0 B8R1.50 C1CC(=O)N(C1=O)Br TS08620 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.50 C1CC(=O)N(C1=O)Cl TS08631 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.50 C1CC(=O)N(C1=O)I TS56402 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.50 C1CC(=O)N(C1=O)O TS39608 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.50 C1CN(C(=O)C1N)O TS04570 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.50 C1CN(C(=O)[C@@H]1N)O TS32200 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.50 C1CN(C(=O)[C@H]1N)O TS32193 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O TS04694 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.50 CC1=C(C(=O)CC1)Br TS13616 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.50 CC1C(=O)CCC1=O TS04283 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.50 CC1CCC(=C1C)C TS31847 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.50 CC1CCC(=O)N1C TS04391 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.50 CC1CCC(C1O)O TS04585 [0,0,0,0,0,0|0,0,4]=4 13 B8R1.50 CN1C(=O)CCC1=O TS04372 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.50 CN1C(CCC1=O)O TS04533 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.50 CN1CCN(C1=O)C TS32082 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.50 CN1CC[N+](=C1Cl)C TS55189 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.50 C[C@H]1[C@@H]([C@@H](CC1)C)C TS04338 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.2 C1C(=O)C=C(N1)O TS31463 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.2 C1C(CNC1=O)N TS87465 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.2 C1C(COC1=O)O TS31581 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 C1C(OC(=O)O1)F TS31724 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 C1CC(=O)CC1=O TS46791 [1,0,0,0,0,0|1,0,2]=4 24 B7R1.2 C1CC(=O)NC1=O TS31467 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.2 C1CC(=O)OC1=O TS31489 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.2 C1[C@@H](COC1=O)N TS37130 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.2 C1[C@@H](COC1=O)O TS33101 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.2 C1[C@H](CNC1=O)O TS01973 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.2 C1[C@H](CNC1=O)S TS04686 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.2 C1[C@H](COC1=O)O TS46585 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.2 C=C1CCC(=O)O1 TS03758 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.2 CC1=CC(=O)CC1 TS60019 [1,0,0,0,0,0|0,0,1]=2 35 B7R1.2 CC1=CC(=O)OC1 TS03763 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.2 CC1=CCC(=O)O1 TS03764 [1,0,0,0,0,0|1,0,2]=4 37 B7R1.2 CC1CCC(N1)C TS94712 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.2 CC1CCC(O1)C TS47281 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.2 CC1CNC(=S)N1 TS04617 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.2 CC1COC(=O)O1 TS08062 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.2 CC1COC(=O)O1 TS93060 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.2 C[C@@H]1CC[C@@H](C1)C TS03800 [1,0,0,0,0,0|1,0,2]=4 44 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.2 C[C@H]1CC[C@@H](C1)C TS31449 [1,0,0,0,0,0|1,0,2]=4 46 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.4 C1C(C(=O)NO1)N TS03929 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.4 C1CC(=C(C1)Br)Br TS52252 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [1,0,0,0,0,0|1,0,1]=3 51 B7R1.4 C1CC(C(=O)C1)Br TS55161 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [1,0,0,0,0,0|1,0,1]=3 53 B7R1.4 C1CNC(=O)C1N TS94857 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.4 C1CNC(=O)C1O TS02803 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.4 C1COC(=O)C1Br TS65029 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.4 C1COC(=O)C1O TS70622 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.4 C1COC(=O)N1N TS03931 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.4 C1COC(=O)N1N TS18967 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.4 C1COC(=O)[C@H]1N TS37131 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.4 C1CSC(=O)C1N TS41321 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.4 C1[C@@H](C(=O)NO1)N TS31587 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.4 C1[C@H](C(=O)NO1)N TS01419 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.4 C=C1CCOC1=O TS46473 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.4 CC1=C(CCC1)C TS03727 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.4 CC1=C(CCO1)S TS04610 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.4 CC1=C(CCO1)S TS11013 [1,0,0,0,0,0|2,1,0]=4 70 B7R1.4 CC1=CCCC1=O TS31367 [1,0,0,0,0,0|1,0,1]=3 71 B7R1.4 CC1=CCOC1=O TS03756 [1,0,0,0,0,0|1,0,2]=4 72 B7R1.4 CC1=[N+](CCS1)C TS26975 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,0,0,0|1,0,1]=3 74 B7R1.4 CC1C(=O)CCS1 TS04612 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,0,0,0|1,0,0]=2 76 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.4 CN1CCCC1=O TS46986 [1,0,0,0,0,0|1,0,1]=3 79 B7R1.4 CN1CCNC1=S TS04614 [1,0,0,0,0,0|2,1,0]=4 80 B7R1.4 CN1CCSC1=S TS36785 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [1,0,0,0,0,0|1,0,2]=4 82 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [1,0,0,0,0,0|1,0,2]=4 83 B7R1.4 Cn1c(=O)ccs1 TS41073 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.27 CCC1=C(CNC1=O)C TS16736 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.27 CCC1C(CNC1=O)C TS36242 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,1,0,0,0,0|1,0,2]=4 87 B9R1.37 CC1C(=O)C(=C(O1)C)O TS36276 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.37 CC1C(=O)CC(=O)C1=O TS05133 [0,1,0,0,0,0|0,0,1]=2 89 B9R1.132 CCC1=C(C(=O)CC1)O TS05152 [0,1,0,0,0,0|0,0,2]=3 90 B9R1.138 CC1(COC(=O)C1=O)C TS36274 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.138 CC1(COC(=O)C1O)C TS36471 [0,1,0,0,0,0|1,0,2]=4 92 B9R1.138 CC1(COC(=O)[C@@H]1O)C TS05534 [0,1,0,0,0,0|1,0,2]=4 93 B9R1.138 CC1(COC(=O)[C@H]1O)C TS46639 [0,1,0,0,0,0|1,0,2]=4 94 B9R1.138 CC1CCC(C1=O)(C)C TS05175 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.3 C(CC(=O)NN)CO TS32340 [0,0,1,0,0,0|3,0,0]=4 96 B7R0.3 C=CC(=O)NCCN TS94605 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.3 C=CC(=O)OCCBr TS47659 [0,0,1,0,0,0|3,0,0]=4 98 B7R0.3 C=CC(=O)OCCCl TS05938 [0,0,1,0,0,0|3,0,0]=4 99 B7R0.3 C=CC(=O)OCCO TS56178 [0,0,1,0,0,0|3,0,0]=4 100 B7R0.3 CC=CCC(C)C=C TS31844 [0,0,1,0,0,0|2,0,1]=4 101 B7R0.3 CCCCC(=C)CC TS04366 [0,0,1,0,0,0|2,0,1]=4 102 B7R0.3 CCCCC(=CC)C TS04336 [0,0,1,0,0,0|2,0,0]=3 103 B7R0.3 CCCCC(=NO)C TS04540 [0,0,1,0,0,0|2,0,1]=4 104 B7R0.3 CCCCC(=O)CC TS04462 [0,0,1,0,0,0|1,0,1]=3 105 B7R0.3 CCCCC(=O)NC TS32169 [0,0,1,0,0,0|2,0,0]=3 106 B7R0.3 CCCCC(=O)NN TS04606 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.3 CCCCC(=O)OC TS32226 [0,0,1,0,0,0|2,0,0]=3 108 B7R0.3 CCCCC(C=C)O TS04474 [0,0,1,0,0,0|1,0,2]=4 109 B7R0.3 CCCCN(C)N=O TS04602 [0,0,1,0,0,0|3,0,0]=4 110 B7R0.3 CCCOC(=O)C=C TS04429 [0,0,1,0,0,0|2,0,0]=3 111 B7R0.3 CCCOC(=O)CCl TS06137 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.3 CCCOC(=O)CN TS41315 [0,0,1,0,0,0|2,0,1]=4 113 B7R0.3 CCCOC(=O)OC TS32321 [0,0,1,0,0,0|3,0,0]=4 114 B7R0.3 CCCSC(=O)CC TS05773 [0,0,1,0,0,0|2,0,1]=4 115 B7R0.3 CCOC=C(C)C=O TS04427 [0,0,1,0,0,0|2,0,1]=4 116 B7R0.3 CN(CCC=O)N=O TS32197 [0,0,1,0,0,0|2,0,0]=3 117 B7R0.3 COC(=O)CCCBr TS09599 [0,0,1,0,0,0|3,0,0]=4 118 B7R0.3 COC(=O)CCCCl TS06131 [0,0,1,0,0,0|3,0,0]=4 119 B7R0.3 COC(=O)CCCI TS52575 [0,0,1,0,0,0|3,0,0]=4 120 B7R0.3 COC(=O)CCCN TS41316 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.3 COC(=O)CCSC TS05919 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.3 COCCC(=O)NN TS32330 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.3 COCCC(=O)OC TS32322 [0,0,1,0,0,0|3,0,0]=4 124 B7R0.10 C(C(=O)C(=O)CBr)Br TS27074 [0,0,1,0,0,0|2,0,0]=3 125 B7R0.10 CC(C(=O)OC)OC TS32317 [0,0,1,0,0,0|3,0,0]=4 126 B7R0.10 CC(C(=O)OC)SC TS05922 [0,0,1,0,0,0|3,0,0]=4 127 B7R0.10 CC=C(C(=O)OC)Br TS47656 [0,0,1,0,0,0|2,0,1]=4 128 B7R0.10 CC=C(C)C(=O)OC TS32064 [0,0,1,0,0,0|2,0,1]=4 129 B7R0.10 CC=C(C)C(=O)OC TS32066 [0,0,1,0,0,0|2,0,1]=4 130 B7R0.10 CCC(=C(C)CC)C TS04354 [0,0,1,0,0,0|2,0,0]=3 131 B7R0.10 CCC(=C(C)CC)C TS31959 [0,0,1,0,0,0|2,0,0]=3 132 B7R0.10 CCC(C(=O)CC)O TS32221 [0,0,1,0,0,0|0,0,2]=3 133 B7R0.10 CCC(C(=O)OC)Br TS65236 [0,0,1,0,0,0|2,0,1]=4 134 B7R0.10 CCC(C(=O)OC)Cl TS06135 [0,0,1,0,0,0|2,0,1]=4 135 B7R0.10 CCC(C(=O)OC)N TS41307 [0,0,1,0,0,0|2,0,1]=4 136 B7R0.10 CCC(C(C)C=O)S TS05778 [0,0,1,0,0,0|2,0,1]=4 137 B7R0.10 CCC(C)C(=C)CC TS04351 [0,0,1,0,0,0|2,0,1]=4 138 B7R0.10 CCC(C)C(=CC)C TS04350 [0,0,1,0,0,0|2,0,0]=3 139 B7R0.10 CCC(C)C(=O)CC TS04477 [0,0,1,0,0,0|1,0,1]=3 140 B7R0.10 CCC(C)C(=O)OC TS04590 [0,0,1,0,0,0|2,0,0]=3 141 B7R0.10 CCC(C)C(=O)SC TS05776 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.10 CCC(C)C(C)C=C TS04364 [0,0,1,0,0,0|2,0,1]=4 143 B7R0.10 CCC(C)C(C)C=O TS04460 [0,0,1,0,0,0|1,0,1]=3 144 B7R0.10 CNC(=O)C(=O)NC TS32195 [0,0,1,0,0,0|2,0,0]=3 145 B7R0.10 COC(=O)C(=C)CBr TS47657 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.10 COC(=O)C(=O)CBr TS14714 [0,0,1,0,0,0|2,0,0]=3 147 B7R0.10 COC(=O)C(=O)OC TS39853 [0,0,1,0,0,0|2,0,0]=3 148 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [0,0,1,0,0,0|3,0,0]=4 149 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [0,0,1,0,0,0|3,0,0]=4 150 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [0,0,1,0,0,0|3,0,0]=4 151 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [0,0,1,0,0,0|3,0,0]=4 152 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [0,0,1,0,0,0|3,0,0]=4 153 B7R0.16 CC(=C(N(C)C)Cl)C TS05850 [0,0,1,0,0,0|3,0,0]=4 154 B7R0.16 CC(=C)C(=O)N(C)C TS04392 [0,0,1,0,0,0|2,0,0]=3 155 B7R0.16 CC(C(=O)C(C)Br)Br TS27079 [0,0,1,0,0,0|2,0,1]=4 156 B7R0.16 CC(C(=O)N(C)C)Br TS14492 [0,0,1,0,0,0|2,0,1]=4 157 B7R0.16 CC(C(=O)N(C)C)O TS32283 [0,0,1,0,0,0|1,0,2]=4 158 B7R0.16 CC(C)C(=C(C)C)C TS31980 [0,0,1,0,0,0|2,0,0]=3 159 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [0,0,1,0,0,0|1,0,0]=2 