0 B4R0.2 C#CCCN CUR-0100609 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCCO CUR-0101442 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C(CBr)CBr CUR-0016721 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C(CCl)C#N CUR-0025838 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C(CCl)CBr CUR-0004377 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C(CN)CBr CUR-0103678 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 C(CN)CCl CUR-0101958 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C(CN)CN CUR-0101462 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 C(CN)CO CUR-0005687 [0,0,0,0,0,0|2,1,1]=4 9 B4R0.2 C(CO)C#N CUR-0000520 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C(CO)CCl CUR-0004180 [0,0,0,0,0,0|2,1,1]=4 11 B4R0.2 C(CO)CO CUR-0007262 [0,0,0,0,0,0|2,1,1]=4 12 B4R0.2 C(CO)NN CUR-0100819 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.2 C(CS)CS CUR-0006323 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.2 C=CCCBr CUR-0002027 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.2 C=CCCI CUR-0000685 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 C=CCCO CUR-0101449 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 CC#CCBr CUR-0102000 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.2 CC=CC#N CUR-0028876 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.2 CCCC#N CUR-0101440 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.2 CCCC=O CUR-0100896 [0,0,0,0,0,0|1,1,1]=3 21 B4R0.2 CCCCBr CUR-0023794 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.2 CCCCCl CUR-0023945 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.2 CCCCI CUR-0001021 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.2 CCCCN CUR-0017800 [0,0,0,0,0,0|2,0,1]=3 25 B4R0.2 CCCCN CUR-0101317 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.2 CCCCO CUR-0016718 [0,0,0,0,0,0|1,1,1]=3 27 B4R0.2 CCCNN CUR-0022831 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.2 CCN=C=O CUR-0101447 [0,0,0,0,0,0|0,1,0]=1 29 B4R0.2 CCN=C=S CUR-0006416 [0,0,0,0,0,0|0,0,0]=0 30 B4R0.2 CCNCC CUR-0022731 [0,0,0,0,0,0|1,0,2]=3 31 B4R0.2 CCNCC CUR-0101285 [0,0,0,0,0,0|1,0,2]=3 32 B4R0.2 CCOC=C CUR-0100764 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.2 CCOC=O CUR-0010493 [0,0,0,0,0,0|1,1,1]=3 34 B4R0.2 CNCCI CUR-0017490 [0,0,0,0,0,0|3,0,1]=4 35 B4R0.2 CNCCO CUR-0011813 [0,0,0,0,0,0|2,1,1]=4 36 B4R0.2 COCC#N CUR-0101446 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.2 COCCBr CUR-0009505 [0,0,0,0,0,0|3,0,1]=4 38 B4R0.2 COCCCl