0 B5R0.2 BrCCCCBr 3012932 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 C=CCNCC 1868920 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C=CCNCC 6668548 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 CCCCCBr 2829189 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.2 CCCCCC 2816646 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 CCCCCI 2964723 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.2 CCCCCN 2825386 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.2 CCCCNC 1366508 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.2 CCNCCO 1901622 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 COCCC#N 2816624 [0,0,0,0,0,0|0,1,2]=3 10 B5R0.2 COCCCN 1147289 [0,0,0,0,0,0|0,1,0]=1 11 B5R0.2 COCCCO 2422039 [0,0,0,0,0,0|1,1,0]=2 12 B5R0.2 COCCOC 2825428 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.2 COCN=C=O 1499834 [0,0,0,0,0,0|2,1,1]=4 14 B5R0.2 N#CCCCCl 2825642 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.2 NCCCCN 2825405 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.2 O=C=NCCCl 1499831 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.2 OCCCCCl 2825728 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 [N-]=[N+]=NCCO 2422033 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.2 BrCCCBr 3037079 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 C=COCC 2825267 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 CCCC#N 1519455 [1,0,0,0,0,0|0,0,2]=3 22 B4R0.2 CCCC=O 2825265 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.2 CCCCBr 2827160 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.2 CCCCI 2926274 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.2 CCCCN 2825276 [1,0,0,0,0,0|0,0,0]=1 26 B4R0.2 CCCCO 2825287 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.2 CCN=C=S 2825382 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 CCNCC 2825275 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 CNCCCl 11181174 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 CNCCO 1869577 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 COCCN 1147288 [1,0,0,0,0,0|0,1,0]=2 32 B4R0.2 COCCO 2825301 [1,0,0,0,0,0|1,1,0]=3 33 B4R0.2 COCOC 2825302 [1,0,0,0,0,0|1,1,0]=3 34 B4R0.2 COCON 6249814 [1,0,0,0,0,0|1,1,0]=3 35 B4R0.2 CSCC#N 2120662 [1,0,0,0,0,0|0,0,2]=3 36 B4R0.2 ClCCCBr 2830992 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 N#CCCCl 2825416 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.2 N#CCON 9080699 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 NCCCBr 3189256 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.2 NCCCCl 2826653 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.2 NCCCN 2825290 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.2 NCCCO 2825297 [1,0,0,0,0,0|0,1,0]=2 43 B4R0.2 NOCCO 1444402 [1,0,0,0,0,0|1,1,0]=3 44 B4R0.2 OCCCBr 3585831 [1,0,0,0,0,0|1,1,0]=3 45 B4R0.2 OCCCCl 2825464 [1,0,0,0,0,0|1,1,0]=3 46 B4R0.2 OCCCO 2825304 [1,0,0,0,0,0|1,1,0]=3 47 B4R0.2 SCCC#N 2121354 [1,0,0,0,0,0|0,0,2]=3 48 B4R0.2 SCCCS 2825722 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.1 CCN(C)CCO 1901644 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 CCOC(=O)CN 1705459 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCOC(=O)CN 3354232 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 CNC(=O)CON 6249823 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.1 COC(=O)CCN 2827416 [0,1,0,0,0,0|0,1,1]=3 54 B6R0.1 COC(=O)CCS 22430614 [0,1,0,0,0,0|1,1,1]=4 55 B6R0.4 CC(=O)CCCCl 1655122 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.4 CC(=O)NCCN 1137830 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.4 CC(=O)OCCBr 5662412 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.4 CC(C)OCCBr 2842268 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.4 CC(C)OCCN 1147316 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.4 CC(C)OCCO 2825651 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.4 CCCCC(=O)O 2825609 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.4 CCCCC(C)=O 1366517 