160 B7R0.16 CC(C)C(=O)C(C)C TS04472 [0,0,1,0,0,0|1,0,1]=3 161 B7R0.16 CC(C)C(C(=C)C)O TS32111 [0,0,1,0,0,0|1,0,2]=4 162 B7R0.16 CC(C)C(C(=O)Br)Br TS27078 [0,0,1,0,0,0|2,0,1]=4 163 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [0,0,1,0,0,0|2,0,1]=4 164 B7R0.16 CC(C)C(C(=O)O)O TS04712 [0,0,1,0,0,0|1,0,2]=4 165 B7R0.16 CC(C)C(C)C(=O)O TS32220 [0,0,1,0,0,0|2,0,1]=4 166 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [0,0,1,0,0,0|2,0,1]=4 167 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [0,0,1,0,0,0|2,0,1]=4 168 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [0,0,1,0,0,0|2,0,1]=4 169 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [0,0,1,0,0,0|2,0,1]=4 170 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [0,0,1,0,0,0|2,0,1]=4 171 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [0,0,1,0,0,0|1,0,2]=4 172 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [0,0,1,0,0,0|2,0,1]=4 173 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [0,0,1,0,0,0|2,0,1]=4 174 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [0,0,1,0,0,0|2,0,1]=4 175 B7R0.16 CN(C)C(=O)N(C)C TS32852 [0,0,1,0,0,0|3,0,0]=4 176 B7R1.15 c1c(c(=O)c1=O)[O-] TS32404 [0,0,0,0,1,0|1,0,2]=4 177 B9R1.3 C1CC(=C(C(=O)C1)Cl)O TS07278 [0,0,0,0,0,1|2,0,1]=4 178 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,0,0,0,0,1|0,0,0]=1 179 B9R1.3 CN1CCCC(C1=O)N TS88173 [0,0,0,0,0,1|2,0,1]=4 180 B9R1.3 CN1CCCN(C1=O)C TS59889 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.3 C[C@@H]1CCC[C@@H](C1=C)C TS05063 [0,0,0,0,0,1|2,0,1]=4 182 B9R1.3 C[C@H]1CCC[C@@H](C1=C)C TS05052 [0,0,0,0,0,1|2,0,1]=4 183 B9R1.69 C1CC(=O)NC(=O)C1N TS42830 [0,0,0,0,0,1|1,0,0]=2 184 B9R1.69 C1CC(=O)NC(=O)C1N TS86733 [0,0,0,0,0,1|1,0,0]=2 185 B9R1.69 C1CC(=O)NC(=O)C1N TS93583 [0,0,0,0,0,1|1,0,0]=2 186 B9R1.69 C1CC(=O)NC(=O)C1N TS93593 [0,0,0,0,0,1|1,0,0]=2 187 B9R1.69 CC1CCC(=O)CC1C TS36162 [0,0,0,0,0,1|1,0,1]=3 188 B9R1.69 CC1CCC(=O)N(C1)C TS36241 [0,0,0,0,0,1|2,0,0]=3 189 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,0,0,0,0,1|1,0,1]=3 190 B9R1.69 CC1CN(CCC1=O)C TS00372 [0,0,0,0,0,1|2,0,1]=4 191 B9R1.69 CC1CNC(=O)NC1=O TS36286 [0,0,0,0,0,1|1,0,0]=2 192 B9R1.69 CN1CC(CCC1=O)N TS86285 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.69 C[C@@H]1CCC(=O)C[C@H]1C TS05202 [0,0,0,0,0,1|1,0,1]=3 194 B9R1.69 C[C@H]1CCC(=O)C[C@H]1C TS36152 [0,0,0,0,0,1|1,0,1]=3 195 B9R1.69 Cc1c(=O)[nH]c(=O)[nH]n1 TS05249 [0,0,0,0,0,1|2,0,1]=4 196 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O TS09147 [0,0,0,0,0,1|1,0,2]=4 197 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O TS36264 [0,0,0,0,0,1|1,0,2]=4 198 B9R1.69 Cn1ccc(=O)[nH]c1=O TS47007 [0,0,0,0,0,1|1,0,2]=4 199 B6R0.1 CC(CC=C)C=C TS31383 [1,0,1,0,0,0|1,0,1]=4 200 B6R0.1 CC(CC=O)SC TS32354 [1,0,1,0,0,0|1,0,1]=4 201 B6R0.1 CC(CCO)C=C TS31514 [1,0,1,0,0,0|1,0,1]=4 202 B6R0.1 CC=CC(=O)OC TS56315 [1,0,1,0,0,0|1,0,1]=4 203 B6R0.1 CCC(=O)C=CC TS31436 [1,0,1,0,0,0|0,0,1]=3 204 B6R0.1 CCC(=O)CSC TS32357 [1,0,1,0,0,0|1,0,1]=4 205 B6R0.1 CCC(=O)NCC TS03904 [1,0,1,0,0,0|1,0,0]=3 206 B6R0.1 CCC(=O)OCC TS03938 [1,0,1,0,0,0|1,0,0]=3 207 B6R0.1 CCC(=O)SCC TS32362 [1,0,1,0,0,0|1,0,0]=3 208 B6R0.1 CCC(C)C=CC TS03791 [1,0,1,0,0,0|1,0,0]=3 209 B6R0.1 CCC(C)CC=C TS03804 [1,0,1,0,0,0|1,0,1]=4 210 B6R0.1 CCC(C)CC=O TS31513 [1,0,1,0,0,0|0,0,1]=3 211 B6R0.1 CCC(C)ON=O TS31635 [1,0,1,0,0,0|2,0,0]=4 212 B6R0.1 CCC(C=CC)O TS03868 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.1 CCC=C(C)C=O TS03779 [1,0,1,0,0,0|1,0,1]=4 214 B6R0.1 CCCC(=C)C=O TS31425 [1,0,1,0,0,0|1,0,0]=3 215 B6R0.1 CCCC(=C)CC TS03794 [1,0,1,0,0,0|1,0,1]=4 216 B6R0.1 CCCC(=CC)C TS31455 [1,0,1,0,0,0|2,0,0]=4 217 B6R0.1 CCCC(=O)CC TS31522 [1,0,1,0,0,0|0,0,1]=3 218 B6R0.1 CCCC(=O)NN TS31598 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.1 CCCC(=O)OC TS03955 [1,0,1,0,0,0|1,0,1]=4 220 B6R0.1 CCCC(C)C=C TS03798 [1,0,1,0,0,0|1,0,1]=4 221 B6R0.1 CCCC(C)C=O TS01565 [1,0,1,0,0,0|0,0,1]=3 222 B6R0.1 CCNC(=O)C=C TS03826 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.1 CCNC(=O)CCl TS04876 [1,0,1,0,0,0|2,0,0]=4 224 B6R0.1 CCNC(=O)OC TS31636 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.1 CCOC(=O)C=C TS33216 [1,0,1,0,0,0|2,0,0]=4 226 B6R0.1 CCOC(=O)C=O TS56148 [1,0,1,0,0,0|1,0,0]=3 227 B6R0.1 CCOC(=O)CBr TS56141 [1,0,1,0,0,0|2,0,0]=4 228 B6R0.1 CCOC(=O)CCl TS39825 [1,0,1,0,0,0|2,0,0]=4 229 B6R0.1 CCOC(=O)CF TS65215 [1,0,1,0,0,0|2,0,0]=4 230 B6R0.1 CCOC(=O)CN TS31646 [1,0,1,0,0,0|2,0,0]=4 231 B6R0.1 CCOC(=O)CN TS33221 [1,0,1,0,0,0|2,0,0]=4 232 B6R0.1 CCOC(=O)CO TS56147 [1,0,1,0,0,0|2,0,0]=4 233 B6R0.1 CCOC(=O)CS TS01466 [1,0,1,0,0,0|2,0,0]=4 234 B6R0.1 CCOC(=O)NC TS31637 [1,0,1,0,0,0|2,0,0]=4 235 B6R0.1 CCOC(=O)OC TS31662 [1,0,1,0,0,0|2,0,0]=4 236 B6R0.4 C(CC(=O)Cl)CBr TS94813 [1,0,1,0,0,0|2,0,0]=4 237 B6R0.4 C(CC(=O)Cl)CCl TS33157 [1,0,1,0,0,0|2,0,0]=4 238 B6R0.4 C(CC(=O)N)CN TS37256 [1,0,1,0,0,0|2,0,0]=4 239 B6R0.4 C(CC(=O)O)C=O TS31586 [1,0,1,0,0,0|1,0,1]=4 240 B6R0.4 C(CC(=O)O)CBr TS39744 [1,0,1,0,0,0|1,0,1]=4 241 B6R0.4 