0 B6R0.1 CC(=NC#N)OC TS03771 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CC(CC=O)SC TS32354 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.1 CC(CCO)OC TS04039 [0,0,0,0,0,0|2,1,1]=4 3 B6R0.1 CC(COC)OC TS94098 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CCC(C#CC)O TS31428 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCC(C)C#CC TS03735 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CCC(C)C=CC TS03791 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCC(C)CC#C TS03734 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCC(C)CC=C TS03804 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 CCC(C)CC=O TS31513 [0,0,0,0,0,0|1,1,1]=3 10 B6R0.1 CCC(C)CCBr TS42853 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 CCC(C)CCO TS31615 [0,0,0,0,0,0|1,1,1]=3 12 B6R0.1 CCC(C)N=C=S TS04544 [0,0,0,0,0,0|0,0,0]=0 13 B6R0.1 CCC(C)ON=O TS31635 [0,0,0,0,0,0|2,1,0]=3 14 B6R0.1 CCC(C)SCC TS04755 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.1 CCC(C=CC)O TS03868 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CCC(CC#C)O TS31435 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCC(CC=C)O TS31532 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CCC(CCN)N TS03976 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 CCC(COC)N TS04013 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.1 CCC(COC)O TS04038 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.1 CCCC(C)CBr TS42857 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CCCC(C)CC TS03886 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.1 CCCC(C)CO TS39282 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 CCCC(C)NC TS03920 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CCCC(CC)Br TS42856 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 CCCC(CC)Cl TS04841 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 CCCC(CC)I TS44109 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.1 CCCC(CC)N TS31564 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CCCC(CC)O TS31611 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 CCCC(CC)S TS40939 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.1 CCCC(CC)[Zn+] TS24971 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CC[C@H](C)CCBr TS42859 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.1 CC[C@H](C)CCO TS31612 [0,0,0,0,0,0|1,1,1]=3 34 B6R0.1 COC(=O)N=C=O TS03897 [0,0,0,0,0,0|2,1,1]=4 35 B6R0.1 C[C@@H](CCO)CO TS04034 [0,0,0,0,0,0|2,1,1]=4 36 B6R0.1 C[C@H](CCO)CO TS04033 [0,0,0,0,0,0|2,1,1]=4 37 B5R0.1 CC#CC(C)C TS71688 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(C)CC#C TS03469 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CC(C)CC#N TS71700 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CC(C)CC=O TS71746 [1,0,0,0,0,0|1,1,1]=4 41 B5R0.1 CC(C)CCBr TS09985 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(C)CCCl TS31743 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CC(C)CCI TS18548 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 CC(C)CCN TS71773 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CC(C)CCO TS71804 [1,0,0,0,0,0|1,1,1]=4 46 B5R0.1 CC(C)CCS TS31696 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 CC(C)CC[Zn+] TS49167 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CC(C)CNC TS01600 