0 B5R0.3 BrCC(Br)CBr 22430682 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 CCC(=O)CC 2825371 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(C)CO 2816664 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CCC(N)CO 2204675 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 CCN(N)CC 1778548 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.3 O=C(CCl)CCl 2826373 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 O=C(CO)CO 22430589 [0,0,0,0,0,0|0,0,2]=2 7 B5R0.3 O=CC(=O)CO 3354149 [0,0,0,0,0,0|0,0,4]=4 8 B5R0.3 OC(CCl)CCl 2817718 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 OCC(O)CCl 2825766 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.3 OCC(O)CO 2825442 [0,0,0,0,0,0|0,0,0]=0 11 B5R0.3 OCC(O)CS 22430414 [0,0,0,0,0,0|0,1,0]=1 12 B4R0.1 C=C(C)CCl 2825437 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(=O)CBr 2818247 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 CC(=O)CCl 2825445 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.1 CC(=O)CN 15296922 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 CC(=O)CO 2825282 [1,0,0,0,0,0|0,0,2]=3 17 B4R0.1 CC(C)=NO 2816596 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(C)C#N 1519459 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(C)C=O 2825266 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 CC(C)CBr 2827161 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(C)CN 1201821 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CC(C)CO 2825285 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CC(C)NN 11186491 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CC(C)[Mg]Cl 22430581 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 CC(Cl)CN 22430566 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(N)CN 2825289 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(O)CN 2825298 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 CCC(=O)O 14605034 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 CCC(C)=O 3585902 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 CCC(C)Br 2818248 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CCC(C)N 1146656 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CCC(C)O 2825288 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.1 CCN(C)C 5221370 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 C[C@H](N)CO 7020694203 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 C\C(N)=N\O 4434544 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 NCC(=O)O 2825296 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 NCC(=O)O 5753509 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 O=C(O)CBr 2827321 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 O=C(O)CCl 2825462 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 O=C(O)CI 2928692 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 O=C(O)CO 2825300 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 O=C(O)CS 2119848 [1,0,0,0,0,0|0,1,2]=4 43 B4R0.2 BrCCCBr 3037079 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 CCCC#N 1519455 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 CCCC=O 2825265 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CCCCBr 2827160 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 CCCCI 2926274 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 CCCCN 2825276 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 CCCCO 2825287 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.2 CCNCC 2825275 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.2 CNCCCl 11181174 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.2 CNCCO 1869577 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 COCCN 1147288 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.2 COCCO 2825301 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 ClCCCBr 2830992 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.2 N#CCCCl 2825416 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 NCCCBr 3189256 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.2 NCCCCl 2826653 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.2 NCCCN 2825290 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.2 NCCCO 2825297 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.2 NOCCO 1444402 