R0.3 CCC(O)C(=O)O CDS000492 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.3 CNC(C)C(=O)N CBR00065 [1,1,0,0,0,0|0,0,0]=2 144 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.3 C[C@@H](CO)N(C)C T260711 [1,1,0,0,0,0|0,0,2]=4 146 B6R0.3 N#CC(N)C(=O)N CDS004651 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.4 C=CCCC(C)C R289442 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.4 C=CCNC(C)C CBR02371 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.4 CC(C)OCCN CDS000373 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.4 CCCCC(=N)N PH017352 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.4 CCCCC(=S)N PH000512 [1,1,0,0,0,0|1,1,0]=4 152 B6R0.4 CCCNC(=N)N L254797 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.4 CCNCC(=O)N S877379 [1,1,0,0,0,0|0,0,0]=2 155 B6R0.4 CCNCC(=O)N S986194 [1,1,0,0,0,0|0,0,0]=2 156 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.4 COCCC(=N)N CBR01198 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.4 CSCCC(=O)Cl CDS000414 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.4 NC(=O)CCCCl OTV000845 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.4 NC(=O)NCCCl CDS000493 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.5 C=CCC(C)(C)O S437506 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.5 CC(C)(O)CCN CDS019270 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [0,1,0,0,1,0|2,0,0]=4 166 B6R0.7 CC(=O)C(C)(C)Cl S304212 [0,1,0,0,1,0|2,0,0]=4 167 B6R0.7 CC(C)(C)C(=N)N S168351 [0,1,0,0,1,0|2,0,0]=4 168 B6R0.7 CC(C)(N)C(=O)N CBR00900 [0,1,0,0,1,0|1,0,0]=3 169 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [0,1,0,0,1,0|2,0,0]=4 170 B6R0.7 CN(C)S(=O)(=O)C S616672 [0,1,0,0,1,0|2,0,0]=4 171 B8R0.9 CC(=O)SCC(C)CCl S344397 [0,1,0,0,0,1|2,0,0]=4 172 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,1,0,0,0,1|2,0,0]=4 173 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,1,0,0,0,1|2,0,0]=4 174 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,1,0,0,0,1|2,0,0]=4 175 B8R0.23 CC(=O)NC(C)C(=O)N S784060 [0,1,0,0,0,1|2,0,0]=4 176 B8R0.23 CC(C)CC(N)C(=O)N S788902 [0,1,0,0,0,1|1,0,0]=3 177 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [0,1,0,0,0,1|2,0,0]=4 178 B8R0.23 CC(C)C[C@H](N)C(=O)N CDS003478 [0,1,0,0,0,1|1,0,0]=3 179 B8R0.23 CC(C)NC(C)C(=O)O PH010417 [0,1,0,0,0,1|2,0,0]=4 180 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [0,1,0,0,0,1|2,0,0]=4 181 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [0,1,0,0,0,1|2,0,0]=4 182 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [0,1,0,0,0,1|2,0,0]=4 183 B8R0.23 CC(CC(=O)O)N(C)C CBR00883 [0,1,0,0,0,1|1,0,0]=3 184 B8R0.23 CC(CN(C)C)C(=O)O CBR01551 [0,1,0,0,0,1|1,0,0]=3 185 B8R0.23 CN(C)C(=O)CC(=O)O CDS022231 [0,1,0,0,0,1|1,0,0]=3 186 B8R0.29 CC(=O)CC[N+](C)(C)C S915017 [0,1,0,0,0,1|1,0,1]=4 187 B8R0.29 CC(C)(C)CCC(=O)O CDS009242 [0,1,0,0,0,1|2,0,0]=4 188 B8R0.29 CC(C)(C)OCC(=O)O CDS002729 [0,1,0,0,0,1|2,0,0]=4 189 B8R0.29 CC(C)(N)CCC(=O)O T160458 [0,1,0,0,0,1|2,0,0]=4 190 