0 B5R0.3 CCC(=O)CC CUR-0101500 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CCC(C)CO CUR-0101523 [0,0,0,0,0,0|0,0,4]=4 2 B5R0.3 CCC(C)NN CUR-0004060 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 CC\C(=N/O)\N CUR-0010533 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 CNC(=O)C#C CUR-0016542 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CNC(=O)CCl CUR-0099536 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CNC(=O)NC CUR-0101521 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 CNC(=S)NC CUR-0101643 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 CNC(=S)NN CUR-0026769 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 COC(=N)CCl CUR-0101034 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 COC(=O)C#C CUR-0008050 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 COC(=O)C=C CUR-0018588 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 COC(=O)CBr CUR-0102451 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 COC(=O)CCl CUR-0019510 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 COC(=O)CN CUR-0016914 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 COC(=O)CO CUR-0101535 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 COC(=O)CS CUR-0014981 [0,0,0,0,0,0|2,1,1]=4 17 B5R0.3 COC(=O)NN CUR-0100906 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.3 COC(=O)OC CUR-0101536 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 C#CC(=O)O CUR-0101441 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C(=C(Cl)Cl)Cl CUR-0101983 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 C(=O)(N)NN CUR-0003223 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 C(=O)(N)NO CUR-0001014 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 C(=O)C(=O)O CUR-0021308 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 C(C(=O)Br)Br CUR-0006369 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C(C(=O)Cl)Cl CUR-0004550 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C(C(=O)N)Br CUR-0014813 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C(C(=O)N)Cl CUR-0007516 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C(C(=O)N)N CUR-0101687 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C(C(=O)N)O CUR-0113957 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C(C(=O)O)Br CUR-0100788 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C(C(=O)O)Cl CUR-0003311 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C(C(=O)O)I CUR-0003176 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 C(C(=O)O)N CUR-0014574 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C(C(=O)O)N CUR-0101231 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C(C(=O)O)O CUR-0014667 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C(C(=O)O)S CUR-0101545 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C=C(C#N)Cl CUR-0000372 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 C=CC(=O)Cl CUR-0101542 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 C=CC(=O)N CUR-0007166 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 C=CC(=O)O CUR-0028045 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CC(=C)C=O CUR-0101443 [1,0,0,0,0,0|0,0,0]=1 42 B4R0.1 CC(=C)CCl CUR-0011941 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CC(=C)OC CUR-0101450 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CC(=O)C=C CUR-0013098 [1,0,0,0,0,0|0,0,1]=2 45 B4R0.1 CC(=O)C=O CUR-0101448 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 