0 B6R0.3 CC(=C)C(=O)OC CUR-0012718 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.3 CC(=O)C(=O)OC CUR-0100866 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 CC(C(=O)OC)Br CUR-0102802 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 CC(C)C(=N)OC CUR-0101310 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CN(C)C(=O)C#C CUR-0066918 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CN(C)C(=O)NN CUR-0100988 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 COC(=O)C(Cl)Cl CUR-0010880 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 C\C(=N\O)\C(=O)C CUR-0101601 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 CC(=CCBr)C CUR-0059675 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(=CCCl)C CUR-0022594 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(=O)COC CUR-0101516 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.1 CC(COC)N CUR-0101532 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CCCC(=O)C CUR-0026599 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCOC(=O)C CUR-0101519 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 COCC(=O)Cl CUR-0101665 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 COCC(=O)O CUR-0014449 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C\C(=C\C#N)\N CUR-0009988 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 C\C=C\C(=O)O CUR-0100765 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.3 CCC(=O)CC CUR-0101500 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.3 CNC(=O)C#C CUR-0016542 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.3 CNC(=O)CCl CUR-0099536 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CNC(=O)NC CUR-0101521 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.3 CNC(=S)NC CUR-0101643 [1,0,0,0,0,0|2,1,0]=4 23 B5R0.3 COC(=N)CCl CUR-0101034 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 COC(=O)C#C CUR-0008050 [1,0,0,0,0,0|0,0,2]=3 25 B5R0.3 COC(=O)C=C CUR-0018588 [1,0,0,0,0,0|0,0,0]=1 26 B5R0.3 COC(=O)CBr CUR-0102451 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.3 COC(=O)CCl CUR-0019510 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.3 COC(=O)CN CUR-0016914 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.3 COC(=O)CO CUR-0101535 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.3 COC(=O)CS CUR-0014981 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.3 COC(=O)NN CUR-0100906 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 COC(=O)OC CUR-0101536 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.3 COP(=O)OC CUR-0016444 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.5 C(=O)(C(=O)Cl)Cl CUR-0022479 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.5 C(=O)(C(=O)N)N CUR-0013129 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.5 C(=O)(C(=O)O)O CUR-0022161 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.5 C(=O)(C(=O)O)O CUR-0100644 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.5 C(C(=O)O)(Cl)Cl CUR-0017246 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.5 CC(=O)C(=O)C CUR-0014415 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.5 CC(=O)C(=O)O CUR-0101513 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.5 CC(=O)N(C)C CUR-0015735 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.5 CC(C(=O)C)O CUR-0101517 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.5 CC(C(=O)O)N CUR-0005753 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.5 CC(C(=O)O)O CUR-0100772 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.5 CC(C(=O)O)S CUR-0001712 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.5 