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CC(C)CNN TS04103 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CC(C)CON TS36090 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 CC(C)CSC TS31693 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CC(C)N=C=O TS71736 [1,0,0,0,0,0|0,1,0]=2 53 B5R0.1 CC(C)N=C=S TS03909 [1,0,0,0,0,0|0,0,0]=1 54 B5R0.1 CC(C)OC=C TS03534 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CC(C)OC=O TS03580 [1,0,0,0,0,0|1,1,1]=4 56 B5R0.1 CC(C)OCCl TS04160 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 CC(C)ON=O TS71823 [1,0,0,0,0,0|2,1,0]=4 58 B5R0.1 CC(C)SC#N TS03914 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CC=CC(C)C TS71719 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 CCNC(C)C TS71777 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 CCOC(C)C TS03595 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CCSC(C)C TS31689 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 C#CCN=C=S TS31403 [1,0,0,0,0,0|0,0,2]=3 64 B5R0.2 C(CBr)N=C=O TS40811 [1,0,0,0,0,0|1,1,0]=3 65 B5R0.2 C(CBr)N=C=S TS42990 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.2 C(CCl)N=C=O TS31715 [1,0,0,0,0,0|1,1,0]=3 67 B5R0.2 C=CCN=C=S TS03827 [1,0,0,0,0,0|0,0,2]=3 68 B5R0.2 CCCC#CC TS71682 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 CCCC#CI TS51737 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 CCCC=NO TS03560 [1,0,0,0,0,0|2,1,0]=4 71 B5R0.2 CCCCC#C TS71687 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.2 CCCCC#N TS71704 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.2 CCCCC=C TS71713 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.2 CCCCC=O TS71764 [1,0,0,0,0,0|1,1,1]=4 75 B5R0.2 CCCCCBr TS00039 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.2 CCCCCCl TS31742 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.2 CCCCCF TS71848 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.2 CCCCCI TS18547 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.2 CCCCCN TS71782 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.2 CCCCCO TS46186 [1,0,0,0,0,0|1,1,1]=4 81 B5R0.2 CCCCCO TS71798 [1,0,0,0,0,0|1,1,1]=4 82 B5R0.2 CCCCCS TS31699 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.2 CCCCC[Si] TS03986 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 CCCCC[Zn+] TS49168 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.2 CCCCNC TS71774 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.2 CCCCNN TS14187 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.2 CCCCNN TS36035 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.2 CCCCON TS36085 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.2 CCCCON TS93805 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.2 CCCCSC TS31691 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.2 CCCC[Mg]Br TS11455 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.2 CCCC[Mg]Cl TS32260 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.2 CCCC[N+]#[C-] TS71702 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.2 CCCC[Sn]=O TS17583 [1,0,0,0,0,0|2,1,0]=4 95 B5R0.2 CCCN=C=O TS03505 [1,0,0,0,0,0|0,1,0]=2 96 B5R0.2 CCCN=C=S TS03915 [1,0,0,0,0,0|0,0,0]=1 97 B5R0.2 CCCNCC TS71783 [1,0,0,0,0,0|1,0,2]=4 98 B5R0.2 CCCOC=C TS29507 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.2 CCCOC=O TS03584 [1,0,0,0,0,0|1,1,1]=4 100 B5R0.2 CCCOCC TS71799 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.2 CCCOCCl TS04165 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.2 CCCON=O TS71824 [1,0,0,0,0,0|2,1,0]=4 103 B5R0.2 CCCSC#N TS03911 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 CCCSCC TS31700 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 CCCSSC TS04934 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.2 CCN=NCC TS03539 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.2 COCN=C=S TS03997 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.3 CC(C#C)NC TS71701 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.3 CC(CCl)CBr TS00026 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.3 CC(CO)C=C TS71745 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.3 CC(CO)CO TS71833 [1,0,0,0,0,0|1,1,1]=4 112 B5R0.3 CC(OC)OC TS71840 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.3 CC([Se]C)[Se]C TS44785 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.3 CCC(=NO)C TS03558 [1,0,0,0,0,0|0,1,1]=3 115 B5R0.3 CCC(C#C)O TS03494 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.3 CCC(C#N)O TS03503 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.3 CCC(C)C#C TS03468 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.3 CCC(C)C=O TS03536 [1,0,0,0,0,0|0,1,1]=3 119 B5R0.3 CCC(C)CBr TS09987 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.3 CCC(C)CC TS03546 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.3 CCC(C)CCl TS31746 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.3 CCC(C)CI TS18546 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.3 CCC(C)CN TS71788 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.3 CCC(C)CO TS03593 [1,0,0,0,0,0|0,1,1]=3 125 B5R0.3 CCC(C)CS TS31698 [1,0,0,0,0,0|0,0,2]=3 126 B5R0.3 CCC(C)NC TS04995 [1,0,0,0,0,0|0,0,2]=3 127 B5R0.3 CCC(C)NC TS71785 [1,0,0,0,0,0|0,0,2]=3 128 B5R0.3 CCC(C)OC TS71803 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.3 CCC(C)ON TS36089 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.3 CCC(C)SC TS31697 [1,0,0,0,0,0|1,0,1]=3 131 B5R0.3 CCC(C)[Mg]Br TS11456 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.3 CCC(C)[Mg]Cl TS32262 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.3 CCC(C=C)O TS71760 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.3 CCC(CBr)Br TS21966 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.3 CCC(CBr)Cl TS13062 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.3 CCC(CBr)O TS10270 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.3 CCC(CC)Br TS09988 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.3 CCC(CC)Cl TS31745 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.3 CCC(CC)F TS71849 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.3 CCC(CC)I TS18549 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.3 CCC(CC)N TS00440 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.3 CCC(CC)O TS00239 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.3 CCC(CC)[Zn+] TS49169 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.3 CCC(CCl)Cl TS36203 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.3 CCC(CN)N TS71807 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.3 CCC(CN)O TS03604 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.3 CCC(CO)N TS03601 [1,0,0,0,0,0|1,1,1]=4 148 B5R0.3 CCC(CS)S TS04932 [1,0,0,0,0,0|1,0,2]=4 149 B5R0.3 CCN(C)CC TS71781 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.3 CCN(C)N=O TS03588 [1,0,0,0,0,0|1,1,0]=3 151 B5R0.3 CC[C@@H](CO)O TS71836 [1,0,0,0,0,0|1,1,1]=4 152 B5R0.3 CC[C@H](C)C#N TS71705 [1,0,0,0,0,0|1,0,1]=3 153 B5R0.3 CC[C@H](C)CBr TS39655 [1,0,0,0,0,0|1,0,1]=3 154 B5R0.3 CC[C@H](C)CCl TS31744 [1,0,0,0,0,0|1,0,1]=3 155 B5R0.3 CC[C@H](CO)N TS03605 [1,0,0,0,0,0|1,1,1]=4 156 B5R0.3 CC[C@H](CO)O TS71838 [1,0,0,0,0,0|1,1,1]=4 157 B5R0.3 CC[SiH](C)CC TS03988 [1,0,0,0,0,0|1,1,1]=4 158 B5R0.3 C[C@@H](CO)CBr TS10268 [1,0,0,0,0,0|1,1,1]=4 159 B5R0.3 C[C@H](CO)CBr TS10271 [1,0,0,0,0,0|1,1,1]=4 160 B7R0.2 CCC(C)CC(=C)C TS04345 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.2 CCC(C)CC(=O)C TS04467 [0,1,0,0,0,0|1,1,1]=4 162 B7R0.2 CCC(C)CC(=O)Cl TS05950 [0,1,0,0,0,0|1,1,1]=4 163 B7R0.2 CCC(C)CC(=O)O TS04597 [0,1,0,0,0,0|1,1,1]=4 164 B7R0.2 CCC(C)CC(C)C TS04502 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.2 CCC(C)CC(C)N TS04563 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.2 CCC(C)CC(C)N TS10102 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.2 CCC(C)CC(C)O TS32253 [0,1,0,0,0,0|1,1,1]=4 168 B7R0.2 CCC(C)NC(=O)N TS04603 [0,1,0,0,0,0|0,1,2]=4 169 B7R0.2 CCC(C)OC(=O)C TS32210 [0,1,0,0,0,0|1,1,1]=4 170 B7R0.2 CCC(C)OC(=O)Cl TS06133 [0,1,0,0,0,0|1,1,1]=4 171 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [0,1,0,0,0,0|1,1,1]=4 172 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [0,1,0,0,0,0|1,1,1]=4 173 B7R0.3 C(C(CBr)Br)N=C=S TS68217 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.3 CCC(C)CC=CC TS31972 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.3 CCC(C)CN=C=S TS36443 [0,1,0,0,0,0|0,0,0]=1 176 B7R0.3 CCC(C)SCC=C TS05618 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.3 CCC=CC(C)CC TS31968 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.3 CCCCC(C)CC TS32121 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.3 CCCNC(C)CC TS04555 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.3 CC[C@H](C)CCCO TS04624 [0,1,0,0,0,0|1,1,1]=4 181 B7R0.5 CC(C)C(C)CC=C TS04343 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.5 CC(C)C(C)N=C=S TS36440 [0,1,0,0,0,0|0,0,0]=1 183 B7R0.5 CCCC(C)C(C)C TS04507 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.5 CCCC(C)C(C)O TS32245 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.5 CCNC(C)C(C)C TS04548 [0,1,0,0,0,0|1,0,2]=4 186 B7R0.7 CC(CCBr)CCBr TS27082 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.7 CC(CCI)CCI TS78357 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.7 CC(CCO)CCO TS04739 [0,1,0,0,0,0|1,1,1]=4 189 B7R0.7 CC(COC)N=C=S TS05680 [0,1,0,0,0,0|0,0,0]=1 190 B7R0.7 CC=CC(=O)N=C=S TS05260 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.7 CCCC(C)C=NO TS32167 [0,1,0,0,0,0|2,1,0]=4 192 B7R0.7 CCCC(C)CC=C TS31971 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.7 CCCC(C)CCC TS04512 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.7 CCCC(C)CCO TS32249 [0,1,0,0,0,0|1,1,1]=4 195 B7R0.7 CCCC(C)N=C=S TS36445 [0,1,0,0,0,0|0,0,0]=1 196 B7R0.7 CCCC(C)OCC TS32250 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.7 CCC[C@@H](C)CCO TS32231 [0,1,0,0,0,0|1,1,1]=4 198 B7R0.7 CCOC(=NC#N)C TS64892 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.7 