CC(=O)CCl CUR-0002239 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CC(=O)CO CUR-0005016 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 CC(C)C#N CUR-0009528 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 CC(C)C=O CUR-0017872 [1,0,0,0,0,0|0,0,1]=2 50 B4R0.1 CC(C)CBr CUR-0024115 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 CC(C)CI CUR-0028804 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 CC(C)CN CUR-0020747 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 CC(C)CO CUR-0012302 [1,0,0,0,0,0|0,0,3]=4 54 B4R0.1 CC(C)NN CUR-0014509 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CCC(=O)Cl CUR-0101547 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 CCC(=O)N CUR-0101453 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 CCC(=O)O CUR-0010221 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 CCC(C)Br CUR-0102085 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.1 CCC(C)I CUR-0055396 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.1 CCC(C)N CUR-0001789 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.1 CCN(C)C CUR-0101456 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 CN(C)C#N CUR-0101445 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 CNC(=O)N CUR-0025342 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 CNC(=S)N CUR-0004136 [1,0,0,0,0,0|2,1,0]=4 66 B4R0.1 COC(=N)N CUR-0101458 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 COC(=O)Cl CUR-0019109 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 CSC(=N)N CUR-0104011 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 C\C(=N\O)\N CUR-0098903 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 CC=CC#N CUR-0028876 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.2 CCCC=O CUR-0100896 [1,0,0,0,0,0|0,0,2]=3 72 B4R0.2 CCN=C=O CUR-0101447 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.2 CCOC=C CUR-0100764 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 CCOC=O CUR-0010493 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 C\C=C\C#N CUR-0101432 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.2 C\C=C\C=O CUR-0001472 [1,0,0,0,0,0|0,0,0]=1 77 B6R0.1 CCCC(C)C=O CUR-0101597 [0,1,0,0,0,0|0,0,2]=3 78 B6R0.1 CCOC(=O)C=C CUR-0027721 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.1 CCOC(=O)C=O CUR-0101612 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.3 CC(=C)C(=O)OC CUR-0012718 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.3 CC(=O)C(=O)OC CUR-0100866 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.3 CCC(C(=O)O)N CUR-0010659 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.3 CCC(C)C(=O)O CUR-0101619 [0,1,0,0,0,0|0,0,2]=3 87 B6R0.3 C\C(=N\O)\C(=O)C CUR-0101601 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.9 CCC(CC)C=O CUR-0009845 [0,1,0,0,0,0|0,0,2]=3 89 B6R0.9 COC(C=C)OC CUR-0011769 [0,1,0,0,0,0|2,0,1]=4 90 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.2 Cc1cc[nH]n1 CUR-0101477 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.2 Cc1ccco1 CUR-0026171 [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 Cc1cccs1 CUR-0101571 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.2 Cc1ccno1 CUR-0100786 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.2 Cc1ccsc1 CUR-0006917 [0,0,0,1,0,0|0,1,1]=3 96 B6R1.2 Cc1cscn1 CUR-0101579 [0,0,0,1,0,0|1,1,1]=4 97 B6R1.2 Cn1cccc1 CUR-0101475 [0,0,0,1,0,0|2,0,1]=4 98 B6R1.2 Cn1ccnc1 CUR-0022901 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 