CC(C)C(=O)C CUR-0101503 [1,0,0,0,0,0|0,0,2]=3 51 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.5 CC(C)C(=O)O CUR-0023620 [1,0,0,0,0,0|0,0,2]=3 53 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [1,0,0,0,0,0|1,0,1]=3 56 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.5 CCOC(=O)C(=O)Cl CUR-0102081 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.5 CCOC(=O)C(=O)N CUR-0013418 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.5 CCOC(=O)C(=S)N CUR-0029192 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.5 CCOC(=O)C(C)Br CUR-0103087 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.5 CCOC(=O)C(F)F CUR-0007059 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.10 COC(=O)C(=O)OC CUR-0027911 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.10 COC(=O)C(CO)N CUR-0010591 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.14 COC(=O)C(Cl)(Cl)Cl CUR-0101027 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.15 CC(=O)C(OC)OC CUR-0009018 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.16 CN(C)C(=O)N(C)C CUR-0101761 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.4 C1CC(=O)C(=O)C1 CUR-0061064 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.4 C1CC(=O)N(C1)N CUR-0099031 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.4 C1CNC(=O)C1Br CUR-0004832 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.4 C1COC(=O)C1Br CUR-0012154 [0,0,0,1,0,0|1,0,1]=3 71 B7R1.4 C1CSC(=O)C1N CUR-0025625 [0,0,0,1,0,0|1,1,1]=4 72 B7R1.4 CN1CCCC1=O CUR-0101576 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.22 COC(=O)C1CC1 CUR-0101589 [0,0,0,1,0,0|0,0,2]=3 74 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [0,0,0,0,0,1|1,0,0]=2 75 B4R0.1 C#CC(=O)O CUR-0101441 [2,0,0,0,0,0|0,0,2]=4 76 B4R0.1 C(=O)C(=O)O CUR-0021308 [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 C(C(=O)O)Br CUR-0100788 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.1 C(C(=O)O)Cl CUR-0003311 [2,0,0,0,0,0|1,0,1]=4 79 B4R0.1 C(C(=O)O)I CUR-0003176 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 C(C(=O)O)N CUR-0014574 [2,0,0,0,0,0|1,0,1]=4 81 B4R0.1 C(C(=O)O)N CUR-0101231 [2,0,0,0,0,0|1,0,1]=4 82 B4R0.1 C(C(=O)O)O CUR-0014667 [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 C(C(=O)O)S CUR-0101545 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.1 C=CC(=O)Cl CUR-0101542 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 C=CC(=O)N CUR-0007166 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 C=CC(=O)O CUR-0028045 [2,0,0,0,0,0|0,0,0]=2 87 B4R0.1 CC(=C)C=O CUR-0101443 [2,0,0,0,0,0|0,0,0]=2 88 B4R0.1 CC(=C)CCl CUR-0011941 [2,0,0,0,0,0|1,0,1]=4 89 B4R0.1 CC(=C)OC CUR-0101450 [2,0,0,0,0,0|0,0,0]=2 90 B4R0.1 CC(=O)C=C CUR-0013098 [2,0,0,0,0,0|0,0,0]=2 91 B4R0.1 CC(=O)C=O CUR-0101448 [2,0,0,0,0,0|1,0,0]=3 92 B4R0.1 CC(=O)CCl CUR-0002239 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.1 CC(=O)CO CUR-0005016 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.1 CC(C)C=O CUR-0017872 [2,0,0,0,0,0|0,0,2]=4 95 B4R0.1 CCC(=O)Cl CUR-0101547 [2,0,0,0,0,0|1,0,1]=4 96 B4R0.1 CCC(=O)N CUR-0101453 [2,0,0,0,0,0|1,0,1]=4 97 B4R0.1 CCC(=O)O CUR-0010221 [2,0,0,0,0,0|0,0,1]=3 98 B4R0.1 CNC(=O)N CUR-0025342 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 COC(=N)N CUR-0101458 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 COC(=O)Cl CUR-0019109 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 C\C(=N\O)\N CUR-0098903 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.2 CC=CC#N CUR-0028876 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.2 CCOC=C CUR-0100764 