CCOC(=O)N=C=O TS08726 [0,1,0,0,0,0|1,1,1]=4 200 B7R0.7 CCOC(=O)N=C=S TS08471 [0,1,0,0,0,0|1,0,1]=3 201 B7R0.7 CCOC(C)OCC TS04742 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.10 CCC(C)C(=C)CC TS04351 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.10 CCC(C)C(=CC)C TS04350 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.10 CCC(C)C(=O)CC TS04477 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.10 CCC(C)C(=O)OC TS04590 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.10 CCC(C)C(=O)SC TS05776 [0,1,0,0,0,0|3,0,0]=4 207 B7R0.10 CCC(C)C(C)C=C TS04364 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.10 CCC(C)C(C)C=O TS04460 [0,1,0,0,0,0|1,1,1]=4 209 B7R0.10 CCC(C)C(C)CC TS04508 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.10 CCC(C)C(C)CO TS32242 [0,1,0,0,0,0|1,1,1]=4 211 B7R0.10 CCC(C)C(CC)O TS04626 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.10 CC[C@@H](C)[C@H](CO)N TS22803 [0,1,0,0,0,0|1,1,1]=4 213 B7R0.11 CCC(C)(C)CC=C TS02214 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.11 CCC(C)(C)CCBr TS14343 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.11 CCC(C)(C)CCCl TS36891 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.11 CCC(C)(C)CCO TS32247 [0,1,0,0,0,0|1,1,1]=4 217 B7R0.11 CCC(C)(C)N=C=S TS05486 [0,1,0,0,0,0|0,0,0]=1 218 B7R0.11 CCC(C)(C)OCC TS32244 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.11 CCC(C)(CC=C)O TS04476 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.11 CCCC(C)(C)CC TS32122 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.11 CCCC(C)(CC)Cl TS36886 [0,1,0,0,0,0|2,0,1]=4 222 B7R0.11 CCCC(C)(CC)O TS04623 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.12 CCC(CC)CCO TS32252 [0,1,0,0,0,0|1,1,1]=4 224 B7R0.12 CCC(CC)N=C=S TS36441 [0,1,0,0,0,0|0,0,0]=1 225 B7R0.12 CCC(CC)OC=O TS32223 [0,1,0,0,0,0|1,1,1]=4 226 B7R0.12 CCCC(CC)CC TS04503 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.12 CCCC(CC)CO TS32241 [0,1,0,0,0,0|2,0,1]=4 228 B7R1.1 CCC1CCC=C1 TS03720 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.1 CCC1CCCC1 TS21020 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.1 CCC1CCCC1 TS21612 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.1 CCC1CCCC1 TS35071 [0,0,0,1,0,0|2,0,1]=4 232 B7R1.1 CCC1CCCC1 TS57108 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.1 CCC1CCCC1 TS57519 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.1 CCC1CCCC1 TS62096 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.1 CCC1CCCC1 TS70230 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.1 CCC1CCCC1 TS70344 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.1 CCC1CCCC1 TS75798 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.1 CCC1CCCC1 TS78923 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.1 CCC1CCCC1 TS80049 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.2 CC1CCC(N1)C TS94712 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.2 CC1CCC(O1)C TS47281 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.2 CC1CNC(=S)N1 TS04617 [0,0,0,1,0,0|1,0,2]=4 243 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,0,0,1,0,0|1,1,1]=4 244 B7R1.2 C[C@@H]1CC[C@@H](C1)C TS03800 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.2 C[C@H]1CC[C@@H](C1)C TS31449 