C(CC(=O)O)CI TS44433 [1,0,1,0,0,0|1,0,1]=4 242 B6R0.4 C(CC(=O)O)CN TS31643 [1,0,1,0,0,0|1,0,1]=4 243 B6R0.4 C(CC(=O)[O-])CO TS01692 [1,0,1,0,0,0|1,0,1]=4 244 B6R0.4 CC(=C)CCC=C TS03725 [1,0,1,0,0,0|1,0,1]=4 245 B6R0.4 CC(=C)CCCO TS31523 [1,0,1,0,0,0|2,0,0]=4 246 B6R0.4 CC(=O)CCC=C TS31440 [1,0,1,0,0,0|1,0,1]=4 247 B6R0.4 CC(=O)CCCCl TS03260 [1,0,1,0,0,0|1,0,1]=4 248 B6R0.4 CC(=O)CCCO TS39779 [1,0,1,0,0,0|1,0,1]=4 249 B6R0.4 CC(=O)CCSC TS32359 [1,0,1,0,0,0|1,0,1]=4 250 B6R0.4 CC(=O)OCC=O TS31580 [1,0,1,0,0,0|1,0,1]=4 251 B6R0.4 CC(C)CCC=C TS03801 [1,0,1,0,0,0|1,0,1]=4 252 B6R0.4 CC(C)CCC=O TS39767 [1,0,1,0,0,0|0,0,1]=3 253 B6R0.4 CC(C)COC=O TS03939 [1,0,1,0,0,0|1,0,1]=4 254 B6R0.4 CC(CCC=C)Br TS11654 [1,0,1,0,0,0|2,0,0]=4 255 B6R0.4 CC(CCC=C)O TS31524 [1,0,1,0,0,0|1,0,1]=4 256 B6R0.4 CCCCC(=C)C TS31452 [1,0,1,0,0,0|1,0,0]=3 257 B6R0.4 CCCCC(=O)Br TS42846 [1,0,1,0,0,0|1,0,0]=3 258 B6R0.4 CCCCC(=O)C TS31529 [1,0,1,0,0,0|0,0,1]=3 259 B6R0.4 CCCCC(=O)Cl TS32451 [1,0,1,0,0,0|1,0,0]=3 260 B6R0.4 CCCCC(=O)N TS31554 [1,0,1,0,0,0|1,0,0]=3 261 B6R0.4 CCCCC(=O)O TS03958 [1,0,1,0,0,0|0,0,1]=3 262 B6R0.4 CCCCC(=O)[O-] TS04789 [1,0,1,0,0,0|0,0,1]=3 263 B6R0.4 CCCCC(=O)[O-] TS30457 [1,0,1,0,0,0|0,0,1]=3 264 B6R0.4 CCCC[N+](=O)[O-] TS31647 [1,0,1,0,0,0|1,0,1]=4 265 B6R0.4 CCCC[Sn](=O)O TS43570 [1,0,1,0,0,0|1,0,1]=4 266 B6R0.4 CCCNC(=O)N TS31594 [1,0,1,0,0,0|2,0,0]=4 267 B6R0.4 CCCNC(=O)[O-] TS31634 [1,0,1,0,0,0|1,0,1]=4 268 B6R0.4 CCCOC(=O)C TS03949 [1,0,1,0,0,0|1,0,1]=4 269 B6R0.4 CCCOC(=O)Cl TS55808 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.4 CCCON(=O)=O TS04066 [1,0,1,0,0,0|2,0,0]=4 271 B6R0.4 CCCSC(=O)C TS32364 [1,0,1,0,0,0|1,0,1]=4 272 B6R0.4 CCCSC(=O)Cl TS06329 [1,0,1,0,0,0|2,0,0]=4 273 B6R0.4 CCNCC(=C)C TS03829 [1,0,1,0,0,0|2,0,0]=4 274 B6R0.4 CCNCC(=O)O TS01936 [1,0,1,0,0,0|1,0,1]=4 275 B6R0.4 CCOCC(=O)O TS16814 [1,0,1,0,0,0|1,0,1]=4 276 B6R0.4 CCSCC(=O)C TS32360 [1,0,1,0,0,0|1,0,1]=4 277 B6R0.4 CCSCC(=O)O TS04822 [1,0,1,0,0,0|1,0,1]=4 278 B6R0.4 CNCCC(=O)O TS03990 [1,0,1,0,0,0|1,0,1]=4 279 B6R0.4 COCCC(=O)O TS31660 [1,0,1,0,0,0|1,0,1]=4 280 B6R0.4 C[C@@H](CCC=C)O TS03860 [1,0,1,0,0,0|1,0,1]=4 281 B6R0.6 C(CC=O)CC=O TS03842 [1,0,1,0,0,0|0,0,0]=2 282 B6R0.6 C(CC=O)CC=O TS38555 [1,0,1,0,0,0|0,0,0]=2 283 B6R0.6 C(CCCl)CC=O TS32450 [1,0,1,0,0,0|1,0,1]=4 284 B6R0.6 C(CCO)CC=O TS03340 [1,0,1,0,0,0|0,0,2]=4 285 B6R0.6 C(NC=O)NC=O TS03932 [1,0,1,0,0,0|2,0,0]=4 286 B6R0.6 C=CCCCC=C TS03728 [1,0,1,0,0,0|2,0,0]=4 287 B6R0.6 CC=CCCCO TS31509 [1,0,1,0,0,0|2,0,0]=4 288 B6R0.6 CC=CCCCO TS31521 [1,0,1,0,0,0|2,0,0]=4 289 B6R0.6 CCCC=CC=O TS31421 [1,0,1,0,0,0|0,0,1]=3 290 B6R0.6 CCCC=CC=O TS31438 [1,0,1,0,0,0|0,0,1]=3 291 B6R0.6 CCCC=CC=O TS31444 [1,0,1,0,0,0|0,0,1]=3 292 B6R0.6 CCCCC=CBr TS11653 [1,0,1,0,0,0|1,0,0]=3 293 B6R0.6 CCCCC=CC TS03803 [1,0,1,0,0,0|1,0,0]=3 294 B6R0.6 CCCCCC=C TS31453 [1,0,1,0,0,0|1,0,1]=4 295 B6R0.6 CCCCCC=O TS39877 [1,0,1,0,0,0|0,0,1]=3 296 B6R0.6 CCCCN=C=O TS93082 [1,0,1,0,0,0|1,0,1]=4 297 B6R0.6 CCCCNC=O TS03902 [1,0,1,0,0,0|1,0,0]=3 298 B6R0.6 CCCCOC=C TS33237 [1,0,1,0,0,0|2,0,0]=4 299 B6R0.6 CCCCOC=O TS03954 [1,0,1,0,0,0|1,0,0]=3 300 B6R0.6 CCCCON=O TS31645 [1,0,1,0,0,0|2,0,0]=4 301 B6R0.6 CCCCS[SnH]=O TS23939 [1,0,1,0,0,0|2,0,0]=4 302 B6R0.6 CCCSC=CC TS04637 [1,0,1,0,0,0|2,0,0]=4 303 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [1,0,1,0,0,0|2,0,0]=4 304 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [1,0,1,0,0,0|2,0,0]=4 305 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [1,0,1,0,0,0|2,0,0]=4 306 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [1,0,1,0,0,0|2,0,0]=4 308 B6R0.3 CC(=C)C(=O)NC TS03820 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.3 CC(=C)C(=O)OC TS31500 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.3 CC(=O)C(=O)OC TS31579 [1,0,1,0,0,0|1,0,0]=3 311 B6R0.3 CC(C(=O)C)SC TS32356 [1,0,1,0,0,0|1,0,1]=4 312 B6R0.3 CC(C(=O)O)NC TS31640 [1,0,1,0,0,0|1,0,1]=4 313 B6R0.3 CC(C(=O)OC)Br TS12330 [1,0,1,0,0,0|2,0,0]=4 314 B6R0.3 CC(C(=O)OC)Br TS93879 [1,0,1,0,0,0|2,0,0]=4 315 B6R0.3 CC(C(=O)OC)Cl TS04944 [1,0,1,0,0,0|2,0,0]=4 316 B6R0.3 CC(C(=O)OC)N TS55725 [1,0,1,0,0,0|2,0,0]=4 317 B6R0.3 CC(C(=O)OC)O TS31661 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.3 CC(C)C(=N)OC TS37144 [1,0,1,0,0,0|2,0,0]=4 319 B6R0.3 CC(C)C(=O)CBr TS00029 [1,0,1,0,0,0|1,0,1]=4 320 B6R0.3 CC(C)C(=O)NN TS31595 [1,0,1,0,0,0|2,0,0]=4 321 B6R0.3 CC(C)C(=O)NN TS66305 [1,0,1,0,0,0|2,0,0]=4 322 B6R0.3 CC(C)C(=O)NO TS03991 [1,0,1,0,0,0|1,0,1]=4 323 B6R0.3 CC(C)C(=O)OC TS03944 [1,0,1,0,0,0|1,0,0]=3 324 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [1,0,1,0,0,0|1,1,0]=4 325 B6R0.3 CC(CN)C(=O)O TS04859 [1,0,1,0,0,0|1,0,1]=4 326 B6R0.3 CC(CN)C(=O)O TS31641 [1,0,1,0,0,0|1,0,1]=4 327 B6R0.3 CC(CO)C(=O)C TS03953 [1,0,1,0,0,0|1,0,1]=4 328 B6R0.3 CC(CS)C(=O)O TS04823 [1,0,1,0,0,0|1,0,1]=4 329 B6R0.3 CC=C(C)C(=O)C TS31447 [1,0,1,0,0,0|1,0,1]=4 330 B6R0.3 CC=C(C)C(C)C TS03807 [1,0,1,0,0,0|1,0,0]=3 331 B6R0.3 CC=C(C)C(C)C TS31450 [1,0,1,0,0,0|1,0,0]=3 332 B6R0.3 