0 B4R1.2 C1CC1Br CUR-0101807 [0,0,0,0,0,0|2,0,0]=2 1 B4R1.2 C1CC1N CUR-0000296 [0,0,0,0,0,0|2,0,0]=2 2 B4R1.2 CC1CO1 CUR-0006075 [0,0,0,0,0,0|0,0,0]=0 3 B5R1.3 C1C(O1)CCl CUR-0004573 [0,1,0,0,0,0|0,0,0]=1 4 B5R1.3 C1C(O1)CO CUR-0011597 [0,1,0,0,0,0|0,0,0]=1 5 B5R1.3 C1CC1C#N CUR-0028789 [0,1,0,0,0,0|1,0,1]=3 6 B5R1.3 C1CC1C=O CUR-0016286 [0,1,0,0,0,0|1,0,1]=3 7 B5R1.3 C1CC1CBr CUR-0015213 [0,1,0,0,0,0|1,0,0]=2 8 B5R1.3 C1CC1CN CUR-0019694 [0,1,0,0,0,0|1,0,0]=2 9 B5R1.3 C1CC1CO CUR-0016442 [0,1,0,0,0,0|1,0,0]=2 10 B3R0.1 C#CCBr CUR-0002725 [0,0,1,0,0,0|1,0,2]=4 11 B3R0.1 C#CCN CUR-0101424 [0,0,1,0,0,0|1,0,2]=4 12 B3R0.1 C#CCO CUR-0007009 [0,0,1,0,0,0|0,0,2]=3 13 B3R0.1 C(C#N)Br CUR-0100898 [0,0,1,0,0,0|2,0,1]=4 14 B3R0.1 C(C#N)Cl CUR-0018708 [0,0,1,0,0,0|2,0,1]=4 15 B3R0.1 C(C#N)N CUR-0101408 [0,0,1,0,0,0|2,0,1]=4 16 B3R0.1 C(C=O)Cl CUR-0018990 [0,0,1,0,0,0|1,0,2]=4 17 B3R0.1 C(CBr)Br CUR-0000806 [0,0,1,0,0,0|2,0,0]=3 18 B3R0.1 C(CBr)Cl CUR-0006161 [0,0,1,0,0,0|2,0,0]=3 19 B3R0.1 C(CBr)N CUR-0103516 [0,0,1,0,0,0|2,0,0]=3 20 B3R0.1 C(CBr)O CUR-0021042 [0,0,1,0,0,0|1,0,0]=2 21 B3R0.1 C(CCl)N CUR-0015629 [0,0,1,0,0,0|2,0,0]=3 22 B3R0.1 C(CCl)O CUR-0101474 [0,0,1,0,0,0|1,0,0]=2 23 B3R0.1 C(CN)N CUR-0009355 [0,0,1,0,0,0|2,0,0]=3 24 B3R0.1 C(CN)N CUR-0101207 [0,0,1,0,0,0|2,0,0]=3 25 B3R0.1 C(CN)N CUR-0101271 [0,0,1,0,0,0|2,0,0]=3 26 B3R0.1 C(CO)N CUR-0010085 [0,0,1,0,0,0|1,0,0]=2 27 B3R0.1 C(CO)O CUR-0026540 [0,0,1,0,0,0|1,0,0]=2 28 B3R0.1 C(CS)N CUR-0000633 [0,0,1,0,0,0|1,1,0]=3 29 B3R0.1 C(CS)N CUR-0101235 [0,0,1,0,0,0|1,1,0]=3 30 B3R0.1 C(CS)O CUR-0013730 [0,0,1,0,0,0|1,0,0]=2 31 B3R0.1 C=CCBr CUR-0014802 [0,0,1,0,0,0|1,0,2]=4 32 B3R0.1 C=CCCl CUR-0002102 [0,0,1,0,0,0|1,0,2]=4 33 B3R0.1 C=CCI CUR-0024817 [0,0,1,0,0,0|1,0,2]=4 34 B3R0.1 C=CCN CUR-0009493 [0,0,1,0,0,0|1,0,2]=4 35 B3R0.1 C=CCO CUR-0101427 [0,0,1,0,0,0|0,0,2]=3 