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.3 CC1CCCCC1 TS02317 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.3 CC1CCCCO1 TS31512 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.3 CC1CCCNC1 TS70672 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.3 CC1CCNCC1 TS03831 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.3 CC1CCOCO1 TS03947 [0,0,0,1,0,0|1,1,1]=4 251 B7R1.3 C[C@@H]1CCCCN1 TS03835 [0,0,0,1,0,0|1,0,2]=4 252 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.6 C1CC(C1)CCN TS88922 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.22 CCC(C)C1CC1 TS03799 [0,0,0,1,0,0|2,0,1]=4 256 B4R0.1 CC(=C=O)C TS16967 [2,0,0,0,0,0|0,1,1]=4 257 B4R0.1 CC(=N)OC TS31813 [2,0,0,0,0,0|1,0,1]=4 258 B4R0.1 CC(=NN)C TS71612 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.1 CC(=NO)C TS03378 [2,0,0,0,0,0|0,1,1]=4 260 B4R0.1 CC(C)C#C TS71006 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.1 CC(C)C#N TS03177 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.1 CC(C)C=O TS00105 [2,0,0,0,0,0|0,1,1]=4 263 B4R0.1 CC(C)CBr TS59896 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.1 CC(C)CCl TS00045 [2,0,0,0,0,0|1,0,1]=4 265 B4R0.1 CC(C)CI TS48514 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.1 CC(C)CN TS01504 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 CC(C)CN TS04173 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.1 CC(C)CO TS03402 [2,0,0,0,0,0|0,1,1]=4 269 B4R0.1 CC(C)CS TS02444 [2,0,0,0,0,0|0,0,2]=4 270 B4R0.1 CC(C)C[Al+2] TS10535 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.1 CC(C)C[Zn+] TS19475 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.1 CC(C)NC TS56405 [2,0,0,0,0,0|0,0,2]=4 273 B4R0.1 CC(C)NN TS01925 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 CC(C)NO TS04257 [2,0,0,0,0,0|0,1,1]=4 275 B4R0.1 CC(C)NO TS71633 [2,0,0,0,0,0|0,1,1]=4 276 B4R0.1 CC(C)ON TS93804 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.1 CC(C)SC TS71855 [2,0,0,0,0,0|1,0,1]=4 278 B4R0.1 CC(C)[Mg]Br TS07379 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 CC(C)[Mg]Cl TS31622 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 CC(C)[N+]#[C-] TS03159 [2,0,0,0,0,0|0,0,2]=4 281 B4R0.1 CC(CBr)Cl TS41830 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 CC(CBr)O TS06336 [2,0,0,0,0,0|1,1,0]=4 283 B4R0.1 CC(CCl)Cl TS31995 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.1 CC(CCl)O TS03686 [2,0,0,0,0,0|1,1,0]=4 285 B4R0.1 CC(CF)O TS03431 [2,0,0,0,0,0|1,1,0]=4 286 B4R0.1 CC(CN)N TS16685 [2,0,0,0,0,0|1,0,1]=4 287 B4R0.1 CC(CN)O TS71630 [2,0,0,0,0,0|1,1,0]=4 288 B4R0.1 CC(CO)F TS03432 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 CC(CO)N TS04255 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.1 CC(CO)O TS22730 [2,0,0,0,0,0|1,1,0]=4 291 B4R0.1 CC(CS)O TS71863 [2,0,0,0,0,0|1,1,0]=4 292 B4R0.1 CC(CS)S TS04156 [2,0,0,0,0,0|1,0,1]=4 293 B4R0.1 CC(C[NH3+])O TS45584 [2,0,0,0,0,0|1,1,0]=4 294 B4R0.1 CC(S)SC TS04152 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.1 CCC(=C)C TS03363 [2,0,0,0,0,0|0,0,2]=4 296 B4R0.1 CCC(=N)N TS01647 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.1 CCC(=O)C TS71608 [2,0,0,0,0,0|0,1,1]=4 298 B4R0.1 CCC(=S)N TS03610 [2,0,0,0,0,0|1,0,1]=4 299 B4R0.1 CCC(=S)O TS71850 [2,0,0,0,0,0|1,0,1]=4 300 B4R0.1 CCC(C)Br TS39654 [2,0,0,0,0,0|1,0,0]=3 301 B4R0.1 