0 B6R0.6 BrCCCCCBr 3155764 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 BrCCSCCBr 11182098 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C=CCNCC=C 1868919 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 CCCCCCBr 2833096 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 CCCCCCI 3023373 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 CCCCCCN 2204682 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 CCCCCCO 2825622 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.6 CCCCNCC 1366521 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.6 CCCNCCC 1366522 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.6 CCCOCCO 2816865 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 CCOCCCN 1147303 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 COCCCCN 1147290 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 ClCCNCCCl 1195206 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.6 ClCCOCCCl 2827889 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 ICCOCCI 7131948 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 NCCCCCO 2816851 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 NCCOCCCl 4787342 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 NCCOCCO 2825663 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 OCCCCCO 2816866 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.6 OCCNCCO 3645288 [0,0,0,0,0,0|0,0,0]=0 20 B6R0.6 OCCOCCF 3354266 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.6 OCCOCCO 2825668 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.6 OCCSCCO 2826190 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.2 BrCCCCBr 3012932 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.2 C=CCNCC 1868920 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.2 C=CCNCC 6668548 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.2 CCCCCBr 2829189 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.2 CCCCCC 2816646 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 CCCCCI 2964723 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.2 CCCCCN 2825386 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.2 CCCCNC 1366508 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.2 CCNCCO 1901622 [1,0,0,0,0,0|0,0,0]=1 32 B5R0.2 COCCCN 1147289 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.2 COCCCO 2422039 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.2 N#CCCCCl 2825642 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 NCCCCN 2825405 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.2 OCC#CCO 22430583 [1,0,0,0,0,0|0,0,2]=3 37 B5R0.2 OCCCCCl 2825728 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.2 [N-]=[N+]=NCCO 2422033 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.1 CCCCCCCI 3112189 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.1 CCCCNCCC 1366549 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.1 CCCCNCCO 1868692 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.1 CCCCOCCO 2826077 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.1 COCCOCCCl 2422877 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.1 COCCOCCO 2817276 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.1 NCCCCCCN 22430407 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.1 NCCCCCCN 2826021 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.1 NCCCCCCO 7020210387 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.1 OCCCCCCO 2826079 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.1 OCCCNCCO 2826115 [0,1,0,0,0,0|0,0,0]=1 50 B7R0.3 CC(CO)NCCO 2342656 [0,1,0,0,0,0|0,0,0]=1 51 B7R0.3 CCCNC(=O)CCl 7020410083 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.4 CC(C)CCCCN 2204705 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.4 NCCCCC(=O)O 2817193 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.4 NCCSCC(=O)O 2119083 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.4 O=C(O)CCCCBr 22430367 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.7 