36 B3R0.1 CCC#N CUR-0100813 [0,0,1,0,0,0|1,0,1]=3 37 B3R0.1 CCC=O CUR-0015273 [0,0,1,0,0,0|0,0,2]=3 38 B3R0.1 CCCBr CUR-0028377 [0,0,1,0,0,0|1,0,0]=2 39 B3R0.1 CCCI CUR-0010202 [0,0,1,0,0,0|1,0,0]=2 40 B3R0.1 CCCN CUR-0000120 [0,0,1,0,0,0|1,0,0]=2 41 B3R0.1 CCCO CUR-0017382 [0,0,1,0,0,0|0,0,0]=1 42 B3R0.1 CCCS CUR-0009615 [0,0,1,0,0,0|0,1,0]=2 43 B3R0.1 CCNN CUR-0017500 [0,0,1,0,0,0|2,0,0]=3 44 B3R0.1 CN=C=S CUR-0012135 [0,0,1,0,0,0|1,1,1]=4 45 B3R0.1 CNC=O CUR-0012781 [0,0,1,0,0,0|1,0,2]=4 46 B3R0.1 CNOC CUR-0015640 [0,0,1,0,0,0|1,0,0]=2 47 B3R0.1 COCCl CUR-0028317 [0,0,1,0,0,0|1,0,0]=2 48 B3R0.1 CSSC CUR-0101553 [0,0,1,0,0,0|1,1,0]=3 49 B3R0.2 C(Br)(Br)Br CUR-0023191 [0,0,1,0,0,0|3,0,0]=4 50 B3R0.2 C(Cl)(Cl)Cl CUR-0101795 [0,0,1,0,0,0|3,0,0]=4 51 B3R0.2 CC(=N)N CUR-0023632 [0,0,1,0,0,0|2,0,1]=4 52 B3R0.2 CC(=O)Br CUR-0004133 [0,0,1,0,0,0|1,0,2]=4 53 B3R0.2 CC(=O)Cl CUR-0019985 [0,0,1,0,0,0|1,0,2]=4 54 B3R0.2 CC(=O)N CUR-0016336 [0,0,1,0,0,0|1,0,2]=4 55 B3R0.2 CC(=O)O CUR-0005925 [0,0,1,0,0,0|1,0,1]=3 56 B3R0.2 CC(=S)N CUR-0008655 [0,0,1,0,0,0|1,1,1]=4 57 B3R0.2 CC(C)Br CUR-0027321 [0,0,1,0,0,0|1,0,0]=2 58 B3R0.2 CC(C)Cl CUR-0022523 [0,0,1,0,0,0|1,0,0]=2 59 B3R0.2 CC(C)I CUR-0026227 [0,0,1,0,0,0|1,0,0]=2 60 B3R0.2 CC(C)N CUR-0024558 [0,0,1,0,0,0|1,0,0]=2 61 B3R0.2 CC(C)S CUR-0012379 [0,0,1,0,0,0|0,1,0]=2 62 B3R0.2 CN(C)C CUR-0004768 [0,0,1,0,0,0|2,0,0]=3 63 B3R0.2 CP(C)C CUR-0006076 [0,0,1,0,0,0|2,0,0]=3 64 B3R0.2 C[N+](=O)[O-] CUR-0016305 [0,0,1,0,0,0|2,0,1]=4 65 B3R0.2 C[S+](C)C CUR-0103505 [0,0,1,0,0,0|2,0,0]=3 66 B5R1.2 C1C(CN1)O CUR-0015234 [0,0,0,0,0,1|2,0,0]=3 67 B5R1.2 C1C(CO1)O CUR-0028981 [0,0,0,0,0,1|1,0,0]=2 68 B5R1.2 C1CC(=O)C1 CUR-0005686 [0,0,0,0,0,1|2,0,1]=4 69 B5R1.2 C1CC(C1)Br CUR-0102047 [0,0,0,0,0,1|2,0,0]=3 70 B5R1.2 C1CC(C1)O CUR-0029256 [0,0,0,0,0,1|2,0,0]=3 71 B2R0.1 C(=O)O CUR-0018439 [1,0,1,0,0,0|1,0,1]=4 72 B2R0.1 C(Br)Br CUR-0005423 [1,0,1,0,0,0|2,0,0]=4 73 B2R0.1 C(I)I CUR-0100965 [1,0,1,0,0,0|2,0,0]=4 74 B2R0.1 CC=O CUR-0008743 [1,0,1,0,0,0|0,0,2]=4 75 B2R0.1 CCBr CUR-0012119 [1,0,1,0,0,0|1,0,0]=3 76 B2R0.1 CCI CUR-0000443 [1,0,1,0,0,0|1,0,0]=3 77 B2R0.1 CCN CUR-0101229 [1,0,1,0,0,0|1,0,0]=3 78 B2R0.1 CCS CUR-0022672 [1,0,1,0,0,0|0,1,0]=3 79 B2R0.1 CNC CUR-0026541 [1,0,1,0,0,0|1,0,0]=3 80 B2R0.1 CNC CUR-0101266 [1,0,1,0,0,0|1,0,0]=3 81 B2R0.1 CNN CUR-0101255 [1,0,1,0,0,0|2,0,0]=4 82 B2R0.1 CON CUR-0007384 [1,0,1,0,0,0|1,0,0]=3 83 B4R0.1 C(C(=O)N)O CUR-0113957 [0,1,1,0,0,0|1,0,1]=4 84 B4R0.1 C(C(=O)O)Br CUR-0100788 [0,1,1,0,0,0|1,0,1]=4 85 B4R0.1 C(C(=O)O)Cl CUR-0003311 [0,1,1,0,0,0|1,0,1]=4 86 B4R0.1 C(C(=O)O)I CUR-0003176 [0,1,1,0,0,0|1,0,1]=4 87 B4R0.1 C(C(=O)O)N CUR-0014574 [0,1,1,0,0,0|1,0,1]=4 88 B4R0.1 C(C(=O)O)N CUR-0101231 [0,1,1,0,0,0|1,0,1]=4 89 B4R0.1 C(C(=O)O)O CUR-0014667 [0,1,1,0,0,0|1,0,1]=4 90 B4R0.1 C(C(=O)O)S CUR-0101545 [0,1,1,0,0,0|1,0,1]=4 91 B4R0.1 C(C(Cl)Cl)Cl CUR-0102022 [0,1,1,0,0,0|2,0,0]=4 92 B4R0.1 C(C(Cl)Cl)N CUR-0101208 [0,1,1,0,0,0|2,0,0]=4 93 B4R0.1 C(O)S(=O)[O-] CUR-0023303 [0,1,1,0,0,0|2,0,0]=4 94 B4R0.1 CC(=C)CCl CUR-0011941 [0,1,1,0,0,0|1,0,1]=4 95 B4R0.1 CC(=C)OC CUR-0101450 [0,1,1,0,0,0|0,0,1]=3 96 B4R0.1 CC(=O)CCl CUR-0002239 [0,1,1,0,0,0|1,0,1]=4 97 B4R0.1 CC(=O)CO CUR-0005016 [0,1,1,0,0,0|0,0,1]=3 98 B4R0.1 CC(C#C)N CUR-0083146 [0,1,1,0,0,0|1,0,1]=4 99 B4R0.1 CC(C#C)O CUR-0101444 [0,1,1,0,0,0|0,0,2]=4 100 B4R0.1 CC(C#N)Cl CUR-0101233 [0,1,1,0,0,0|1,0,1]=4 101 B4R0.1 CC(C)C#N CUR-0009528 [0,1,1,0,0,0|1,0,1]=4 102 B4R0.1 CC(C)C=O CUR-0017872 [0,1,1,0,0,0|0,0,2]=4 103 B4R0.1 CC(C)CBr CUR-0024115 [0,1,1,0,0,0|1,0,0]=3 104 B4R0.1 CC(C)CI CUR-0028804 [0,1,1,0,0,0|1,0,0]=3 105 B4R0.1 CC(C)CN CUR-0020747 [0,1,1,0,0,0|1,0,0]=3 106 B4R0.1 CC(C)CO CUR-0012302 [0,1,1,0,0,0|0,0,0]=2 