CCC(=C)C(C)C TS03792 [1,0,1,0,0,0|1,0,1]=4 333 B6R0.3 CCC(=O)C(=O)C TS03844 [1,0,1,0,0,0|0,0,0]=2 334 B6R0.3 CCC(=O)C(=O)O TS31578 [1,0,1,0,0,0|1,0,0]=3 335 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [1,0,1,0,0,0|1,0,0]=3 336 B6R0.3 CCC(=O)C(C)C TS31520 [1,0,1,0,0,0|0,0,1]=3 337 B6R0.3 CCC(=O)N(C)C TS31553 [1,0,1,0,0,0|1,0,1]=4 338 B6R0.3 CCC(C(=C)C)O TS31517 [1,0,1,0,0,0|2,0,0]=4 339 B6R0.3 CCC(C(=O)Br)Br TS52915 [1,0,1,0,0,0|2,0,0]=4 340 B6R0.3 CCC(C(=O)C)S TS32355 [1,0,1,0,0,0|0,1,1]=4 341 B6R0.3 CCC(C(=O)Cl)Br TS48787 [1,0,1,0,0,0|2,0,0]=4 342 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [1,0,1,0,0,0|2,0,0]=4 343 B6R0.3 CCC(C(=O)N)Cl TS04875 [1,0,1,0,0,0|2,0,0]=4 344 B6R0.3 CCC(C(=O)N)N TS93870 [1,0,1,0,0,0|2,0,0]=4 345 B6R0.3 CCC(C(=O)N)N TS94086 [1,0,1,0,0,0|2,0,0]=4 346 B6R0.3 CCC(C(=O)O)Br TS12329 [1,0,1,0,0,0|1,0,1]=4 347 B6R0.3 CCC(C(=O)O)Cl TS04940 [1,0,1,0,0,0|1,0,1]=4 348 B6R0.3 CCC(C(=O)O)N TS45781 [1,0,1,0,0,0|1,0,1]=4 349 B6R0.3 CCC(C(=O)O)N TS47470 [1,0,1,0,0,0|1,0,1]=4 350 B6R0.3 CCC(C(=O)O)O TS31670 [1,0,1,0,0,0|1,0,1]=4 351 B6R0.3 CCC(C(=O)[O-])O TS05131 [1,0,1,0,0,0|1,0,1]=4 352 B6R0.3 CCC(C)C(=O)C TS31518 [1,0,1,0,0,0|0,0,1]=3 353 B6R0.3 CCC(C)C(=O)Cl TS04836 [1,0,1,0,0,0|1,0,0]=3 354 B6R0.3 CCC(C)C(=O)O TS03945 [1,0,1,0,0,0|0,0,1]=3 355 B6R0.3 CCN(C)C(=O)Cl TS56394 [1,0,1,0,0,0|2,0,0]=4 356 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [1,0,1,0,0,0|1,0,1]=4 357 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [1,0,1,0,0,0|1,0,1]=4 358 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [1,0,1,0,0,0|1,0,1]=4 359 B6R0.3 CC[C@H](C(=O)N)N TS93011 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [1,0,1,0,0,0|1,0,1]=4 361 B6R0.3 CC[C@H](C(=O)O)N TS64880 [1,0,1,0,0,0|1,0,1]=4 362 B6R0.3 CN(C)C(=O)C=C TS03821 [1,0,1,0,0,0|1,0,1]=4 363 B6R0.3 CNC(=O)N(C)C TS31600 [1,0,1,0,0,0|2,0,0]=4 364 B6R0.3 COC(=O)C(=O)Cl TS34587 [1,0,1,0,0,0|2,0,0]=4 365 B6R0.3 COC(=O)C(=O)N TS31629 [1,0,1,0,0,0|2,0,0]=4 366 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [1,0,1,0,0,0|1,0,1]=4 367 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [1,0,1,0,0,0|1,0,1]=4 368 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [1,0,1,0,0,0|1,0,1]=4 369 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [1,0,1,0,0,0|2,0,0]=4 370 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [1,0,1,0,0,0|2,0,0]=4 371 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [1,0,1,0,0,0|1,0,1]=4 372 B6R0.3 C[C@H](C(=O)N)OC TS31644 [1,0,1,0,0,0|2,0,0]=4 373 B6R0.3 C[C@H](C(=O)OC)F TS31728 [1,0,1,0,0,0|2,0,0]=4 374 B6R0.3 C[C@H](C(=O)OC)N TS01765 [1,0,1,0,0,0|2,0,0]=4 375 B6R0.3 C[C@H](C(=O)OC)O TS04018 [1,0,1,0,0,0|2,0,0]=4 376 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [1,0,1,0,0,0|2,0,0]=4 377 B6R0.3 C[C@H](CO)C(=O)O TS31672 [1,0,1,0,0,0|1,0,1]=4 378 B6R0.2 CC(=CC(=C)C)C TS03733 [1,0,1,0,0,0|1,0,1]=4 379 B6R0.2 CC(=CC(=O)C)C TS31432 [1,0,1,0,0,0|0,0,1]=3 380 B6R0.2 CC(=CC(=O)C)N TS03815 [1,0,1,0,0,0|1,0,1]=4 381 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [1,0,1,0,0,0|1,0,1]=4 382 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [1,0,1,0,0,0|1,0,1]=4 383 B6R0.2 CC(=CC(=O)Cl)C TS04766 [1,0,1,0,0,0|1,0,1]=4 384 B6R0.2 CC(=CC(=O)O)C TS03839 [1,0,1,0,0,0|1,0,1]=4 385 B6R0.2 CC(=O)CN(C)C TS31555 [1,0,1,0,0,0|1,0,1]=4 386 B6R0.2 CC(C)CC(=C)C TS31451 [1,0,1,0,0,0|1,0,1]=4 387 B6R0.2 CC(C)CC(=O)C TS31526 [1,0,1,0,0,0|0,0,1]=3 388 B6R0.2 CC(C)CC(=O)Cl TS32446 [1,0,1,0,0,0|1,0,1]=4 389 B6R0.2 CC(C)CC(=O)N TS31557 [1,0,1,0,0,0|1,0,1]=4 390 B6R0.2 CC(C)CC(=O)O TS03936 [1,0,1,0,0,0|1,0,1]=4 391 B6R0.2 CC(C)CC(=O)[O-] TS32589 [1,0,1,0,0,0|1,0,1]=4 392 B6R0.2 CC(C)NC(=O)N TS31602 [1,0,1,0,0,0|2,0,0]=4 393 B6R0.2 CC(C)OC(=O)C TS01509 [1,0,1,0,0,0|1,0,0]=3 394 B6R0.2 CC(C)OC(=O)Cl TS59649 [1,0,1,0,0,0|2,0,0]=4 395 B6R0.2 CC(C)OC(=O)N TS03993 [1,0,1,0,0,0|2,0,0]=4 396 B6R0.2 CC(C=C(C)C)O TS03862 [1,0,1,0,0,0|2,0,0]=4 397 B6R1.2 C1C(=O)NCN1 TS32972 [2,0,0,0,0,0|2,0,0]=4 398 B6R1.2 C1C=CC(=O)N1 TS71697 [2,0,0,0,0,0|1,0,1]=4 399 B6R1.2 C1C=CC(=O)O1 TS03476 [2,0,0,0,0,0|1,0,1]=4 400 B6R1.2 C1CC(=N)SC1 TS03910 [2,0,0,0,0,0|2,0,0]=4 401 B6R1.2 C1CC(=NC1)N TS04838 [2,0,0,0,0,0|2,0,0]=4 402 B6R1.2 C1CC(=O)C=C1 TS00977 [2,0,0,0,0,0|0,0,1]=3 403 B6R1.2 C1CC(=O)NC1 TS39938 [2,0,0,0,0,0|1,0,0]=3 404 B6R1.2 C1CC(=O)NC1 TS63365 [2,0,0,0,0,0|1,0,0]=3 405 B6R1.2 C1CC(=O)SC1 TS31607 [2,0,0,0,0,0|1,0,0]=3 406 B6R1.2 C1CC(=S)NC1 TS03912 [2,0,0,0,0,0|1,1,0]=4 407 B6R1.2 C1CC(C=C1)Cl TS31621 [2,0,0,0,0,0|1,0,0]=3 408 B6R1.2 C1CC=C(C1)Cl TS31619 [2,0,0,0,0,0|1,0,0]=3 409 B6R1.2 C1CCC(=O)C1 TS03493 [2,0,0,0,0,0|0,0,1]=3 410 B6R1.2 C1CCS(=O)C1 TS31677 [2,0,0,0,0,0|1,0,1]=4 411 B6R1.2 C1CNC(=O)N1 TS93146 [2,0,0,0,0,0|2,0,0]=4 412 B6R1.2 C1CNCC1=O TS88446 [2,0,0,0,0,0|1,0,1]=4 413 B6R1.2 C1CNNC1=O TS04946 [2,0,0,0,0,0|2,0,0]=4 414 B6R1.2 C1COC(=O)N1 TS03552 [2,0,0,0,0,0|2,0,0]=4 415 B6R1.2 C1COC(=O)O1 TS71793 [2,0,0,0,0,0|2,0,0]=4 416 B6R1.2 C1COCC1=O TS01440 [2,0,0,0,0,0|1,0,1]=4 417 B6R1.2 C1CSC(=O)N1 