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [0,2,0,0,0,0|2,0,0]=4 192 B8R0.2 COC(=O)C(O)C(C)C CDS021214 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.16 CCN(C=C(N)N)CC PH018705 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.16 CCN(CC)CC(=O)O PH011958 [0,2,0,0,0,0|1,0,0]=3 195 B8R0.19 CCC(C)NC(=O)NC S724750 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.24 CC(C)(C)OC(=O)CN T243442 [0,2,0,0,0,0|2,0,0]=4 197 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.34 COC(C)(C)CC(=O)C CDS001275 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.27 CC(C)(S)C(N)C(=O)O S787019 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.18 CCC(C(=O)C)C(C)C S373559 [0,2,0,0,0,0|2,0,0]=4 202 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,1,0,0|1,0,1]=4 203 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.2 O=C1NCCS1 CDS011623 [1,0,0,1,0,0|2,0,0]=4 206 B6R1.3 NCCC1CC1 CDS004252 [1,0,0,1,0,0|1,0,1]=4 207 B6R1.5 CN1CC(C1)N CDS007511 [1,0,0,1,0,0|0,0,1]=3 208 B6R1.5 O=C1CC(C1)Br SYX00267 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.11 NC(=O)C1CC1 S455989 [1,0,0,1,0,0|1,0,0]=3 210 B6R1.11 NC(=S)C1CC1 PH011536 [1,0,0,1,0,0|1,1,0]=4 211 B6R1.4 CC1CCC1=O CDS021461 [0,0,0,1,1,0|2,0,0]=4 212 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,0,0,1,0,1|2,0,0]=4 213 B8R1.3 CN1CCC(CC1)N CDS000065 [0,0,0,1,0,1|1,0,1]=4 214 B8R1.3 N1CN(CNC1=S)C S513881 [0,0,0,1,0,1|0,1,0]=3 215 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,0,0,1,0,1|2,0,0]=4 216 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,0,0,1,0,1|2,0,0]=4 217 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,0,0,1,0,1|2,0,0]=4 218 B8R1.51 CC1(CNC(=O)O1)C T283703 [0,0,0,1,0,1|2,0,0]=4 219 B8R1.51 CC1(CNC(=S)N1)C T149195 [0,0,0,1,0,1|1,1,0]=4 220 B8R1.51 CC1(COC(=O)N1)C CBR01583 [0,0,0,1,0,1|1,0,0]=3 221 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,0,0,1,0,1|2,0,0]=4 222 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.1 CCN1CCC(C1)N CBR01844 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.1 CN1CCC(C1)NN PH019450 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.1 CNC1CCN(C1)C CDS000172 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.4 CN1CCCC(C1)N CDS007772 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.34 NC(=O)OC1CSC1 T163708 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.34 O=C(O)CC1CNC1 PHB00031 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.83 COC(=O)C1CC1C EME00059 [0,1,0,1,0,0|2,0,0]=4 237 B8R0.28 CC(=O)CCCC(=O)N PH008391 [0,0,0,0,0,2|2,0,0]=4 238 B8R0.28 CC(=O)CCCC(C)C CDS000306 [0,0,0,0,0,2|2,0,0]=4 239 B8R0.28 CC(=O)CCCN(C)C PH014778 [0,0,0,0,0,2|1,0,0]=3 240 B8R0.28 CC(=O)CSCC(C)C EME00074 [0,0,0,0,0,2|2,0,0]=4 241 B8R0.28 CC(=O)OCCN(C)C PH011981 [0,0,0,0,0,2|1,0,0]=3 242 B8R0.28 CC(C)CCCC(=O)O CDS003381 [0,0,0,0,0,2|2,0,0]=4 243 B8R0.28 CC(C)COCC(=O)O CDS014100 [0,0,0,0,0,2|2,0,0]=4 244 B8R0.28 CC(C)NCCC(=O)N CDS021106 [0,0,0,0,0,2|1,0,0]=3 245 B8R0.28 CN(C)CCSC(=N)N CDS025262 [0,0,0,0,0,2|1,0,0]=3