107 B4R0.1 CC(C)NN CUR-0014509 [0,1,1,0,0,0|2,0,0]=4 108 B4R0.1 CC(CN)N CUR-0101461 [0,1,1,0,0,0|1,0,0]=3 109 B4R0.1 CC(CN)O CUR-0024952 [0,1,1,0,0,0|1,0,0]=3 110 B4R0.1 CC(CN)S CUR-0003165 [0,1,1,0,0,0|1,0,0]=3 111 B4R0.1 CC(CO)O CUR-0022593 [0,1,1,0,0,0|0,0,0]=2 112 B4R0.1 CC(CS)N CUR-0021165 [0,1,1,0,0,0|0,1,0]=3 113 B4R0.1 CCC(=O)Cl CUR-0101547 [0,1,1,0,0,0|0,0,2]=4 114 B4R0.1 CCC(=O)N CUR-0101453 [0,1,1,0,0,0|0,0,2]=4 115 B4R0.1 CCC(=O)O CUR-0010221 [0,1,1,0,0,0|0,0,1]=3 116 B4R0.1 CCC(C)Br CUR-0102085 [0,1,1,0,0,0|1,0,0]=3 117 B4R0.1 CCC(C)I CUR-0055396 [0,1,1,0,0,0|1,0,0]=3 118 B4R0.1 CCC(C)N CUR-0001789 [0,1,1,0,0,0|1,0,0]=3 119 B4R0.1 CCN(C)C CUR-0101456 [0,1,1,0,0,0|1,0,0]=3 120 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [0,1,1,0,0,0|1,0,1]=4 121 B4R0.1 COC(=N)N CUR-0101458 [0,1,1,0,0,0|1,0,1]=4 122 B4R0.1 COC(=O)Cl CUR-0019109 [0,1,1,0,0,0|1,0,1]=4 123 B4R0.1 COC(Cl)Cl CUR-0101733 [0,1,1,0,0,0|1,0,0]=3 124 B4R0.1 C\C(=N\O)\N CUR-0098903 [0,1,1,0,0,0|1,0,1]=4 125 B4R0.2 C#CCCN CUR-0100609 [0,1,1,0,0,0|1,0,1]=4 126 B4R0.2 C#CCCO CUR-0101442 [0,1,1,0,0,0|0,0,1]=3 127 B4R0.2 C(CBr)CBr CUR-0016721 [0,1,1,0,0,0|1,0,0]=3 128 B4R0.2 C(CCl)C#N CUR-0025838 [0,1,1,0,0,0|1,0,1]=4 129 B4R0.2 C(CCl)CBr CUR-0004377 [0,1,1,0,0,0|1,0,0]=3 130 B4R0.2 C(CN)CBr CUR-0103678 [0,1,1,0,0,0|1,0,0]=3 131 B4R0.2 C(CN)CCl CUR-0101958 [0,1,1,0,0,0|1,0,0]=3 132 B4R0.2 C(CN)CN CUR-0101462 [0,1,1,0,0,0|1,0,0]=3 133 B4R0.2 C(CN)CO CUR-0005687 [0,1,1,0,0,0|0,0,0]=2 134 B4R0.2 C(CO)C#N CUR-0000520 [0,1,1,0,0,0|0,0,1]=3 135 B4R0.2 C(CO)CCl CUR-0004180 [0,1,1,0,0,0|0,0,0]=2 136 B4R0.2 C(CO)CO CUR-0007262 [0,1,1,0,0,0|0,0,0]=2 137 B4R0.2 C(CO)NN CUR-0100819 [0,1,1,0,0,0|1,0,0]=3 138 B4R0.2 C(CS)CS CUR-0006323 [0,1,1,0,0,0|0,1,0]=3 139 B4R0.2 C=CCCBr CUR-0002027 [0,1,1,0,0,0|1,0,1]=4 140 B4R0.2 C=CCCI CUR-0000685 [0,1,1,0,0,0|1,0,1]=4 