TS03996 [2,0,0,0,0,0|2,0,0]=4 418 B6R1.2 C1CSCC1=O TS81072 [2,0,0,0,0,0|1,0,1]=4 419 B6R1.2 CC1=CCCC1 TS71683 [2,0,0,0,0,0|1,0,0]=3 420 B6R1.2 CC1=CCCO1 TS03492 [2,0,0,0,0,0|2,0,0]=4 421 B6R1.2 CC1=NCCC1 TS32917 [2,0,0,0,0,0|2,0,0]=4 422 B6R1.2 CC1CCCC1 TS22155 [2,0,0,0,0,0|0,0,2]=4 423 B6R1.2 CC1CCCC1 TS22325 [2,0,0,0,0,0|0,0,2]=4 424 B6R1.2 CC1CCCC1 TS31194 [2,0,0,0,0,0|0,0,2]=4 425 B6R1.2 CC1CCCC1 TS69413 [2,0,0,0,0,0|0,0,2]=4 426 B6R1.2 CC1CCCC1 TS77214 [2,0,0,0,0,0|0,0,2]=4 427 B6R1.2 CC1CCCC1 TS77590 [2,0,0,0,0,0|0,0,2]=4 428 B6R1.2 CC1CCCN1 TS03512 [2,0,0,0,0,0|1,0,1]=4 429 B6R1.2 CC1CCCO1 TS71748 [2,0,0,0,0,0|1,0,1]=4 430 B6R1.2 CC1CCCS1 TS03982 [2,0,0,0,0,0|1,0,1]=4 431 B6R1.2 CC1CCNC1 TS04878 [2,0,0,0,0,0|1,0,1]=4 432 B6R1.2 CC1CCOC1 TS71755 [2,0,0,0,0,0|1,0,1]=4 433 B6R1.2 CC1CCSC1 TS03984 [2,0,0,0,0,0|1,0,1]=4 434 B6R1.2 C[C@@H]1CCNC1 TS46531 [2,0,0,0,0,0|1,0,1]=4 435 B6R1.2 C[C@H]1CCCN1 TS08127 [2,0,0,0,0,0|1,0,1]=4 436 B6R1.2 C[C@H]1CCCN1 TS59864 [2,0,0,0,0,0|1,0,1]=4 437 B6R1.2 C[C@H]1CCNC1 TS04879 [2,0,0,0,0,0|1,0,1]=4 438 B8R0.1 CC(COC=O)OC=O TS05703 [0,1,1,0,0,0|1,0,0]=3 439 B8R0.1 CCCCC(=O)C=CC TS05182 [0,1,1,0,0,0|1,0,0]=3 440 B8R0.1 CCCCC(=O)CCC TS36329 [0,1,1,0,0,0|1,0,1]=4 441 B8R0.1 CCCCC(=O)OC=C TS05348 [0,1,1,0,0,0|1,0,0]=3 442 B8R0.1 CCCCC(=O)OCC TS36495 [0,1,1,0,0,0|1,0,1]=4 443 B8R0.1 CCCOC(=O)C=CC TS05345 [0,1,1,0,0,0|2,0,0]=4 444 B8R0.3 CCCC(C(=O)OC)Br TS93475 [0,1,1,0,0,0|2,0,0]=4 445 B8R0.3 CCCC(C)C(=O)OC TS05547 [0,1,1,0,0,0|2,0,0]=4 446 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [0,1,1,0,0,0|2,0,0]=4 447 B8R0.6 CCCCCC(=O)C=C TS05201 [0,1,1,0,0,0|1,0,0]=3 448 B8R0.6 CCCCCC(=O)CC TS36343 [0,1,1,0,0,0|1,0,1]=4 449 B8R0.6 CCCCCC(=O)NO TS05662 [0,1,1,0,0,0|1,0,1]=4 450 B8R0.6 CCCCCC(=O)OC TS36499 [0,1,1,0,0,0|2,0,0]=4 451 B8R0.6 CCCCNC(=O)C=C TS05274 [0,1,1,0,0,0|1,0,0]=3 452 B8R0.6 CCCCNC(=O)CC TS36435 [0,1,1,0,0,0|1,0,1]=4 453 B8R0.6 CCCCNC(=O)CCl TS40802 [0,1,1,0,0,0|1,0,1]=4 454 B8R0.6 CCCCNC(=O)OC TS36586 [0,1,1,0,0,0|2,0,0]=4 455 B8R0.6 CCCCOC(=O)C#C TS05149 [0,1,1,0,0,0|1,0,1]=4 456 B8R0.6 CCCCOC(=O)C=C TS36291 [0,1,1,0,0,0|1,0,0]=3 457 B8R0.6 CCCCOC(=O)C=O TS36470 [0,1,1,0,0,0|0,0,0]=2 458 B8R0.6 CCCCOC(=O)CC TS05554 [0,1,1,0,0,0|1,0,1]=4 459 B8R0.6 CCCCOC(=O)CCl TS09968 [0,1,1,0,0,0|1,0,1]=4 460 B8R0.6 CCCCOC(=O)CF TS05889 [0,1,1,0,0,0|1,0,1]=4 461 B8R0.6 CCCCOC(=O)CN TS12446 [0,1,1,0,0,0|1,0,1]=4 462 B8R0.6 CCCCOC(=O)CO TS05729 [0,1,1,0,0,0|0,0,2]=4 463 B8R0.6 CCCCOC(=O)CS TS07490 [0,1,1,0,0,0|0,1,1]=4 464 B8R0.6 CCSCCC(=O)OC TS07487 [0,1,1,0,0,0|2,0,0]=4 465 B8R0.6 COC(=O)CCCCBr TS51950 [0,1,1,0,0,0|2,0,0]=4 466 B8R0.6 COC(=O)CCCCCl TS09970 [0,1,1,0,0,0|2,0,0]=4 467 B8R0.6 COCCOC(=O)C=C TS05521 [0,1,1,0,0,0|2,0,0]=4 468 B8R0.8 CC(CCC#N)C(=O)C TS36070 [0,1,1,0,0,0|1,0,1]=4 469 B8R0.8 CCCC=C(C)C(=O)O TS36301 [0,1,1,0,0,0|1,0,1]=4 470 B8R0.8 CCCCC(=C(C)C)C TS05209 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.8 CCCCC(=O)C(=O)C TS05337 [0,1,1,0,0,0|0,0,0]=2 472 B8R0.8 CCCCC(=O)C(=O)[O-] TS41093 [0,1,1,0,0,0|0,0,0]=2 473 B8R0.8 CCCCC(=O)C(C)C TS36328 [0,1,1,0,0,0|1,0,1]=4 474 B8R0.8 CCCCC(=O)N(C)C TS05483 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.8 CCCCC(C(=O)Br)Br TS68068 [0,1,1,0,0,0|1,0,1]=4 476 B8R0.8 CCCCC(C(=O)Cl)Br TS21557 [0,1,1,0,0,0|1,0,1]=4 477 B8R0.8 CCCCC(C(=O)N)N TS43162 [0,1,1,0,0,0|1,0,1]=4 478 B8R0.8 CCCCC(C(=O)O)Br TS51947 [0,1,1,0,0,0|1,0,1]=4 479 B8R0.8 CCCCC(C(=O)O)N TS05663 [0,1,1,0,0,0|1,0,1]=4 480 B8R0.8 CCCCC(C(=O)O)O TS05717 [0,1,1,0,0,0|0,0,2]=4 481 B8R0.8 CCCCC(C)C(=O)C TS05385 [0,1,1,0,0,0|1,0,1]=4 482 B8R0.8 CCCCC(C)C(=O)Cl TS07516 [0,1,1,0,0,0|1,0,1]=4 483 B8R0.8 CCCCC(C)C(=O)O TS05567 [0,1,1,0,0,0|1,0,1]=4 484 B8R0.8 CCCC[C@@H](C(=O)N)N TS43160 [0,1,1,0,0,0|1,0,1]=4 485 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [0,1,1,0,0,0|1,0,1]=4 486 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [0,1,1,0,0,0|1,0,1]=4 487 B8R0.8 CCCOC(=O)C(=C)C TS36313 [0,1,1,0,0,0|2,0,0]=4 488 B8R0.8 CCCOC(=O)C(=O)C TS40210 [0,1,1,0,0,0|1,0,0]=3 489 B8R0.8 CSCCC(=O)C(=O)[O-] TS12781 [0,1,1,0,0,0|1,0,0]=3 490 B8R0.9 CC(C)CCC(=O)OC TS36500 [0,1,1,0,0,0|2,0,0]=4 491 B8R0.9 CC(C)COC(=O)C=C TS05334 [0,1,1,0,0,0|2,0,0]=4 492 B8R0.9 CC(COC(=O)C=C)O TS36472 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.9 CCC(=O)CCC(C)C TS05386 [0,1,1,0,0,0|1,0,1]=4 494 B8R0.9 CCC(C)CCC(=O)C TS05381 [0,1,1,0,0,0|1,0,1]=4 495 B8R0.9 CCC(C)CCC(=O)O TS36505 [0,1,1,0,0,0|1,0,1]=4 496 B8R0.9 CN(CCC(=O)O)N=O TS36639 [0,1,1,0,0,0|2,0,0]=4 497 B8R0.11 CCCC=C(CC)C=O TS05180 [0,1,1,0,0,0|1,0,1]=4 498 B8R0.11 CCCCC(CC)C=O TS36324 [0,1,1,0,0,0|1,0,1]=4 499 B8R0.19 CCC(C)CC(=O)CC TS36340 [0,1,1,0,0,0|1,0,1]=4 500 B8R0.19 CCC(C)CC(=O)OC TS36498 [0,1,1,0,0,0|2,0,0]=4 501 B8R0.19 CC[C@@H](CC(=O)OC)O TS64924 [0,1,1,0,0,0|2,0,0]=4 502 B8R0.19 CC[C@H](CC(=O)OC)O TS05724 [0,1,1,0,0,0|2,0,0]=4 503 B8R0.25 CC(C)(CCC#N)C=O TS09561 [0,1,1,0,0,0|1,0,1]=4 504 B8R0.2 CCC(C)C(=O)C(=O)O TS05535 [0,1,1,0,0,0|0,0,0]=2 505 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS41092 [0,1,1,0,0,0|0,0,0]=2 506 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS56035 [0,1,1,0,0,0|0,0,0]=2 507 B8R0.2 CCC(C)C(=O)C(C)C TS05377 [0,1,1,0,0,0|1,0,1]=4 508 B8R0.2 CCC(C)C(C(=O)O)Br TS51945 [0,1,1,0,0,0|1,0,1]=4 509 B8R0.2 CCC(C)C(C(=O)O)N TS05653 [0,1,1,0,0,0|1,0,1]=4 510 B8R0.2 CCC(C)C(C(=O)O)N TS36597 [0,1,1,0,0,0|1,0,1]=4 511 B8R0.2 CCC(C)C(C)C(=O)C TS05380 [0,1,1,0,0,0|1,0,1]=4 512 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N TS05657 [0,1,1,0,0,0|1,0,1]=4 513 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N TS36608 [0,1,1,0,0,0|1,0,1]=4 514 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] TS56033 [0,1,1,0,0,0|0,0,0]=2 515 B8R0.2 CC[C@H](C)[C@@H](C(=O)N)N TS43164 [0,1,1,0,0,0|1,0,1]=4 516 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)Cl TS09971 [0,1,1,0,0,0|1,0,1]=4 517 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N TS09198 [0,1,1,0,0,0|1,0,1]=4 518 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N TS01766 [0,1,1,0,0,0|1,0,1]=4 519 B8R0.13 CCC(=O)C(C)(C)CC TS36331 [0,1,1,0,0,0|1,0,1]=4 520 B8R0.13 CCC(C)(C(=O)OC)N TS43282 [0,1,1,0,0,0|2,0,0]=4 521 B8R0.13 CC[C@@](C)(C(=O)OC)N TS12445 [0,1,1,0,0,0|2,0,0]=4 522 B8R0.13 CC[C@](C)(C(=O)OC)N TS12450 [0,1,1,0,0,0|2,0,0]=4 523 B8R0.20 CCC(=O)N(CC)CC TS36430 [0,1,1,0,0,0|2,0,0]=4 524 B8R0.20 CCC(C(=O)OC)SC TS07492 [0,1,1,0,0,0|2,0,0]=4 525 B8R0.20 CCN(CC)C(=O)C=C TS05285 [0,1,1,0,0,0|2,0,0]=4 526 B8R0.18 CC(C)[C@@H](C(=O)[O-])N=O TS06219 [0,1,1,0,0,0|1,0,1]=4 527 B8R0.27 CC(C)(C)C(=O)C(=O)O TS05518 [0,1,1,0,0,0|1,0,0]=3 528 B8R0.27 CC(C)(C)C(=O)N(C)C TS36424 [0,1,1,0,0,0|2,0,0]=4 529 B8R0.27 CC(C)C(=O)C(C)(C)C TS36330 [0,1,1,0,0,0|1,0,1]=4 530 B8R1.1 C1C(CNC1=O)CN TS85675 [1,1,0,0,0,0|1,0,1]=4 531 B8R1.1 C1C(CNC1=O)CO TS89668 [1,1,0,0,0,0|1,0,1]=4 532 B8R1.1 C1C(OC(=O)N1)CCl TS06020 [1,1,0,0,0,0|2,0,0]=4 533 B8R1.1 C1C(OC(=O)O1)CO TS04697 [1,1,0,0,0,0|2,0,0]=4 534 B8R1.1 C1CC(=O)NC1CN TS32080 [1,1,0,0,0,0|1,0,0]=3 535 B8R1.1 C1CC(=O)N[C@@H]1CBr TS46367 [1,1,0,0,0,0|1,0,0]=3 536 B8R1.1 C1CC(=O)N[C@@H]1CN TS32077 [1,1,0,0,0,0|1,0,0]=3 537 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [1,1,0,0,0,0|1,0,0]=3 538 B8R1.1 C1CC(=O)N[C@H]1CBr TS46368 [1,1,0,0,0,0|1,0,0]=3 539 B8R1.1 C1CC(=O)N[C@H]1CN TS32073 [1,1,0,0,0,0|1,0,0]=3 540 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [1,1,0,0,0,0|1,0,0]=3 541 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [1,1,0,0,0,0|1,0,0]=3 542 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [1,1,0,0,0,0|1,0,1]=4 543 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [1,1,0,0,0,0|1,0,1]=4 544 B8R1.1 CCC1CCC(=O)C1 TS31941 [1,1,0,0,0,0|0,0,1]=3 545 B8R1.1 CCC1CCC(=O)O1 TS04438 [1,1,0,0,0,0|1,0,0]=3 546 B8R1.1 COC1=CC(=O)NC1 TS32006 [1,1,0,0,0,0|1,0,1]=4 547 B8R1.1 COC1=CC(=O)OC1 TS32039 [1,1,0,0,0,0|1,0,1]=4 548 B8R1.18 CC1=CC(=O)OC1O TS32042 [1,1,0,0,0,0|1,0,1]=4 549 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [1,1,0,0,0,0|1,0,1]=4 550 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [1,1,0,0,0,0|1,0,1]=4 551 B8R1.18 CC1CC(=O)CC1C TS31939 [1,1,0,0,0,0|0,0,1]=3 552 B8R1.18 CC1CC(C(=O)O1)Br TS47655 [1,1,0,0,0,0|1,0,0]=3 553 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [1,1,0,0,0,0|0,0,1]=3 554 B8R1.51 CC1(CC(=O)NC1)O TS04535 [1,1,0,0,0,0|1,0,1]=4 555 B8R1.51 CC1(CCC(=O)N1)C TS32021 [1,1,0,0,0,0|1,0,0]=3 556 B8R1.51 CC1(CCC(=O)O1)C TS16955 [1,1,0,0,0,0|1,0,0]=3 557 B8R1.51 CC1(COC(=O)N1)C TS90306 [1,1,0,0,0,0|2,0,0]=4 558 B8R1.51 CC1CCS(=O)(=O)C1 TS05918 [1,1,0,0,0,0|1,0,1]=4 559 B8R1.51 CP1(=O)CCC(=O)O1 TS05863 [1,1,0,0,0,0|2,0,0]=4 560 B8R1.11 C1CC(=C(C1)N)C#N TS31772 [1,1,0,0,0,0|2,0,0]=4 561 B8R1.11 C1CC(=O)C(=C1)CO TS31910 [1,1,0,0,0,0|0,0,2]=4 562 B8R1.11 C1CC(=O)N(C1)CO TS04519 [1,1,0,0,0,0|1,0,1]=4 563 B8R1.11 C1CC(C(=O)C1)C#N TS64878 [1,1,0,0,0,0|0,0,2]=4 564 B8R1.11 C=CN1CCCC1=O TS04250 [1,1,0,0,0,0|2,0,0]=4 565 B8R1.11 CCC1=C(CCC1)C TS04224 [1,1,0,0,0,0|2,0,0]=4 566 B8R1.11 CCC1CCCC1=O TS31928 [1,1,0,0,0,0|0,0,1]=3 567 B8R1.11 CCN1CCCC1=O TS32015 [1,1,0,0,0,0|1,0,1]=4 568 B8R1.19 CC1(CCC=N1=O)C TS32646 [1,1,0,0,0,0|1,0,0]=3 569 B8R1.19 CC1(CCCC1=O)C TS31947 [1,1,0,0,0,0|0,0,1]=3 570 B8R1.19 CC1(CCOC1=O)Br TS47654 [1,1,0,0,0,0|1,0,0]=3 571 B8R1.19 CC1(CCOC1=O)C TS55730 [1,1,0,0,0,0|1,0,0]=3 572 B8R1.19 CC1CCOS1(=O)=O TS37000 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.2 CCN1CCNC(=O)C1=O TS16309 [0,1,0,0,0,1|1,0,0]=3 574 B10R1.301 CC1CCCC(C1=O)(C)C TS06508 [0,1,0,0,0,1|1,0,1]=4 575 B10R1.25 CCC1CNC(=O)CC1=O TS86308 [0,1,0,0,0,1|1,0,0]=3 576 B10R1.63 CC1(CCC(=O)OC1=O)C TS37559 [0,1,0,0,0,1|0,0,0]=2 577 B10R1.176 CN1CCC(CC1=O)CN TS87165 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.176 CN1CCC(CC1=O)CO TS89046 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.540 CC1(CCC(C1=O)(C)C)C TS06499 [0,2,0,0,0,0|1,0,1]=4 580 B8R1.2 C1CC(=COC1)C=O TS31909 [0,0,1,1,0,0|2,0,0]=4 581 B8R1.2 C1CC(CC=C1)C=O TS60200 [0,0,1,1,0,0|1,0,0]=3 582 B8R1.2 C1CC(COC1)C=O TS16821 [0,0,1,1,0,0|0,0,2]=4 583 