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.4 CCCNC(C)C 1366523 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.4 CN(C)CCC#N 1328507 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.4 CN(C)CCCCl 3463726 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.4 CN(C)CCCN 1901636 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.4 CN(C)CCCO 1275604 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.4 COCCC(=O)O 2816856 [0,1,0,0,0,0|1,1,1]=4 69 B6R0.4 NC(=O)CCCCl 4787221 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.4 NCCCC(=O)O 2825632 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.4 NCCCC(N)=O 15298719 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.4 O=C(Cl)CCCCl 2827553 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.6 BrCCCCCBr 3155764 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.6 BrCCSCCBr 11182098 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.6 CCCCCCBr 2833096 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.6 CCCCCCI 3023373 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.6 CCCCCCN 2204682 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.6 CCCCCCO 2825622 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.6 CCCCNCC 1366521 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.6 CCCNCCC 1366522 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.6 CCCOCCO 2816865 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.6 CCOCCCN 1147303 [0,1,0,0,0,0|0,1,0]=2 83 B6R0.6 CCOCOCC 2825652 [0,1,0,0,0,0|2,1,0]=4 84 B6R0.6 COCCCCN 1147290 [0,1,0,0,0,0|0,1,0]=2 85 B6R0.6 COCCN=C=O 1055526 [0,1,0,0,0,0|1,1,1]=4 86 B6R0.6 ClCCNCCCl 1195206 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.6 ClCCOCCCl 2827889 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.6 ICCOCCI 7131948 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.6 NCCCCCO 2816851 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.6 NCCCNC=O 7020420408 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.6 NCCOCCCl 4787342 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.6 NCCOCCO 2825663 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.6 O=CCCCC=O 2825552 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.6 OCCCCCO 2816866 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.6 OCCNCCO 3645288 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.6 OCCOCCF 3354266 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.6 OCCOCCO 2825668 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.6 OCCSCCO 2826190 [0,1,0,0,0,0|3,0,0]=4 99 B6R1.1 C1=CCCCC1 2825327 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.1 C1=COCCC1 22430465 [0,0,0,1,0,0|1,1,1]=4 101 B6R1.1 C1CCCCC1 2825346 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.1 C1CCNCC1 3585804 [0,0,0,1,0,0|1,0,0]=2 103 B6R1.1 C1CNCCN1 2825375 [0,0,0,1,0,0|2,0,0]=3 104 B6R1.1 C1COCCN1 2825379 [0,0,0,1,0,0|2,0,0]=3 105 B6R1.1 C1OCOCO1 2825422 [0,0,0,1,0,0|2,1,0]=4 106 B6R1.2 BrC1CCCC1 2828971 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.2 ClC1CCCC1 2816877 [0,0,0,1,0,0|2,0,0]=3 108 B6R1.2 N=C1CCCN1 2825342 [0,0,0,1,0,0|2,0,0]=3 109 B6R1.2 NC1CCCC1 2825355 [0,0,0,1,0,0|1,0,0]=2 110 B6R1.2 O=C1CCCC1 2825338 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 O=C1CCCN1 2825350 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.2 O=C1CCCO1 2825356 [0,0,0,1,0,0|3,0,0]=4 113 B6R1.2 O=C1CCNC1 4061482 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 O=C1NCCO1 2825377 [0,0,0,1,0,0|3,0,0]=4 115 B6R1.2 OC1CCCC1 2825370 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.2 OC1CCNC1 22588262 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.2 OC1CCOC1 15296955 [0,0,0,1,0,0|1,1,0]=3 118 B3R0.1 BrCCBr 2931541 [2,0,0,0,0,0|2,0,0]=4 119 B3R0.1 C=CCN 3643807 [2,0,0,0,0,0|0,0,2]=4 120 B3R0.1 CCC#N 1519460 [2,0,0,0,0,0|0,0,2]=4 121 B3R0.1 CCC=O 2825243 [2,0,0,0,0,0|0,1,1]=4 122 B3R0.1 CCCBr 2826200 [2,0,0,0,0,0|1,0,0]=3 123 B3R0.1 CCCI 2843705 [2,0,0,0,0,0|1,0,0]=3 124 B3R0.1 CCCN 2825249 [2,0,0,0,0,0|0,0,0]=2 125 B3R0.1 CNOC 