141 B4R0.2 C=CCCO CUR-0101449 [0,1,1,0,0,0|0,0,1]=3 142 B4R0.2 CC#CCBr CUR-0102000 [0,1,1,0,0,0|1,0,1]=4 143 B4R0.2 CCCC#N CUR-0101440 [0,1,1,0,0,0|1,0,0]=3 144 B4R0.2 CCCC=O CUR-0100896 [0,1,1,0,0,0|0,0,1]=3 145 B4R0.2 CCCCBr CUR-0023794 [0,1,1,0,0,0|1,0,0]=3 146 B4R0.2 CCCCCl CUR-0023945 [0,1,1,0,0,0|1,0,0]=3 147 B4R0.2 CCCCI CUR-0001021 [0,1,1,0,0,0|1,0,0]=3 148 B4R0.2 CCCCN CUR-0017800 [0,1,1,0,0,0|1,0,0]=3 149 B4R0.2 CCCCN CUR-0101317 [0,1,1,0,0,0|1,0,0]=3 150 B4R0.2 CCCCO CUR-0016718 [0,1,1,0,0,0|0,0,0]=2 151 B4R0.2 CCCNN CUR-0022831 [0,1,1,0,0,0|1,0,0]=3 152 B4R0.2 CCN=C=O CUR-0101447 [0,1,1,0,0,0|0,0,2]=4 153 B4R0.2 CCN=C=S CUR-0006416 [0,1,1,0,0,0|0,1,1]=4 154 B4R0.2 CCNCC CUR-0022731 [0,1,1,0,0,0|1,0,0]=3 155 B4R0.2 CCNCC CUR-0101285 [0,1,1,0,0,0|1,0,0]=3 156 B4R0.2 CCOC=C CUR-0100764 [0,1,1,0,0,0|0,0,1]=3 157 B4R0.2 CCOC=O CUR-0010493 [0,1,1,0,0,0|0,0,1]=3 158 B4R0.2 CNCCI CUR-0017490 [0,1,1,0,0,0|1,0,0]=3 159 B4R0.2 CNCCO CUR-0011813 [0,1,1,0,0,0|0,0,0]=2 160 B4R0.2 COCC#N CUR-0101446 [0,1,1,0,0,0|0,0,1]=3 161 B4R0.2 COCCBr CUR-0009505 [0,1,1,0,0,0|0,0,0]=2 162 B4R0.2 COCCCl CUR-0000941 [0,1,1,0,0,0|0,0,0]=2 163 B4R0.2 COCCN CUR-0012344 [0,1,1,0,0,0|0,0,0]=2 164 B4R0.2 COCCO CUR-0101466 [0,1,1,0,0,0|0,0,0]=2 165 B4R0.2 COCOC CUR-0101465 [0,1,1,0,0,0|0,0,0]=2 166 B4R0.2 CSCCN CUR-0101544 [0,1,1,0,0,0|0,1,0]=3 167 B4R0.3 CC(C)(C)Cl CUR-0025727 [0,1,1,0,0,0|1,0,0]=3 168 B4R0.3 CC(C)(C)N CUR-0014364 [0,1,1,0,0,0|1,0,0]=3 169 B4R0.3 CC(C)(C)O CUR-0002925 [0,1,1,0,0,0|0,0,0]=2 170 B4R0.3 CC(C)(C)S CUR-0101540 [0,1,1,0,0,0|0,1,0]=3 171 B4R0.3 CC(C)(C)[O-] CUR-0000696 [0,1,1,0,0,0|0,0,1]=3 172 B4R0.3 CP(=O)(C)[O-] CUR-0012653 [0,1,1,0,0,0|1,0,1]=4 173 B4R0.3 CS(=O)(=O)O CUR-0017504 [0,1,1,0,0,0|2,0,0]=4 174 B4R0.3 C[S+](=O)(C)C CUR-0021799 [0,1,1,0,0,0|1,0,1]=4 175 B4R0.3 C[Si](C)(C)Br CUR-0012930 [0,1,1,0,0,0|1,1,0]=4 