CN(CCO)CCO 1901702 [0,1,0,0,0,0|0,0,0]=1 57 B7R1.1 CCC1CCCN1 1972918 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.1 ClCC1CCCO1 2826142 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.1 NCC1CCCC1 1038369 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.1 NCC1CCCO1 2825583 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.1 OCC1CCCO1 2825610 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.3 BrC1CCCCC1 2832703 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.3 CC1CCCCN1 1188004 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.3 CC1CCCNC1 2825545 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.3 CC1CNCCN1 2825576 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.3 CC1CNCCO1 1145920 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.3 CC1COCCN1 1145918 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.3 NC1CCCCC1 2825544 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.3 O=C1CCCCO1 22430347 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.3 O=C1CCCNC1 4666770 [0,0,0,1,0,0|1,0,2]=4 71 B7R1.3 OC1CCCCC1 2825569 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.3 OC1CCNCC1 2825584 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.3 [NH3+]C1CCCCC1 7010260176 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.4 NC1CCCC1O 1778567 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.7 OCCNC1CC1 1879019 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.24 C1CCCNCC1 2825542 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.24 C1CCNCNC1 22430574 [0,0,0,1,0,0|3,0,0]=4 78 B4R0.2 BrCCCBr 3037079 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.2 CCCC#N 1519455 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.2 CCCC=O 2825265 [2,0,0,0,0,0|0,0,2]=4 81 B4R0.2 CCCCBr 2827160 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.2 CCCCI 2926274 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.2 CCCCN 2825276 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.2 CCCCO 2825287 [2,0,0,0,0,0|0,0,0]=2 85 B4R0.2 CCNCC 2825275 [2,0,0,0,0,0|0,0,0]=2 86 B4R0.2 CNCCCl 11181174 [2,0,0,0,0,0|1,0,0]=3 87 B4R0.2 CNCCO 1869577 [2,0,0,0,0,0|0,0,0]=2 88 B4R0.2 COCCN 1147288 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.2 COCCO 2825301 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.2 ClCCCBr 2830992 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.2 NCCCBr 3189256 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.2 NCCCCl 2826653 [2,0,0,0,0,0|2,0,0]=4 93 B4R0.2 NCCCN 2825290 [2,0,0,0,0,0|2,0,0]=4 94 B4R0.2 NCCCO 2825297 [2,0,0,0,0,0|1,0,0]=3 95 B4R0.2 NOCCO 1444402 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.2 OCCCBr 3585831 [2,0,0,0,0,0|1,0,0]=3 97 B4R0.2 OCCCCl 2825464 [2,0,0,0,0,0|1,0,0]=3 98 B4R0.2 OCCCO 2825304 [2,0,0,0,0,0|0,0,0]=2 99 B4R0.2 SCCCS 2825722 [2,0,0,0,0,0|0,2,0]=4 100 B6R0.1 CCN(C)CCO 1901644 [1,1,0,0,0,0|0,0,0]=2 101 B6R0.1 CCNC(=O)CCl 1898923 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.1 O=C(CCl)NCO 2826223 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.4 CC(=O)NCCN 1137830 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.4 CC(C)OCCBr 2842268 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.4 CC(C)OCCN 1147316 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.4 CC(C)OCCO 2825651 [1,1,0,0,0,0|1,0,0]=3 107 B6R0.4 CCCCC(=O)O 2825609 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.4 CCCNC(C)C 1366523 [1,1,0,0,0,0|1,0,0]=3 109 B6R0.4 CN(C)CCCO 1275604 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.4 NCCCC(=O)O 2825632 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.1 N#CCC(=O)NCCO 1686098 [0,2,0,0,0,0|1,0,1]=4 112 B8R0.4 CCCCCCCCO 2826716 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.4 CCCCNCCCC 1366601 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.4 CCOCCOCCO 2827001 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.4 COCCCNCCO 1868574 [0,2,0,0,0,0|0,0,0]=2 116 B8R0.4 COCCNCCOC 2826957 [0,2,0,0,0,0|0,0,0]=2 117 B8R0.4 N#CCCNCCC#N 2826208 [0,2,0,0,0,0|2,0,0]=4 118 B8R0.6 COC(=O)CCCCO 15075354 [0,2,0,0,0,0|1,0,1]=4 119 B8R0.6 COCCNC(=O)CCl 1892862 [0,2,0,0,0,0|1,0,1]=4 120 B8R0.6 O=C(CCl)NCCCO 1898196 [0,2,0,0,0,0|1,0,1]=4 121 B8R0.7 CCCCCCC(=O)O 2826683 [0,2,0,0,0,0|2,0,0]=4 122 B8R0.7 CCCNCCC(=O)O 3644512 [0,2,0,0,0,0|1,0,0]=3 123 B8R0.7 CN(C)CCNCCO 7020420357 [0,2,0,0,0,0|1,0,0]=3 124 B8R0.7 COCCOCC(=O)O 2826982 [0,2,0,0,0,0|1,0,1]=4 125 B8R0.7 N#CCCNCC(=O)O 1876210 [0,2,0,0,0,0|1,0,1]=4 126 B8R0.7 NCCCCCC(=O)O 2826759 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.7 O=C(O)CCCCCBr 972804 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.8 CC(C)C(=O)NCCO 1015081 [0,2,0,0,0,0|1,0,1]=4 129 B8R0.8 CC(Cl)C(=O)NCCO 1655098 [0,2,0,0,0,0|1,0,1]=4 130 B8R0.25 CC(C)(C#N)NCCO 1125531 [0,2,0,0,0,0|1,0,1]=4 131 B8R0.28 CC(C)CNCC(C)C 1778769 [0,2,0,0,0,0|2,0,0]=4 132 B8R0.28 CC(Cl)CNCC(C)Cl 1444394 [0,2,0,0,0,0|2,0,0]=4 133 B8R0.28 O=C(O)CNCC(=O)O 2826933 [0,2,0,0,0,0|0,0,2]=4 134 B6R1.1 C1=CCCCC1 2825327 [1,0,0,1,0,0|2,0,0]=4 135 B6R1.1 C1=COCCC1 22430465 [1,0,0,1,0,0|1,0,1]=4 136 B6R1.1 C1CCCCC1 2825346 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.1 C1CCNCC1 3585804 [1,0,0,1,0,0|1,0,0]=3 138 B6R1.1 C1CNCCN1 2825375 [1,0,0,1,0,0|1,0,0]=3 139 B6R1.1 C1COCCN1 2825379 [1,0,0,1,0,0|0,0,0]=2 140 B6R1.2 BrC1CCCC1 2828971 [1,0,0,1,0,0|2,0,0]=4 141 B6R1.2 ClC1CCCC1 2816877 [1,0,0,1,0,0|2,0,0]=4 142 B6R1.2 NC1CCCC1 2825355 [1,0,0,1,0,0|2,0,0]=4 143 B6R1.2 O=C1CCCO1 2825356 [1,0,0,1,0,0|0,0,2]=4 144 B6R1.2 O=C1CCNC1 4061482 [1,0,0,1,0,0|0,0,2]=4 145 B6R1.2 O=C1NCCO1 2825377 [1,0,0,1,0,0|0,0,2]=4 146 B6R1.2 OC1CCCC1 2825370 [1,0,0,1,0,0|1,0,0]=3 147 B6R1.2 OC1CCNC1 22588262 [1,0,0,1,0,0|0,0,0]=2 148 B6R1.2 OC1CCOC1 15296955 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.2 CCC1CCCCN1 2825876 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.2 OCC1CCCCC1 2825924 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.2 OCC1CCCNC1 1298066 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.2 OCC1CCNCC1 7020694212 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.2 OCC1CCOCC1 2817140 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.2 OCC1CNCCN1 3338353 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.2 OCC1COCCN1 3664754 [0,1,0,1,0,0|0,0,0]=2 156 B8R1.5 ClC1OCCOC1Cl 11181173 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.8 ClCCN1CCCC1 2843707 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.8 OCCC1CCCC1 15075351 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.8 OCCC1OCCO1 6001159 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.8 OCCN1CCCC1 1275580 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.10 NCCCN1CCC1 5980497 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.22 CC1CCCNCC1 6595001 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.22 O=C1CCCCCO1 3585961 [0,1,0,1,0,0|1,0,1]=4 164 B8R1.22 O=C1CCCNCC1 5008389 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.36 N#CCCNC1CC1 1876272 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.3 CC1CCC(O)CC1 2825919 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.3 OC1CSC(O)CS1 2829427 [0,1,0,1,0,0|1,1,0]=4 168 B8R1.3 O[C@H]1CC[C@H](N)CC1 6306024 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.4 CC1CCCC(O)C1 2825921 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.4 CC1CNCC(C)C1 2825878 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.4 CC1CNCC(C)O1 1145922 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.7 O=C(O)C1CCCN1 1000023 [0,1,0,1,0,0|1,0,1]=4 173 B8R1.7 O=C(O)C1CCCN1 6054636 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.7 O=C(O)C1CCCO1 2825980 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.7 O=C(O)C1NCCS1 6849788 [0,1,0,1,0,0|0,1,1]=4 176 B8R1.7 O=C(O)[C@@H]1CCCN1 22430400 [0,1,0,1,0,0|1,0,1]=4 177 B8R2.55 C1CCC2(C1)CO2 2816740 [0,0,0,2,0,0|2,0,0]=4 178 B8R2.25 C1CCC2OC2C1 2825515 [0,0,0,2,0,0|2,0,0]=4