2825501 [2,0,0,0,0,0|1,1,0]=4 126 B3R0.1 CSSC 2816694 [2,0,0,0,0,0|1,0,0]=3 127 B3R0.1 ClCCBr 2819184 [2,0,0,0,0,0|2,0,0]=4 128 B3R0.1 FCCBr 22430481 [2,0,0,0,0,0|2,0,0]=4 129 B3R0.1 N#CCN 22430542 [2,0,0,0,0,0|1,0,1]=4 130 B3R0.1 NCCCl 2825973 [2,0,0,0,0,0|1,0,0]=3 131 B3R0.1 NCCN 3585805 [2,0,0,0,0,0|1,0,0]=3 132 B3R0.1 NCCO 3585939 [2,0,0,0,0,0|0,1,0]=3 133 B3R0.1 NCCS 2119122 [2,0,0,0,0,0|0,0,0]=2 134 B3R0.1 NCCS 22430522 [2,0,0,0,0,0|0,0,0]=2 135 B3R0.1 OCCBr 2826257 [2,0,0,0,0,0|1,1,0]=4 136 B3R0.1 OCCCl 2825315 [2,0,0,0,0,0|1,1,0]=4 137 B3R0.1 OCCF 22430618 [2,0,0,0,0,0|1,1,0]=4 138 B3R0.1 OCCS 2121589 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.1 CC(=O)CCN 1513437 [1,1,0,0,0,0|0,0,1]=3 140 B5R0.1 CC(C)CC=O 2825368 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.1 CC(C)CCBr 2829190 [1,1,0,0,0,0|1,0,0]=3 142 B5R0.1 CC(C)CCCl 2825683 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.1 CC(C)CCN 22430471 [1,1,0,0,0,0|0,0,0]=2 144 B5R0.1 CC(C)CCN 2825383 [1,1,0,0,0,0|0,0,0]=2 145 B5R0.1 CC(C)CCO 2825400 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.1 CC(O)CNN 2630835 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.1 CCCC(=O)Cl 1051694 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.1 CCCC(=O)O 2825391 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 CCCC(C)=O 1366507 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.1 CCC[N+](=O)[O-] 2816671 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.1 CCOC(C)=N 6849557 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.1 CCOC(N)=O 2825409 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.1 CN(C)CCCl 3463724 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.1 CN(C)CCN 1901621 [1,1,0,0,0,0|1,0,0]=3 155 B5R0.1 CN(C)CCO 1275578 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.1 CNCC(C)O 1366510 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.1 COCC(C)O 2816677 [1,1,0,0,0,0|0,1,0]=3 158 B5R0.1 COCC(N)=O 1375171 [1,1,0,0,0,0|0,1,1]=4 159 B5R0.1 COCC(N)=S 2043868 [1,1,0,0,0,0|0,1,1]=4 160 B5R0.1 NC(=O)CCBr 4787247 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.1 NCCC(=O)O 2825410 [1,1,0,0,0,0|0,1,1]=4 162 B5R0.1 O=C(O)CCS 2825675 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.3 BrCC(Br)CBr 22430682 [1,1,0,0,0,0|2,0,0]=4 164 B5R0.3 CCC(=O)CC 2825371 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.3 CCC(C)CO 2816664 [1,1,0,0,0,0|1,0,0]=3 166 B5R0.3 CCC(N)CO 2204675 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.3 CCN(N)CC 1778548 [1,1,0,0,0,0|2,0,0]=4 168 B5R0.3 COC(=O)CN 2826298 [1,1,0,0,0,0|0,1,1]=4 169 B5R0.3 OC(CCl)CCl 2817718 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.3 OCC(O)CCl 2825766 [1,1,0,0,0,0|1,1,0]=4 171 B5R0.3 OCC(O)CO 2825442 [1,1,0,0,0,0|1,1,0]=4 172 B5R0.3 OCC(O)CS 22430414 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.3 COC(=O)CCCCl 2818237 [0,2,0,0,0,0|1,1,0]=4 174 B7R0.3 COC(=O)CCCN 2193664 [0,2,0,0,0,0|0,1,0]=3 175 B7R0.3 COC(=O)CCCO 2826064 [0,2,0,0,0,0|1,1,0]=4 176 B7R0.3 COCCC(=O)NN 2422264 [0,2,0,0,0,0|0,1,1]=4 177 B7R0.5 CC(C)C(O)CCN 1778676 [0,2,0,0,0,0|1,0,0]=3 178 B7R0.7 CCOC(=O)CCN 2820522 [0,2,0,0,0,0|0,1,1]=4 179 B7R0.7 CCOC(=O)CSC 2827017 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.11 CNS(=O)(=O)CCN 1148647 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.11 COCC(C)(C)CN 2204731 [0,2,0,0,0,0|0,1,0]=3 182 B7R0.12 CCN(CC)CCN 2124232 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.4 CC(=O)CCCC#N 1287039 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.4 CC(=O)NCCCN 1137947 [0,2,0,0,0,0|1,0,0]=3 185 B7R0.4 CC(=O)NCCCO 1014746 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.4 CC(=O)NCCON 1366560 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.4 CC(C)CCCCN 2204705 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.4 CC(C)OCCCN 1147317 [0,2,0,0,0,0|0,1,0]=3 189 B7R0.4 CCCCNC(N)=O 1778647 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.4 CNCCCC(C)C 2400637 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.4 CSCCCC(=O)O 