176 B4R0.3 C[Si](C)(C)C CUR-0016142 [0,1,1,0,0,0|1,1,0]=4 177 B4R0.3 C[Si](C)(C)Cl CUR-0025607 [0,1,1,0,0,0|1,1,0]=4 178 B4R0.3 C[Si](C)(C)[O-] CUR-0005539 [0,1,1,0,0,0|0,1,1]=4 179 B4R0.3 C[Si](C)(Cl)Cl CUR-0009459 [0,1,1,0,0,0|1,1,0]=4 180 B6R1.4 CC1CCC1N CUR-0163343 [0,1,0,0,0,1|1,0,0]=3 181 B6R1.4 CC1CCC1O CUR-0090358 [0,1,0,0,0,1|1,0,0]=3 182 B6R1.6 C1CC(C1)CBr CUR-0003993 [0,1,0,0,0,1|1,0,0]=3 183 B6R1.6 C1CC(C1)CO CUR-0022828 [0,1,0,0,0,1|1,0,0]=3 184 B6R1.6 C1CC(C1)NN CUR-0100630 [0,1,0,0,0,1|2,0,0]=4 185 B6R1.6 CNC1CCC1 CUR-0010771 [0,1,0,0,0,1|1,0,0]=3 186 B6R1.6 CSC1CNC1 CUR-0120936 [0,1,0,0,0,1|1,0,0]=3 187 B6R1.3 C1CC1CNN CUR-0028773 [0,2,0,0,0,0|1,0,0]=3 188 B6R1.3 C1CC1CON CUR-0121722 [0,2,0,0,0,0|1,0,0]=3 189 B6R1.3 C1CC1N=C=O CUR-0027996 [0,2,0,0,0,0|1,0,1]=4 190 B6R1.3 CNCC1CC1 CUR-0090189 [0,2,0,0,0,0|1,0,0]=3 191 B6R1.8 C=C1CC1CO CUR-0163362 [0,2,0,0,0,0|1,0,0]=3 192 B6R1.11 C1CC1C(=O)Cl CUR-0101645 [0,2,0,0,0,0|1,0,1]=4 193 B6R1.11 C1CC1C(=O)O CUR-0027058 [0,2,0,0,0,0|1,0,1]=4 194 B6R1.11 CC(=O)C1CC1 CUR-0020622 [0,2,0,0,0,0|1,0,0]=3 195 B6R1.9 CC1(CC1N)C CUR-0090235 [0,2,0,0,0,0|1,0,0]=3 196 B4R1.1 C1CNC1 CUR-0026397 [0,0,1,1,0,0|1,0,0]=3 197 B6R1.2 C1CC(=O)OC1 CUR-0101496 [0,0,0,0,0,2|1,0,1]=4 198 B6R1.2 C1CCC(C1)Br CUR-0025546 [0,0,0,0,0,2|2,0,0]=4 199 B6R1.2 C1CCC(C1)N CUR-0006172 [0,0,0,0,0,2|2,0,0]=4 200 B6R1.2 C1CCC(C1)O CUR-0021370 [0,0,0,0,0,2|2,0,0]=4 201 B6R1.2 C1CNCC1O CUR-0101217 [0,0,0,0,0,2|2,0,0]=4 202 B6R1.2 C1CNC[C@@H]1O CUR-0101508 [0,0,0,0,0,2|2,0,0]=4 203 B6R1.2 C1COC(=O)N1 CUR-0101507 [0,0,0,0,0,2|1,0,1]=4 204 B6R1.2 C1COCC1O CUR-0101518 [0,0,0,0,0,2|1,0,0]=3 205 B6R1.2 C1[C@H](CON1)O CUR-0120241 [0,0,0,0,0,2|1,0,0]=3 206 B6R1.2 CN1CCCC1 CUR-0101495 [0,0,0,0,0,2|2,0,0]=4 207 B6R1.2 Cc1ccco1 CUR-0026171 [0,0,0,0,0,2|0,0,2]=4 208 B6R1.2 Cc1ccno1 CUR-0100786 [0,0,0,0,0,2|0,0,2]=4