B8R1.2 C1CC(OC=C1)C=O TS89129 [0,0,1,1,0,0|2,0,0]=4 584 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,0,1,1,0,0|1,0,0]=3 585 B8R1.2 C1CCC(CC1)C=O TS01404 [0,0,1,1,0,0|1,0,1]=4 586 B8R1.2 C1CCN(CC1)C=O TS56398 [0,0,1,1,0,0|2,0,0]=4 587 B8R1.2 C1CCNC(C1)C=O TS04396 [0,0,1,1,0,0|1,0,1]=4 588 B8R1.2 C1CNCCC1C=O TS59355 [0,0,1,1,0,0|2,0,0]=4 589 B8R1.2 C1COCC(=C1)C=O TS31902 [0,0,1,1,0,0|2,0,0]=4 590 B8R1.2 C1COCCC1C=O TS59439 [0,0,1,1,0,0|2,0,0]=4 591 B8R1.3 CC1CCC(=O)CC1 TS39765 [0,0,1,1,0,0|1,0,1]=4 592 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,0,1,1,0,0|0,0,0]=2 593 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,0,1,1,0,0|1,0,1]=4 594 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,0,1,1,0,0|1,0,1]=4 595 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,0,1,1,0,0|0,0,2]=4 596 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,0,1,1,0,0|2,0,0]=4 597 B8R1.5 C1CNC(=O)C(=O)N1 TS32054 [0,0,1,1,0,0|2,0,0]=4 598 B8R1.5 CC1=C(CCCC1)C TS31858 [0,0,1,1,0,0|2,0,0]=4 599 B8R1.5 CC1=CCCCC1=O TS31839 [0,0,1,1,0,0|1,0,1]=4 600 B8R1.5 CC1CCCCC1=O TS01136 [0,0,1,1,0,0|1,0,1]=4 601 B8R1.5 CC1CCNCC1=O TS92225 [0,0,1,1,0,0|2,0,0]=4 602 B8R1.5 CN1CCCCC1=O TS04393 [0,0,1,1,0,0|2,0,0]=4 603 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,0,1,1,0,0|1,0,0]=3 604 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,0,1,1,0,0|2,0,0]=4 605 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,0,1,1,0,0|2,0,0]=4 606 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,0,1,1,0,0|2,0,0]=4 607 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,0,1,1,0,0|1,0,1]=4 608 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,1,1,0,0|2,0,0]=4 609 B8R1.38 C1CC(C1)C(=O)NN TS90294 [0,0,1,1,0,0|2,0,0]=4 610 B8R1.38 COC(=O)C1CCC1 TS32060 [0,0,1,1,0,0|2,0,0]=4 611 B8R1.40 COC(=O)CC1CC1 TS88176 [0,0,1,1,0,0|2,0,0]=4 612 B8R1.39 CC1(CC1)C(=O)OC TS60140 [0,0,1,1,0,0|2,0,0]=4 613 B8R1.54 CN(C)C(=O)C1CC1 TS32014 [0,0,1,1,0,0|2,0,0]=4 614 B10R2.25 C1CC2CC1C(C2=O)Cl TS07046 [0,0,0,1,0,1|1,0,1]=4 615 B10R2.25 C=C1C2CCC(C2)C1=O TS04898 [0,0,0,1,0,1|1,0,0]=3 616 B10R2.41 C1C2COC(C2=O)CN1 TS92354 [0,0,0,1,0,1|0,0,2]=4 617 B10R2.41 C1CC2CNCC1C2=O TS90612 [0,0,0,1,0,1|1,0,1]=4 618 B10R2.62 C1CC2CCC1C(=O)N2 TS36068 [0,0,0,1,0,1|1,0,1]=4 619 B10R2.62 C1CN2CCC1C(=O)C2 TS36069 [0,0,0,1,0,1|2,0,0]=4 620 B10R2.62 C1CN2CCC1C(=O)C2 TS70713 [0,0,0,1,0,1|2,0,0]=4 621 B10R2.178 C1CC2C(=O)CCC1N2 TS92148 [0,0,0,1,0,1|1,0,1]=4 622 B10R2.32 C1CC(=O)C2C1CNC2 TS42363 [0,1,0,1,0,0|1,0,1]=4 623 B6R1.5 C1C(CC1=O)Br TS90589 [1,0,0,0,1,0|1,0,1]=4 624 B6R1.5 C1C(CC1=O)F TS92277 [1,0,0,0,1,0|1,0,1]=4 625 B6R1.5 C1C(CC1=O)N TS88191 [1,0,0,0,1,0|1,0,1]=4 626 B6R1.5 CC1CC(=O)N1 TS71735 [1,0,0,0,1,0|1,0,0]=3 627 B8R0.23 CC(=O)CC(=O)C(F)F TS06039 [0,0,1,0,0,1|2,0,0]=4 628 B8R0.23 CC(=O)CC(=O)N(C)C TS36402 [0,0,1,0,0,1|1,0,0]=3 629 B8R0.23 CC(C)C(=O)OC(C)C TS05557 [0,0,1,0,0,1|1,0,1]=4 630 B8R0.23 CC(C)C=C(C)C(=O)O TS36308 [0,0,1,0,0,1|2,0,0]=4 631 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [0,0,1,0,0,1|0,0,0]=2 632 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [0,0,1,0,0,1|1,0,0]=3 633 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS41088 [0,0,1,0,0,1|1,0,0]=3 634 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS56034 [0,0,1,0,0,1|1,0,0]=3 635 B8R0.23 CC(C)CC(=O)C(C)C TS36332 [0,0,1,0,0,1|1,0,1]=4 636 B8R0.23 CC(C)NC(=O)C(=C)C TS05277 [0,0,1,0,0,1|1,0,0]=3 637 B8R0.23 CC(C)OC(=O)C(=C)C TS05342 [0,0,1,0,0,1|1,0,0]=3 638 B8R0.23 CC(C)OC(=O)C(C)O TS05725 [0,0,1,0,0,1|0,0,2]=4 639 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS12447 [0,0,1,0,0,1|1,0,1]=4 640 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS93955 [0,0,1,0,0,1|1,0,1]=4 641 B8R1.4 C1CC(=CC(=O)C1)Br TS13615 [1,0,0,0,0,1|1,0,1]=4 642 B8R1.4 C1CC(=CC(=O)C1)N TS39297 [1,0,0,0,0,1|1,0,1]=4 643 B8R1.4 C1CNC(=O)CC1N TS02971 [1,0,0,0,0,1|1,0,1]=4 644 B8R1.4 C1CNC(=O)CC1O TS03134 [1,0,0,0,0,1|1,0,1]=4 645 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [1,0,0,0,0,1|1,0,1]=4 646 B8R1.4 CC1=CC(=O)CCC1 TS04198 [1,0,0,0,0,1|0,0,1]=3 647 B8R1.4 CC1=CC(CCC1)O TS31949 [1,0,0,0,0,1|2,0,0]=4 648 B8R1.4 CC1=CCCC(=O)O1 TS31918 [1,0,0,0,0,1|1,0,1]=4 649 B8R1.4 CC1CC(=O)CCN1 TS59976 [1,0,0,0,0,1|0,0,1]=3 650 B8R1.4 CC1CC(=O)CCO1 TS87534 [1,0,0,0,0,1|0,0,1]=3 651 B8R1.4 CC1CCCC(=C1)C TS48310 [1,0,0,0,0,1|1,0,0]=3 652 B8R1.4 CC1CCCC(=O)O1 TS04447 [1,0,0,0,0,1|1,0,0]=3 653 B8R1.4 CC1CCN=C(S1)N TS05581 [1,0,0,0,0,1|2,0,0]=4 654 B8R1.4 CC1CCNC(=N)C1 TS45483 [1,0,0,0,0,1|1,0,1]=4 655 B8R1.4 CC1CCOC(=O)C1 TS32063 [1,0,0,0,0,1|0,0,1]=3 656 B8R1.4 CN1CCCC(=O)C1 TS46998 [1,0,0,0,0,1|1,0,1]=4 657 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [1,0,0,0,0,1|0,0,1]=3 658 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [1,0,0,0,0,1|0,0,1]=3 659 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [1,0,0,0,0,1|1,0,0]=3 660 B8R1.4 C[C@@H]1COCC(=O)N1 TS04524 [1,0,0,0,0,1|1,0,0]=3 661 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [1,0,0,0,0,1|0,0,1]=3