CUR-0000941 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.2 COCCN CUR-0012344 [0,0,0,0,0,0|3,0,1]=4 40 B4R0.2 COCCO CUR-0101466 [0,0,0,0,0,0|2,1,1]=4 41 B4R0.2 COCOC CUR-0101465 [0,0,0,0,0,0|4,0,0]=4 42 B4R0.2 CSCCN CUR-0101544 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.2 C\C=C\C#N CUR-0101432 [0,0,0,0,0,0|2,0,2]=4 44 B4R0.2 C\C=C\C=O CUR-0001472 [0,0,0,0,0,0|1,1,2]=4 45 B3R0.1 C#CCBr CUR-0002725 [1,0,0,0,0,0|2,0,1]=4 46 B3R0.1 C#CCN CUR-0101424 [1,0,0,0,0,0|2,0,1]=4 47 B3R0.1 C#CCO CUR-0007009 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.1 C(C#N)Br CUR-0100898 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.1 C(C#N)Cl CUR-0018708 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.1 C(C#N)N CUR-0101408 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.1 C(C=O)Cl CUR-0018990 [1,0,0,0,0,0|1,1,1]=4 52 B3R0.1 C(CBr)Br CUR-0000806 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.1 C(CBr)Cl CUR-0006161 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.1 C(CBr)N CUR-0103516 [1,0,0,0,0,0|2,0,1]=4 55 B3R0.1 C(CBr)O CUR-0021042 [1,0,0,0,0,0|1,1,1]=4 56 B3R0.1 C(CCl)N CUR-0015629 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.1 C(CCl)O CUR-0101474 [1,0,0,0,0,0|1,1,1]=4 58 B3R0.1 C(CN)N CUR-0009355 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 C(CN)N CUR-0101207 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 C(CN)N CUR-0101271 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.1 C(CO)N CUR-0010085 [1,0,0,0,0,0|1,1,1]=4 62 B3R0.1 C(CO)O CUR-0026540 [1,0,0,0,0,0|1,1,1]=4 63 B3R0.1 C(CS)N CUR-0000633 [1,0,0,0,0,0|1,0,2]=4 64 B3R0.1 C(CS)N CUR-0101235 [1,0,0,0,0,0|1,0,2]=4 65 B3R0.1 C(CS)O CUR-0013730 [1,0,0,0,0,0|1,0,2]=4 66 B3R0.1 C=CCBr CUR-0014802 [1,0,0,0,0,0|2,0,1]=4 67 B3R0.1 C=CCCl CUR-0002102 [1,0,0,0,0,0|2,0,1]=4 68 B3R0.1 C=CCI CUR-0024817 [1,0,0,0,0,0|2,0,1]=4 69 B3R0.1 C=CCN CUR-0009493 [1,0,0,0,0,0|2,0,1]=4 70 B3R0.1 C=CCO CUR-0101427 [1,0,0,0,0,0|2,0,1]=4 71 B3R0.1 CCC#N CUR-0100813 [1,0,0,0,0,0|1,0,1]=3 72 B3R0.1 CCC=O CUR-0015273 [1,0,0,0,0,0|0,1,1]=3 73 B3R0.1 CCCBr CUR-0028377 [1,0,0,0,0,0|1,0,1]=3 74 B3R0.1 CCCI CUR-0010202 [1,0,0,0,0,0|1,0,1]=3 75 B3R0.1 CCCN CUR-0000120 [1,0,0,0,0,0|1,0,1]=3 76 B3R0.1 CCCO CUR-0017382 [1,0,0,0,0,0|0,1,1]=3 77 B3R0.1 CCCS CUR-0009615 [1,0,0,0,0,0|0,0,2]=3 78 B3R0.1 CCNN CUR-0017500 [1,0,0,0,0,0|1,0,1]=3 79 B3R0.1 CN=C=S CUR-0012135 [1,0,0,0,0,0|0,0,0]=1 80 B3R0.1 CNC=O CUR-0012781 [1,0,0,0,0,0|0,1,2]=4 81 B3R0.1 CNOC CUR-0015640 [1,0,0,0,0,0|1,0,2]=4 82 B3R0.1 