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.2 COCOC CUR-0101465 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.2 C\C=C\C#N CUR-0101432 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.2 C\C=C\C=O CUR-0001472 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.1 COCC(=O)OC CUR-0101636 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.8 COP(=O)(C)OC CUR-0009223 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.8 COS(=O)(=O)OC CUR-0007713 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.9 COC(C=C)OC CUR-0011769 [1,1,0,0,0,0|0,0,2]=4 112 B6R0.7 CC(=O)C(C)(C)C CUR-0101594 [1,1,0,0,0,0|0,0,2]=4 113 B6R0.7 CC(C)(C(=O)O)N CUR-0019881 [1,1,0,0,0,0|0,0,2]=4 114 B6R0.7 CC(C)(C)C(=O)O CUR-0000758 [1,1,0,0,0,0|0,0,2]=4 115 B8R0.5 CCOC(=O)C=C(C)C CUR-0057497 [0,1,0,0,0,1|0,0,1]=3 116 B8R0.5 CCOC(=O)CC(=O)C CUR-0003002 [0,1,0,0,0,1|1,0,0]=3 117 B8R0.5 CCOC(=O)CC(=O)O CUR-0100749 [0,1,0,0,0,1|2,0,0]=4 118 B8R0.5 CCOC(=O)CC(=O)[O-] CUR-0102852 [0,1,0,0,0,1|2,0,0]=4 119 B8R0.5 CCOC(=O)CC(C)C CUR-0101017 [0,1,0,0,0,1|0,0,2]=4 120 B8R0.5 CCOC(=O)CC(C)N CUR-0017477 [0,1,0,0,0,1|1,0,1]=4 121 B8R0.5 CCOC(=O)C[S+](C)C CUR-0022340 [0,1,0,0,0,1|1,0,1]=4 122 B8R0.5 CCOC(=O)\C=C(/C)\N CUR-0101944 [0,1,0,0,0,1|1,0,0]=3 123 B8R0.5 CCOC(=O)\C=C(\C)/[O-] CUR-0102419 [0,1,0,0,0,1|1,0,0]=3 124 B8R0.19 CCC(=O)CC(=O)OC CUR-0009634 [0,1,0,0,0,1|1,0,0]=3 125 B8R0.19 CCC(=O)OC(=O)CC CUR-0101961 [0,1,0,0,0,1|2,0,0]=4 126 B8R0.19 COC(=N)CC(=N)OC CUR-0101035 [0,1,0,0,0,1|2,0,0]=4 127 B8R0.19 COC(=O)CC(=O)CCl CUR-0006240 [0,1,0,0,0,1|1,0,0]=3 128 B8R0.19 COC(=O)CC(=O)OC CUR-0100775 [0,1,0,0,0,1|1,0,0]=3 129 B8R0.23 CC(=O)CC(=O)N(C)C CUR-0006335 [0,1,0,0,0,1|2,0,0]=4 130 B8R0.3 CCC(C(=O)OCC)Br CUR-0103357 [0,2,0,0,0,0|1,0,1]=4 131 B8R0.3 CCOC(=O)C(=O)CBr CUR-0010421 [0,2,0,0,0,0|1,0,0]=3 132 B8R0.3 CCOC(=O)C(=O)NC CUR-0033950 [0,2,0,0,0,0|1,0,0]=3 133 B8R0.3 CCOC(=O)C(CBr)Br CUR-0103955 [0,2,0,0,0,0|1,0,1]=4 134 B8R0.14 CC(C)(C)C(=O)OCCl CUR-0102386 [0,2,0,0,0,0|0,0,2]=4 135 B8R0.14 CCOC(=O)C(C)(C)Br CUR-0103356 [0,2,0,0,0,0|0,0,2]=4 136 B8R0.13 CCC(C)(C)C(=O)OC CUR-0163339 [0,2,0,0,0,0|0,0,2]=4 137 B8R0.20 COC(=O)\C(=N\O)\C#N CUR-0101355 [0,2,0,0,0,0|1,0,1]=4 138 B8R0.20 COC(C(=O)OC)OC CUR-0102026 [0,2,0,0,0,0|0,0,2]=4 139 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [1,0,0,1,0,0|2,0,0]=4 140 B6R1.2 Cc1ccsc1 CUR-0006917 [1,0,0,1,0,0|0,1,1]=4 141 B6R1.2 c1c(con1)N CUR-0100627 [1,0,0,1,0,0|2,0,0]=4 142 B6R1.2 c1cocc1Br CUR-0102292 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.1 CCc1ccc(s1)C CUR-0101897 [0,0,0,1,0,1|2,0,0]=4 144 B8R1.4 C1CC(=O)CC(=O)C1 CUR-0019886 [0,0,0,1,0,1|2,0,0]=4 145 B8R1.4 C1CC(=O)OC(=O)C1 CUR-0009916 [0,0,0,1,0,1|2,0,0]=4 146 B8R1.4 Cc1cc[nH]c(=O)c1 CUR-0008898 [0,0,0,1,0,1|1,0,1]=4 147 B8R1.18 CC1=CC(=O)OC1=O CUR-0008099 [0,0,0,1,0,1|2,0,0]=4 148 B8R1.18 CN1CC(=O)CC1=O CUR-0055835 [0,0,0,1,0,1|2,0,0]=4 149 B8R1.5 C1CC(C(=O)OC1)Br CUR-0008409 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.5 Cc1cnc[nH]c1=O CUR-0099608 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.11 C=CN1CCCC1=O CUR-0026598 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.11 Cc1c(cno1)CCl CUR-0004705 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.11 Cc1c(cno1)CN CUR-0023312 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.11 Cc1c(cno1)CN CUR-0153018 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.11 Cc1ccsc1C=O CUR-0101892 [0,1,0,1,0,0|0,1,1]=4 156 B8R0.9 COC(=O)CCC(=O)Cl CUR-0001082 [0,0,0,0,0,2|2,0,0]=4 157 B8R0.9 COC(=O)CCC(=O)O CUR-0027389 [0,0,0,0,0,2|2,0,0]=4