2122646 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.4 NCCCCC(=O)O 2817193 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.4 NCCSCC(=O)O 2119083 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.4 NOCCCC(=O)O 6850961 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.8 CC(C)(C)CCCN 1188064 [0,2,0,0,0,0|1,0,0]=3 196 B7R0.8 NCCCS(=O)(=O)O 4270761 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.1 CCCCCCCI 3112189 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.1 CCCCNCCC 1366549 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.1 CCCCNCCO 1868692 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.1 CCCCOCCO 2826077 [0,2,0,0,0,0|1,1,0]=4 201 B7R0.1 COCCOCCCl 2422877 [0,2,0,0,0,0|1,1,0]=4 202 B7R0.1 COCCOCCO 2817276 [0,2,0,0,0,0|1,1,0]=4 203 B7R0.1 NCCCCCCN 22430407 [0,2,0,0,0,0|1,0,0]=3 204 B7R0.1 NCCCCCCN 2826021 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.1 NCCCCCCO 7020210387 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.1 OCCCCCCO 2826079 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.1 OCCCNCCO 2826115 [0,2,0,0,0,0|2,0,0]=4 208 B5R1.1 C1=CCCC1 22430580 [1,0,0,1,0,0|1,0,1]=4 209 B5R1.1 C1CCNC1 2825262 [1,0,0,1,0,0|0,0,0]=2 210 B5R1.1 C1CCSC1 6849773 [1,0,0,1,0,0|0,0,0]=2 211 B5R1.2 BrC1CCC1 22430603 [1,0,0,1,0,0|1,0,0]=3 212 B5R1.2 OC1CNC1 3488477 [1,0,0,1,0,0|2,0,0]=4 213 B5R1.2 OC1COC1 5005520 [1,0,0,1,0,0|1,1,0]=4 214 B5R1.2 OC1CSC1 3354159 [1,0,0,1,0,0|1,0,0]=3 215 B5R1.3 ClCC1CO1 2825444 [1,0,0,1,0,0|1,1,0]=4 216 B5R1.3 N#CC1CC1 3630580 [1,0,0,1,0,0|0,0,2]=4 217 B5R1.3 OCC1CC1 1867144 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.1 CCC1CCCN1 1972918 [0,1,0,1,0,0|1,0,0]=3 219 B7R1.1 CNC1CCSC1 2219680 [0,1,0,1,0,0|0,0,0]=2 220 B7R1.1 COC1=NCCC1 2825537 [0,1,0,1,0,0|0,1,1]=4 221 B7R1.1 COC1CCNC1 1496837 [0,1,0,1,0,0|0,1,0]=3 222 B7R1.1 ClCC1CCCO1 2826142 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.1 NCC1CCCC1 1038369 [0,1,0,1,0,0|1,0,0]=3 224 B7R1.1 NCC1CCCO1 2825583 [0,1,0,1,0,0|1,0,0]=3 225 B7R1.1 OCC1CCCO1 2825610 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.2 O=C1CC(O)CN1 6849800 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.3 BrC1CCCCC1 2832703 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.3 CC1CCCCN1 1188004 [0,1,0,1,0,0|1,0,0]=3 229 B7R1.3 CC1CCCNC1 2825545 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.3 CC1CCNCC1 2825543 [0,1,0,1,0,0|1,0,0]=3 231 B7R1.3 CC1CCNCC1 7018704992 [0,1,0,1,0,0|1,0,0]=3 232 B7R1.3 CC1CNCCN1 2825576 [0,1,0,1,0,0|1,0,0]=3 233 B7R1.3 CC1CNCCO1 1145920 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.3 CC1COCCN1 1145918 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.3 CN1CCNCC1 1047653 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.3 CN1CCOCC1 2825589 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.3 NC1CCCCC1 2825544 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.3 O=C1CCCCC1 2825514 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.3 O=C1CCCNC1 4666770 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.3 O=C1CCNCC1 2829687 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.3 O=C1CCNCC1 4434999 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.3 OC1CCCCC1 2825569 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.3 OC1CCNCC1 2825584 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.3 S=C1NCCCS1 3644541 [0,1,0,1,0,0|0,0,1]=3 245 B7R1.3 [NH3+]C1CCCCC1 7010260176 [0,1,0,1,0,0|1,0,1]=4 246 B7R1.4 CN1CCCC1=O 22430498 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.4 NC1CCCC1O 1778567 [0,1,0,1,0,0|1,0,0]=3 248 B7R1.4 NC1CCSC1=O 2829689 [0,1,0,1,0,0|0,0,1]=3 249 B7R1.25 CC1(CO)COC1 2825602 [0,1,0,1,0,0|1,1,0]=4 250 B7R1.7 OCCNC1CC1 1879019 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.18 N=C(N)C1CSC1 6923920 [0,1,0,1,0,0|0,0,1]=3 252 B7R1.24 C1CCCNCC1 2825542 [0,1,0,1,0,0|1,0,0]=3 253 B7R1.24 C1CCNCNC1 22430574 [0,1,0,1,0,0|1,0,0]=3 254 B7R2.13 C1CC2OC2C1 6849639 [0,0,0,2,0,0|1,1,0]=4 255 B7R2.13 C1NCC2CC12 4061489 [0,0,0,2,0,0|1,0,0]=3