COCCl CUR-0028317 [1,0,0,0,0,0|2,0,1]=4 83 B3R0.1 CSSC CUR-0101553 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 CC(C)CC#N CUR-0101228 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.1 CC(C)CC=O CUR-0101502 [0,1,0,0,0,0|1,1,1]=4 86 B5R0.1 CC(C)CCBr CUR-0002757 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.1 CC(C)CCN CUR-0101511 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.1 CC(C)CCO CUR-0003416 [0,1,0,0,0,0|1,1,1]=4 89 B5R0.1 CC(C)CNN CUR-0001046 [0,1,0,0,0,0|3,0,0]=4 90 B5R0.1 CC(C)N=C=O CUR-0101492 [0,1,0,0,0,0|0,1,0]=2 91 B5R0.1 CC(C)N=C=S CUR-0101608 [0,1,0,0,0,0|0,0,0]=1 92 B5R0.1 CC(CCO)O CUR-0003759 [0,1,0,0,0,0|1,1,1]=4 93 B5R0.1 CC(COC)N CUR-0101532 [0,1,0,0,0,0|3,0,0]=4 94 B5R0.1 CC(CSC)N CUR-0019523 [0,1,0,0,0,0|3,0,0]=4 95 B5R0.1 CCCC(=O)C CUR-0026599 [0,1,0,0,0,0|1,1,1]=4 96 B5R0.1 CCCC(=O)Cl CUR-0020308 [0,1,0,0,0,0|1,1,1]=4 97 B5R0.1 CCCC(=O)O CUR-0020198 [0,1,0,0,0,0|1,1,1]=4 98 B5R0.1 CCCC(C)O CUR-0023615 [0,1,0,0,0,0|1,1,1]=4 99 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [0,1,0,0,0,0|2,1,0]=4 100 B5R0.1 CCOC(=O)C CUR-0101519 [0,1,0,0,0,0|1,1,1]=4 101 B5R0.1 CCOC(=O)Cl CUR-0026181 [0,1,0,0,0,0|1,1,1]=4 102 B5R0.1 CCOC(=O)N CUR-0100824 [0,1,0,0,0,0|1,1,1]=4 103 B5R0.2 C#CCCCO CUR-0101486 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.2 C#CCN=C=O CUR-0021951 [0,1,0,0,0,0|0,1,1]=3 105 B5R0.2 C(CC#N)CCl CUR-0000109 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.2 C(CC#N)CO CUR-0020823 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.2 C(CCBr)CBr CUR-0026189 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.2 C(CCBr)CCl CUR-0000065 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.2 C(CCCl)CO CUR-0025105 [0,1,0,0,0,0|1,1,1]=4 110 B5R0.2 C(CCN)CN CUR-0016745 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.2 C(CCO)CO CUR-0024794 [0,1,0,0,0,0|1,1,1]=4 112 B5R0.2 C(CCS)CN CUR-0119579 [0,1,0,0,0,0|1,0,2]=4 113 B5R0.2 C(CCl)N=C=O CUR-0029062 [0,1,0,0,0,0|0,1,0]=2 114 B5R0.2 C=CCCCN CUR-0089890 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.2 C=CCN=C=S CUR-0101580 [0,1,0,0,0,0|0,0,1]=2 116 B5R0.2 CC#CCCN CUR-0091824 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.2 CCCCC#N CUR-0002776 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.2 CCCCC=O CUR-0020580 [0,1,0,0,0,0|1,1,1]=4 119 B5R0.2 CCCCCBr CUR-0020920 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.2 CCCCCI CUR-0007389 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.2 CCCCCN CUR-0101510 