c1c(cn[nH]1)Br CUR-0028319 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.2 c1c(cn[nH]1)N CUR-0003042 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.2 c1c(con1)N CUR-0100627 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.2 c1cocc1Br CUR-0102292 [0,0,0,1,0,0|1,0,2]=4 103 B6R1.2 c1cscc1Br CUR-0102678 [0,0,0,1,0,0|1,1,1]=4 104 B6R1.2 c1cscc1F CUR-0098914 [0,0,0,1,0,0|1,1,1]=4 105 B6R1.2 c1cscc1N CUR-0103243 [0,0,0,1,0,0|1,1,1]=4 106 B3R0.1 C(=O)C=O CUR-0024623 [2,0,0,0,0,0|1,0,0]=3 107 B3R0.1 C(=O)NN CUR-0101193 [2,0,0,0,0,0|2,0,0]=4 108 B3R0.1 C(C=O)Cl CUR-0018990 [2,0,0,0,0,0|1,0,1]=4 109 B3R0.1 C=CC#N CUR-0023863 [2,0,0,0,0,0|1,0,1]=4 110 B3R0.1 C=CCBr CUR-0014802 [2,0,0,0,0,0|1,0,1]=4 111 B3R0.1 C=CCCl CUR-0002102 [2,0,0,0,0,0|1,0,1]=4 112 B3R0.1 C=CCI CUR-0024817 [2,0,0,0,0,0|1,0,1]=4 113 B3R0.1 C=CCN CUR-0009493 [2,0,0,0,0,0|1,0,1]=4 114 B3R0.1 C=CCO CUR-0101427 [2,0,0,0,0,0|0,0,2]=4 115 B3R0.1 CCC=O CUR-0015273 [2,0,0,0,0,0|0,0,1]=3 116 B3R0.1 CNC=O CUR-0012781 [2,0,0,0,0,0|1,0,0]=3 117 B3R0.1 CNOC CUR-0015640 [2,0,0,0,0,0|2,0,0]=4 118 B3R0.1 CSSC CUR-0101553 [2,0,0,0,0,0|2,0,0]=4 119 B3R0.2 C(=O)(N)N CUR-0004435 [2,0,0,0,0,0|2,0,0]=4 120 B3R0.2 CC(=N)N CUR-0023632 [2,0,0,0,0,0|2,0,0]=4 121 B3R0.2 CC(=O)Br CUR-0004133 [2,0,0,0,0,0|1,0,0]=3 122 B3R0.2 CC(=O)Cl CUR-0019985 [2,0,0,0,0,0|1,0,0]=3 123 B3R0.2 CC(=O)N CUR-0016336 [2,0,0,0,0,0|1,0,0]=3 124 B3R0.2 CC(=O)O CUR-0005925 [2,0,0,0,0,0|1,0,0]=3 125 B3R0.2 CC(=S)N CUR-0008655 [2,0,0,0,0,0|1,1,0]=4 126 B3R0.2 CC(C)Br CUR-0027321 [2,0,0,0,0,0|1,0,1]=4 127 B3R0.2 CC(C)Cl CUR-0022523 [2,0,0,0,0,0|1,0,1]=4 128 B3R0.2 CC(C)I CUR-0026227 [2,0,0,0,0,0|1,0,1]=4 129 B3R0.2 CC(C)N CUR-0024558 [2,0,0,0,0,0|1,0,1]=4 130 B3R0.2 CC(C)S CUR-0012379 [2,0,0,0,0,0|0,1,1]=4 131 B3R0.2 CN(C)C CUR-0004768 [2,0,0,0,0,0|1,0,1]=4 132 B3R0.2 CP(C)C CUR-0006076 [2,0,0,0,0,0|1,0,1]=4 133 B3R0.2 C[N+](=O)[O-] CUR-0016305 [2,0,0,0,0,0|2,0,0]=4 134 B3R0.2 C[S+](C)C CUR-0103505 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 C(CBr)C(=O)O CUR-0102453 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.1 C(CCl)C(=O)O CUR-0008480 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.1 C(CN)C(=O)O CUR-0006907 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.1 C(CS)C(=O)O CUR-0101651 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.1 CC(=CCBr)C CUR-0059675 [1,1,0,0,0,0|0,0,1]=3 142 B5R0.1 CC(=CCCl)C CUR-0022594 [1,1,0,0,0,0|0,0,1]=3 143 B5R0.1 CC(=O)COC CUR-0101516 [1,1,0,0,0,0|0,0,1]=3 144 B5R0.1 CC(=O)OC=C CUR-0001318 [1,1,0,0,0,0|0,0,1]=3 145 B5R0.1 CC(C)CC=O CUR-0101502 [1,1,0,0,0,0|0,0,1]=3 146 B5R0.1 CC(C)N=C=O CUR-0101492 [1,1,0,0,0,0|0,0,2]=4 147 B5R0.1 CCCC(=O)C CUR-0026599 [1,1,0,0,0,0|0,0,1]=3 148 B5R0.1 CCCC(=O)Cl CUR-0020308 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 CCCC(=O)O CUR-0020198 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.1 CCOC(=O)C CUR-0101519 [1,1,0,0,0,0|0,0,1]=3 151 B5R0.1 CCOC(=O)Cl CUR-0026181 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.1 CCOC(=O)N CUR-0100824 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.1 CNCC(=O)O CUR-0018005 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.1 COCC(=O)Cl CUR-0101665 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 COCC(=O)O CUR-0014449 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 CSCC(=O)O CUR-0025987 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.1 C\C(=C\C#N)\N CUR-0009988 