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 OCCCBr 3585831 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.2 OCCCCl 2825464 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.2 OCCCO 2825304 [1,0,0,0,0,0|0,0,0]=1 65 B4R0.2 SCCC#N 2121354 [1,0,0,0,0,0|1,1,1]=4 66 B4R0.2 SCCCS 2825722 [1,0,0,0,0,0|0,2,0]=3 67 B6R0.1 CCN(C)CCO 1901644 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.1 O=C(CCl)NCO 2826223 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.3 CC(C)C(=O)CO 3515356 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.3 CC(CO)[N+](=O)[O-] 1444408 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 CCC(Br)C(=O)O 2842265 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.3 CCC(C)C(=O)O 1202010 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 CCC(N)C(=O)O 2825633 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 NC(=O)C(N)CO 7010426 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.3 NC(CS)C(=O)O 7216850007 [0,1,0,0,0,0|1,1,1]=4 76 B6R0.3 NC(CS)C(=O)O 7216850009 [0,1,0,0,0,0|1,1,1]=4 77 B6R0.3 N[C@@H](CO)C(=O)O 22430477 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.3 O=C(O)C(Br)CBr 3137001 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 O=CC(O)C(=O)O 3664128 [0,1,0,0,0,0|0,0,3]=4 80 B6R0.3 [NH-]C(CS)C(=O)O 22430434 [0,1,0,0,0,0|1,1,1]=4 81 B6R0.8 CC(C)(CN)CO 2204690 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.8 CC(C)(CO)CO 1972924 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.9 CCC(C#N)CC 2825499 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.9 CCC(CC)CN 2264875 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.9 CCC(CC)CO 2204661 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.9 COC(CCl)OC 2826255 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.9 COC(CN)OC 1655116 [0,1,0,0,0,0|3,0,0]=4 88 B6R1.2 BrC1CCCC1 2828971 [0,0,0,1,0,0|3,0,0]=4 89 B6R1.2 ClC1CCCC1 2816877 [0,0,0,1,0,0|3,0,0]=4 90 B6R1.2 NC1CCCC1 2825355 [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 OC1CCCC1 2825370 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.2 OC1CCNC1 22588262 [0,0,0,1,0,0|2,0,0]=3 93 B6R1.2 OC1CCOC1 15296955 [0,0,0,1,0,0|1,0,0]=2 94 B3R0.1 BrCCBr 2931541 [2,0,0,0,0,0|2,0,0]=4 95 B3R0.1 C#CCO 6057505 [2,0,0,0,0,0|0,0,2]=4 96 B3R0.1 CCC#N 1519460 [2,0,0,0,0,0|1,0,1]=4 97 B3R0.1 CCC=O 2825243 [2,0,0,0,0,0|0,0,2]=4 98 B3R0.1 CCCBr 2826200 [2,0,0,0,0,0|1,0,0]=3 99 B3R0.1 CCCI 2843705 [2,0,0,0,0,0|1,0,0]=3 100 B3R0.1 CCCN 2825249 [2,0,0,0,0,0|1,0,0]=3 101 B3R0.1 ClCCBr 2819184 [2,0,0,0,0,0|2,0,0]=4 102 B3R0.1 FCCBr 22430481 [2,0,0,0,0,0|2,0,0]=4 103 B3R0.1 NCCCl 2825973 [2,0,0,0,0,0|2,0,0]=4 104 B3R0.1 NCCN 3585805 [2,0,0,0,0,0|2,0,0]=4 105 B3R0.1 NCCO 3585939 [2,0,0,0,0,0|1,0,0]=3 106 B3R0.1 NCCS 2119122 [2,0,0,0,0,0|1,1,0]=4 107 B3R0.1 NCCS 22430522 [2,0,0,0,0,0|1,1,0]=4 108 B3R0.1 OCCBr 2826257 [2,0,0,0,0,0|1,0,0]=3 109 B3R0.1 OCCCl 2825315 [2,0,0,0,0,0|1,0,0]=3 110 B3R0.1 OCCF 22430618 [2,0,0,0,0,0|1,0,0]=3 111 B3R0.1 OCCS 2121589 [2,0,0,0,0,0|0,1,0]=3 112 B3R0.2 CC(=O)O 22430651 [2,0,0,0,0,0|0,0,2]=4 113 B3R0.2 CC(=O)O 2825250 [2,0,0,0,0,0|0,0,2]=4 114 B3R0.2 CC(=O)O 2825650 [2,0,0,0,0,0|0,0,2]=4 115 B3R0.2 CC(C)Br 2826201 [2,0,0,0,0,0|1,0,0]=3 116 B3R0.2 CC(C)Cl 8563287 [2,0,0,0,0,0|1,0,0]=3 117 B3R0.2 CC(C)I 2843704 [2,0,0,0,0,0|1,0,0]=3 118 B3R0.2 CC(C)N 22430489 [2,0,0,0,0,0|1,0,0]=3 119 B3R0.2 CC(C)N 2825248 [2,0,0,0,0,0|1,0,0]=3 120 B3R0.2 CC(C)S 2816601 [2,0,0,0,0,0|0,1,0]=3 121 B3R0.2 CN(C)N 1778527 [2,0,0,0,0,0|2,0,0]=4 122 B3R0.2 C[S+](C)C 22430468 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 CC(C)CC=O 2825368 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.1 CC(C)CCBr 2829190 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.1 CC(C)CCCl 2825683 [1,1,0,0,0,0|2,0,0]=4 126 B5R0.1 CC(C)CCN 22430471 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.1 CC(C)CCN 2825383 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.1 CC(C)CCO 2825400 [1,1,0,0,0,0|1,0,0]=3 129 B5R0.1 CC(O)CNN 2630835 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.1 CN(C)CCO 1275578 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.1 CNCC(C)O 1366510 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.1 COCC(=O)O 2825420 [1,1,0,0,0,0|0,0,2]=4 133 B5R0.1 COCC(C)O 2816677 [1,1,0,0,0,0|0,0,0]=2 134 B5R0.1 O=C(O)CCO 2255842 [1,1,0,0,0,0|0,0,2]=4 135 B5R0.4 CC(C)(N)CO 2825414 [1,1,0,0,0,0|1,0,0]=3 136 B5R0.4 CC(C)(O)C#N 2825351 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.4 CC(C)(O)CN 7020694197 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.4 OCC(F)(F)F 2825547 [1,1,0,0,0,0|2,0,0]=4 139 B5R0.5 CC(=O)C(C)O 2825393 [1,1,0,0,0,0|0,0,2]=4 140 B5R0.5 CC(Br)C(=O)O 2829508 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.5 CC(C)C(=O)O 1201986 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.5 CC(N)C(=O)O 7216850010 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.5 CC(N)C(C)N 5008336 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.5 CC(O)C(=O)O 2825419 [1,1,0,0,0,0|0,0,1]=3 145 B5R0.5 CC(O)C(C)O 2825429 [1,1,0,0,0,0|0,0,0]=2 146 B5R0.5 CC(S)C(=O)O 2120474 [1,1,0,0,0,0|0,1,1]=4 147 B5R0.5 C[C@H](N)C(=O)O 22430475 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.2 BrCCCCBr 3012932 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.2 CCCCCBr 2829189 [1,1,0,0,0,0|2,0,0]=4 150 B5R0.2 CCCCCC 2816646 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.2 CCCCCI 2964723 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.2 CCCCCN 2825386 [1,1,0,0,0,0|2,0,0]=4 153 B5R0.2 CCCCNC 1366508 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.2 CCNCCO 1901622 [1,1,0,0,0,0|1,0,0]=3 155 B5R0.2 COCCC#N 2816624 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.2 COCCCN 1147289 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.2 COCCCO 2422039 [1,1,0,0,0,0|0,0,0]=2 158 B5R0.2 COCCOC 2825428 [1,1,0,0,0,0|2,0,0]=4 159 B5R0.2 N#CCCCCl 2825642 [1,1,0,0,0,0|2,0,0]=4 160 B5R0.2 NCCCCN 2825405 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.2 OCC#CCO 22430583 [1,1,0,0,0,0|0,0,1]=3 162 B5R0.2 OCCCCCl 2825728 [1,1,0,0,0,0|1,0,0]=3 163 B5R0.2 [N-]=[N+]=NCCO 2422033 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.2 CCC(N)CC(=O)O 6300639 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.3 CC(CO)NCCO 2342656 [0,2,0,0,0,0|1,0,0]=3 166 B7R0.5 CC(C)C(O)CCN 1778676 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.7 CN(CCO)CCO 1901702 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.10 COC(=O)C(N)CO 2830265 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.10 OC\C(Br)=C(/Br)CO 22430689 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.11 CC(C)(CO)CC#N 3664508 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.11 COCC(C)(C)CN 2204731 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.15 CCC(CC)C(=O)O 2825993 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.15 COC(OC)C(C)O 9078758 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.16 CC(O)C(N)C(=O)O 2826109 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.18 COC(N)(CO)CO 3585946 [0,2,0,0,0,0|0,0,0]=2 176 B7R0.18 NC(CO)(CO)CO 2826147 [0,2,0,0,0,0|0,0,0]=2 177 B5R1.2 BrC1CCC1 22430603 [1,0,0,1,0,0|2,0,0]=4 178 B5R1.2 O=C1COC1 3463696 [1,0,0,1,0,0|0,0,2]=4 179 B5R1.2 OC1CNC1 3488477 [1,0,0,1,0,0|1,0,0]=3 180 B5R1.2 OC1COC1 5005520 [1,0,0,1,0,0|0,0,0]=2 181 B5R1.2 OC1CSC1 3354159 [1,0,0,1,0,0|0,1,0]=3 182 B5R1.3 ClCC1CO1 2825444 [1,0,0,1,0,0|1,0,0]=3 183 B5R1.3 OCC1CC1 1867144 [1,0,0,1,0,0|1,0,0]=3 184 B5R1.1 C1=CCCC1 22430580 [1,0,0,1,0,0|2,0,0]=4 185 B5R1.1 C1=COCC1 22430513 [1,0,0,1,0,0|1,0,1]=4 186 B5R1.1 C1CCNC1 2825262 [1,0,0,1,0,0|2,0,0]=4 187 B5R1.1 C1CCSC1 6849773 [1,0,0,1,0,0|1,1,0]=4 188 B7R1.1 COC1CCNC1 1496837 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.1 ClCC1CCCO1 2826142 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.1 NCC1CCCO1 2825583 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.1 OCC1CCCO1 2825610 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.2 O=C1CC(O)CN1 6849800 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.3 CC1COCCN1 1145918 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.3 OC1CCCCC1 2825569 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.3 OC1CCNCC1 2825584 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.4 NC1CCCC1O 1778567 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.25 CC1(CO)COC1 2825602 [0,1,0,1,0,0|1,0,0]=3 198 B7R1.29 OCC1(CO)CC1 1972920 [0,1,0,1,0,0|1,0,0]=3 199 B7R2.13 C1CC2OC2C1 6849639 [0,0,0,2,0,0|2,0,0]=4