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.2 CCCCCO CUR-0018736 [0,1,0,0,0,0|1,1,1]=4 123 B5R0.2 CCCCNC CUR-0101509 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.2 CCCN=C=O CUR-0101493 [0,1,0,0,0,0|0,1,0]=2 125 B5R0.2 CCNCCCl CUR-0137711 [0,1,0,0,0,0|1,0,2]=4 126 B5R0.2 CCNCCO CUR-0101534 [0,1,0,0,0,0|0,1,2]=4 127 B5R0.2 CCOCCBr CUR-0026041 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.2 CCOCCO CUR-0010841 [0,1,0,0,0,0|1,1,1]=4 129 B5R0.2 CCO\C=C\C CUR-0101289 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.2 CC\C=C/C#N CUR-0101476 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.2 CC\C=C/CO CUR-0101504 [0,1,0,0,0,0|1,1,1]=4 132 B5R0.2 CNCCC#C CUR-0041404 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.2 CNCCC#N CUR-0024199 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.2 CNCCCN CUR-0101524 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.2 CNCCNC CUR-0001888 [0,1,0,0,0,0|3,0,0]=4 136 B5R0.2 CNCCOC CUR-0101531 [0,1,0,0,0,0|3,0,0]=4 137 B5R0.2 COCCC#N CUR-0101494 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.2 COCCCN CUR-0101530 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.2 COCCNN CUR-0018740 [0,1,0,0,0,0|3,0,0]=4 140 B5R0.2 COCCOC CUR-0026380 [0,1,0,0,0,0|3,0,0]=4 141 B5R0.3 CCC(=O)CC CUR-0101500 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.3 CCC(C)CO CUR-0101523 [0,1,0,0,0,0|1,1,1]=4 143 B5R0.3 CCC(C)NN CUR-0004060 [0,1,0,0,0,0|3,0,0]=4 144 B5R0.3 CCC(CC)Br CUR-0020873 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.3 CCC(CO)N CUR-0101528 [0,1,0,0,0,0|1,1,1]=4 146 B5R0.3 CC\C(=N/O)\N CUR-0010533 [0,1,0,0,0,0|2,1,0]=4 147 B5R1.1 C1CCNC1 CUR-0027320 [0,0,0,1,0,0|1,0,2]=4 148 B5R1.1 C1COC=C1 CUR-0023942 [0,0,0,1,0,0|1,1,1]=4 149 B5R1.2 C1CC(=O)C1 CUR-0005686 [0,0,0,1,0,0|1,1,1]=4 150 B5R1.2 C1CC(C1)Br CUR-0102047 [0,0,0,1,0,0|2,0,1]=4 151 B5R1.2 C1CC(C1)O CUR-0029256 [0,0,0,1,0,0|1,1,1]=4 152 B5R1.3 C1CC1C#N CUR-0028789 [0,0,0,1,0,0|2,0,1]=4 153 B5R1.3 C1CC1C=O CUR-0016286 [0,0,0,1,0,0|1,1,1]=4 154 B5R1.3 C1CC1CBr CUR-0015213 [0,0,0,1,0,0|2,0,1]=4 155 B5R1.3 C1CC1CN CUR-0019694 [0,0,0,1,0,0|2,0,1]=4 156 B5R1.3 C1CC1CO CUR-0016442 [0,0,0,1,0,0|1,1,1]=4 157 B2R0.1 C(Br)Br CUR-0005423 [2,0,0,0,0,0|2,0,0]=4 158 B2R0.1 C(I)I CUR-0100965 [2,0,0,0,0,0|2,0,0]=4 159 B2R0.1 CC=O CUR-0008743 [2,0,0,0,0,0|0,1,1]=4 160 B2R0.1 CCBr CUR-0012119 [2,0,0,0,0,0|1,0,0]=3 161 B2R0.1 CCI CUR-0000443 [2,0,0,0,0,0|1,0,0]=3 162 B2R0.1 CCN CUR-0101229 [2,0,0,0,0,0|0,0,1]=3 163 B2R0.1 CCS CUR-0022672 [2,0,0,0,0,0|0,0,1]=3 164 B2R0.1 CNC