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.1 C\C=C\C(=O)O CUR-0100765 [1,1,0,0,0,0|1,0,0]=3 159 B5R0.4 CC(C)(C)C=O CUR-0101501 [1,1,0,0,0,0|0,0,1]=3 160 B5R0.4 CS(=O)(=O)C=C CUR-0003882 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.5 C(=O)(C(=O)Cl)Cl CUR-0022479 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.5 C(=O)(C(=O)N)N CUR-0013129 [1,1,0,0,0,0|2,0,0]=4 163 B5R0.5 C(=O)(C(=O)O)O CUR-0022161 [1,1,0,0,0,0|2,0,0]=4 164 B5R0.5 C(=O)(C(=O)O)O CUR-0100644 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.5 CC(=O)C(=O)C CUR-0014415 [1,1,0,0,0,0|0,0,0]=2 166 B5R0.5 CC(=O)C(=O)O CUR-0101513 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.5 CC(=O)N(C)C CUR-0015735 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [1,1,0,0,0,0|1,0,1]=4 169 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [1,1,0,0,0,0|0,0,1]=3 170 B5R0.5 CC(C(=O)C)O CUR-0101517 [1,1,0,0,0,0|0,0,1]=3 171 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.5 CC(C(=O)O)N CUR-0005753 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.5 CC(C(=O)O)O CUR-0100772 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.5 CC(C(=O)O)S CUR-0001712 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.5 CC(C)C(=N)N CUR-0101000 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.5 CC(C)C(=O)C CUR-0101503 [1,1,0,0,0,0|0,0,1]=3 178 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [1,1,0,0,0,0|0,0,1]=3 179 B5R0.5 CC(C)C(=O)O CUR-0023620 [1,1,0,0,0,0|0,0,1]=3 180 B5R0.5 CC(C)[N+](=O)[O-] CUR-0001597 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.5 CN(C)C(=N)N CUR-0100903 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [1,1,0,0,0,0|1,0,0]=3 183 B5R0.5 CN(C)C(=S)Cl CUR-0101854 [1,1,0,0,0,0|1,1,0]=4 184 B5R0.5 CN(C)C(=S)N CUR-0099857 [1,1,0,0,0,0|1,1,0]=4 185 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.2 C(C=CCO)O CUR-0100969 [1,1,0,0,0,0|0,0,2]=4 188 B5R0.2 C(\C=C/CO)O CUR-0101515 [1,1,0,0,0,0|0,0,2]=4 189 B5R0.2 CCCCC=O CUR-0020580 [1,1,0,0,0,0|0,0,2]=4 190 B5R0.2 CCO\C=C\C CUR-0101289 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.2 CC\C=C/C#N CUR-0101476 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.2 CC\C=C/CO CUR-0101504 [1,1,0,0,0,0|0,0,2]=4 193 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [0,2,0,0,0,0|0,0,2]=4 195 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.5 CCOC(=O)C(=O)Cl CUR-0102081 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.5 CCOC(=O)C(=O)N CUR-0013418 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.10 COC(=O)C(=O)OC CUR-0027911 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.10 C\C(=N/O)\C(=N/O)\C CUR-0002444 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.15 CC(=O)C(OC)OC CUR-0009018 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.15 CCC(CC)C(=O)O CUR-0101754 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.16 C(=O)(C(=O)O)C(=O)O CUR-0028231 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,2,0,0,0,0|0,0,1]=3 205 B5R1.2 C1CC(=O)C1 CUR-0005686 [1,0,0,1,0,0|0,0,1]=3 206 B5R1.3 C1CC1C=O CUR-0016286 [1,0,0,1,0,0|0,0,1]=3 207 B5R1.1 C1C=CCO1 CUR-0017724 [1,0,0,1,0,0|0,0,2]=4 208 B5R1.1 C1COC=C1 CUR-0023942 [1,0,0,1,0,0|0,0,2]=4 209 B5R1.1 c1c[nH]nc1 CUR-0027742 [1,0,0,1,0,0|2,0,0]=4 210 B5R1.1 c1cc[nH]c1 CUR-0101433 [1,0,0,1,0,0|1,0,1]=4 211 B5R1.1 c1ccoc1 CUR-0017577 [1,0,0,1,0,0|0,0,2]=4 212 B5R1.1 c1ccsc1 CUR-0023526 [1,0,0,1,0,0|0,1,1]=4 213 B5R1.1 c1cnoc1 CUR-0101437 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.1 C1CCN(C1)C=O CUR-0050422 [0,1,0,1,0,0|1,0,1]=4 215 B7R1.1 C1COCC1C=O CUR-0082585 [0,1,0,1,0,0|0,0,2]=4 216 B7R1.1 c1c(cn[nH]1)CN CUR-0019813 [0,1,0,1,0,0|2,0,0]=4 217 B7R1.1 c1c(con1)CN CUR-0100648 [0,1,0,1,0,0|1,0,1]=4 218 B7R1.1 c1c(nc[nH]1)C=O CUR-0101560 [0,1,0,1,0,0|1,0,1]=4 219 B7R1.1 c1cc([nH]c1)C=O CUR-0101556 [0,1,0,1,0,0|0,0,2]=4 220 B7R1.1 c1cc(oc1)C=O CUR-0027369 [0,1,0,1,0,0|0,0,2]=4 221 B7R1.1 c1cc(sc1)C=O CUR-0025426 [0,1,0,1,0,0|0,0,2]=4 222 B7R1.1 c1cnc([nH]1)C=O CUR-0002735 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.1 c1cocc1C=O CUR-0101559 [0,1,0,1,0,0|0,0,2]=4 224 B7R1.1 c1cscc1C=O CUR-0026809 [0,1,0,1,0,0|0,0,2]=4 225 B7R1.1 c1cscc1CO CUR-0029172 [0,1,0,1,0,0|0,1,1]=4 226 B7R1.2 C1=CC(=O)NC1=O CUR-0011255 [0,1,0,1,0,0|1,0,1]=4 227 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [0,1,0,1,0,0|1,0,1]=4 228 B7R1.2 C1C(=O)CNC1=O CUR-0122247 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.2 C1C(=O)COC1=O CUR-0100913 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.2 C1C(=O)NC(=O)N1 CUR-0101582 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.2 C1C(=O)NC(=S)S1 CUR-0102016 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.2 C1CC(=O)NC1=O CUR-0005450 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.2 C1CC(=O)OC1=O CUR-0017714 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [0,1,0,1,0,0|0,0,2]=4 236 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [0,1,0,1,0,0|0,0,2]=4 237 B7R1.2 Cc1cc(=O)[nH][nH]1 CUR-0101081 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.2 Cc1cc(n[nH]1)C CUR-0012171 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.2 Cc1cc(on1)C CUR-0101566 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.2 Cc1ccc(o1)C CUR-0101561 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.2 Cc1ccc(s1)C CUR-0012643 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.2 Cc1cnc(s1)N CUR-0101725 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.2 Cc1coc(n1)N CUR-0010957 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.2 Cc1csc(n1)Br CUR-0099044 [0,1,0,1,0,0|1,1,0]=4 245 B7R1.2 Cc1csc(n1)N CUR-0099540 [0,1,0,1,0,0|1,1,0]=4 246 B7R1.2 Cc1csc(n1)S CUR-0101982 [0,1,0,1,0,0|1,1,0]=4 247 B7R1.2 Cn1cc(cn1)I CUR-0001879 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.2 Cn1cc(cn1)N CUR-0010797 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.2 Cn1cc(cn1)N CUR-0100632 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.2 Cn1cc(cn1)O CUR-0006197 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.3 Cc1ccccn1 CUR-0005465 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.3 Cc1cccnc1 CUR-0100815 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.3 Cc1ccncc1 CUR-0027079 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.3 Cc1cnccn1 CUR-0100916 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.4 C1CC(=O)C(=O)C1 CUR-0061064 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.4 CN1CCCC1=O CUR-0101576 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.4 Cc1c(c[nH]n1)Br CUR-0100170 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.4 Cc1nccn1C CUR-0101394 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.12 CC1CC1C(=O)O CUR-0100917 [0,1,0,1,0,0|0,0,2]=4 260 B7R1.18 C1CC(C1)C(=O)Cl CUR-0016394 [0,1,0,1,0,0|0,0,2]=4 261 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [0,1,0,1,0,0|0,0,2]=4 262 B7R1.18 C1CNC1C(=O)O CUR-0081896 [0,1,0,1,0,0|1,0,1]=4