CUR-0026541 [2,0,0,0,0,0|0,0,2]=4 165 B2R0.1 CNC CUR-0101266 [2,0,0,0,0,0|0,0,2]=4 166 B2R0.1 CNN CUR-0101255 [2,0,0,0,0,0|1,0,1]=4 167 B2R0.1 CON CUR-0007384 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.1 CC(C#C)N CUR-0083146 [1,1,0,0,0,0|1,0,1]=4 169 B4R0.1 CC(C#C)O CUR-0101444 [1,1,0,0,0,0|1,0,1]=4 170 B4R0.1 CC(C#N)Cl CUR-0101233 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 CC(C)C#N CUR-0009528 [1,1,0,0,0,0|1,0,1]=4 172 B4R0.1 CC(C)C=O CUR-0017872 [1,1,0,0,0,0|0,1,1]=4 173 B4R0.1 CC(C)CBr CUR-0024115 [1,1,0,0,0,0|1,0,1]=4 174 B4R0.1 CC(C)CI CUR-0028804 [1,1,0,0,0,0|1,0,1]=4 175 B4R0.1 CC(C)CN CUR-0020747 [1,1,0,0,0,0|1,0,1]=4 176 B4R0.1 CC(C)CO CUR-0012302 [1,1,0,0,0,0|0,1,1]=4 177 B4R0.1 CC(C)NN CUR-0014509 [1,1,0,0,0,0|1,0,1]=4 178 B4R0.1 CC(CN)N CUR-0101461 [1,1,0,0,0,0|1,0,1]=4 179 B4R0.1 CC(CN)O CUR-0024952 [1,1,0,0,0,0|1,0,1]=4 180 B4R0.1 CC(CN)S CUR-0003165 [1,1,0,0,0,0|1,0,1]=4 181 B4R0.1 CC(CO)O CUR-0022593 [1,1,0,0,0,0|0,1,1]=4 182 B4R0.1 CC(CS)N CUR-0021165 [1,1,0,0,0,0|0,0,2]=4 183 B4R0.1 CCC(=O)Cl CUR-0101547 [1,1,0,0,0,0|0,1,1]=4 184 B4R0.1 CCC(=O)N CUR-0101453 [1,1,0,0,0,0|0,1,1]=4 185 B4R0.1 CCC(=O)O CUR-0010221 [1,1,0,0,0,0|0,1,1]=4 186 B4R0.1 CCC(C)Br CUR-0102085 [1,1,0,0,0,0|1,0,1]=4 187 B4R0.1 CCC(C)I CUR-0055396 [1,1,0,0,0,0|1,0,1]=4 188 B4R0.1 CCC(C)N CUR-0001789 [1,1,0,0,0,0|1,0,1]=4 189 B4R0.1 CCN(C)C CUR-0101456 [1,1,0,0,0,0|0,0,2]=4 190 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [1,1,0,0,0,0|0,1,1]=4 191 B4R0.1 CNC(=S)N CUR-0004136 [1,1,0,0,0,0|0,0,2]=4 192 B4R0.1 C\C(=N\O)\N CUR-0098903 [1,1,0,0,0,0|0,1,1]=4 193 B6R0.4 CC(C)CN=C=O CUR-0095337 [0,2,0,0,0,0|0,1,0]=3 194 B6R0.5 CC(C)(C)N=C=O CUR-0101577 [0,2,0,0,0,0|0,1,0]=3 195 B6R0.5 CC(C)(C)N=C=S CUR-0019806 [0,2,0,0,0,0|0,0,0]=2 196 B6R0.5 CS(=O)(=O)N=C=O CUR-0012346 [0,2,0,0,0,0|1,1,0]=4 197 B6R0.6 C(CN=[N+]=[N-])CO CUR-0005323 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.6 C(N=C=O)N=C=O CUR-0101568 [0,2,0,0,0,0|0,1,1]=4 199 B6R0.6 COCCN=C=O CUR-0101602 [0,2,0,0,0,0|0,1,0]=3 200 B4R1.1 C1CNC1 CUR-0026397 [1,0,0,1,0,0|0,0,2]=4 201 B4R1.2 C1CC1Br CUR-0101807 [1,0,0,1,0,0|1,0,1]=4 202 B4R1.2 C1CC1N CUR-0000296 [1,0,0,1,0,0|1,0,1]=4 203 B4R1.2 CC1CO1 CUR-0006075 [1,0,0,1,0,0|0,1,1]=4 204 B6R1.2 C1CNC(=S)N1 CUR-0101624 [0,1,0,1,0,0|0,0,2]=4 205 B6R1.2 C1CSC(=N1)N CUR-0013303 [0,1,0,1,0,0|0,0,2]=4 206 B6R1.2 C1CSC(=N1)N CUR-0101202 [0,1,0,1,0,0|0,0,2]=4 207 B6R1.2 C1CSC(=N1)S CUR-0101794 [0,1,0,1,0,0|0,0,2]=4 208 B6R1.3 C1CC1N=C=O CUR-0027996 [0,1,0,1,0,0|0,1,0]=3