CCC(C)Cl TS71870 [2,0,0,0,0,0|1,0,0]=3 302 B4R0.1 CCC(C)I TS93849 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.1 CCC(C)N TS03382 [2,0,0,0,0,0|0,0,1]=3 304 B4R0.1 CCC(C)O TS03403 [2,0,0,0,0,0|0,1,0]=3 305 B4R0.1 CCC(C)S TS71856 [2,0,0,0,0,0|0,0,1]=3 306 B4R0.1 CCC(C)[Zn+] TS19473 [2,0,0,0,0,0|1,0,0]=3 307 B4R0.1 CCN(C)C TS03385 [2,0,0,0,0,0|1,0,1]=4 308 B4R0.1 CC[C@@H](C)N TS04171 [2,0,0,0,0,0|0,0,1]=3 309 B4R0.1 CC[C@@H](C)O TS03406 [2,0,0,0,0,0|0,1,0]=3 310 B4R0.1 CC[C@H](C)O TS03405 [2,0,0,0,0,0|0,1,0]=3 311 B4R0.1 CC[SiH](C)C TS71815 [2,0,0,0,0,0|0,1,1]=4 312 B4R0.1 CN(C)N=O TS03395 [2,0,0,0,0,0|1,1,0]=4 313 B4R0.1 C[C@@H](CCl)O TS08924 [2,0,0,0,0,0|1,1,0]=4 314 B4R0.1 C[C@@H](CN)N TS45459 [2,0,0,0,0,0|1,0,1]=4 315 B4R0.1 C[C@@H](CN)N TS59565 [2,0,0,0,0,0|1,0,1]=4 316 B4R0.1 C[C@@H](CN)O TS71634 [2,0,0,0,0,0|1,1,0]=4 317 B4R0.1 C[C@@H](CO)Cl TS31359 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.1 C[C@@H](CO)N TS55878 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.1 C[C@@H](CO)O TS46640 [2,0,0,0,0,0|1,1,0]=4 320 B4R0.1 C[C@H](CCl)O TS46601 [2,0,0,0,0,0|1,1,0]=4 321 B4R0.1 C[C@H](CN)N TS31866 [2,0,0,0,0,0|1,0,1]=4 322 B4R0.1 C[C@H](CN)N TS45458 [2,0,0,0,0,0|1,0,1]=4 323 B4R0.1 C[C@H](CN)O TS71631 [2,0,0,0,0,0|1,1,0]=4 324 B4R0.1 C[C@H](CO)Cl TS03688 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 C[C@H](CO)N TS01415 [2,0,0,0,0,0|1,0,1]=4 326 B4R0.1 C[C@H](CO)O TS59482 [2,0,0,0,0,0|1,1,0]=4 327 B4R0.2 CCC=C=C TS70908 [2,0,0,0,0,0|1,0,1]=4 328 B4R0.2 CCC=NS TS31707 [2,0,0,0,0,0|0,0,2]=4 329 B4R0.2 CCCC#C TS70989 [2,0,0,0,0,0|1,0,1]=4 330 B4R0.2 CCCC#N TS03176 [2,0,0,0,0,0|1,0,1]=4 331 B4R0.2 CCCC=O TS71609 [2,0,0,0,0,0|0,1,1]=4 332 B4R0.2 CCCCBr TS37077 [2,0,0,0,0,0|1,0,1]=4 333 B4R0.2 CCCCBr TS93069 [2,0,0,0,0,0|1,0,1]=4 334 B4R0.2 CCCCC TS71613 [2,0,0,0,0,0|1,0,1]=4 335 B4R0.2 CCCCCl TS39594 [2,0,0,0,0,0|1,0,1]=4 336 B4R0.2 CCCCF TS71643 [2,0,0,0,0,0|1,0,1]=4 337 B4R0.2 CCCCI TS48513 [2,0,0,0,0,0|1,0,1]=4 338 B4R0.2 CCCCN TS03383 [2,0,0,0,0,0|1,0,1]=4 339 B4R0.2 CCCCN TS04172 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.2 CCCCO TS03407 [2,0,0,0,0,0|0,1,1]=4 341 B4R0.2 CCCCS TS71854 [2,0,0,0,0,0|0,0,2]=4 342 B4R0.2 CCCC[O-] TS31364 [2,0,0,0,0,0|0,1,1]=4 343 B4R0.2 CCCC[O-] TS64270 [2,0,0,0,0,0|0,1,1]=4 344 B4R0.2 CCCC[O-] TS66591 [2,0,0,0,0,0|0,1,1]=4 345 B4R0.2 CCCC[O-] TS67287 [2,0,0,0,0,0|0,1,1]=4 346 B4R0.2 CCCC[O-] TS82799 [2,0,0,0,0,0|0,1,1]=4 347 B4R0.2 CCCC[O-] TS83727 [2,0,0,0,0,0|0,1,1]=4 348 B4R0.2 CCCC[S-] TS31943 [2,0,0,0,0,0|0,0,2]=4 349 B4R0.2 CCCC[Si] TS71817 [2,0,0,0,0,0|1,0,1]=4 350 B4R0.2 CCCC[Zn+] TS19474 [2,0,0,0,0,0|1,0,1]=4 351 B4R0.2 CCCNC TS03381 [2,0,0,0,0,0|0,0,2]=4 352 B4R0.2 CCCOC TS03404 [2,0,0,0,0,0|1,0,1]=4 353 B4R0.2 CCCO[NH3+] TS04256 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.2 CCCSC TS71857 [2,0,0,0,0,0|1,0,1]=4 355 B4R0.2 CCC[Mg]Br TS07380 [2,0,0,0,0,0|2,0,0]=4 356 B4R0.2 CCC[Mg]Cl TS31623 [2,0,0,0,0,0|2,0,0]=4 357 B4R0.2 CCC[Zn]Br TS50817 [2,0,0,0,0,0|2,0,0]=4 358 B4R0.2 CCN=C=O TS01458 [2,0,0,0,0,0|0,1,0]=3 359 B4R0.2 CCN=C=S TS71772 [2,0,0,0,0,0|0,0,0]=2 360 B4R0.2 CCON=O TS71627 [2,0,0,0,0,0|1,1,0]=4 361 B4R0.2 [2H]OCCC TS65595 [2,0,0,0,0,0|2,0,0]=4 362 B4R0.2 [Li]CCCC TS39912 [2,0,0,0,0,0|1,0,1]=4 363 B6R0.4 CC(C)CN=C=S TS04543 [1,1,0,0,0,0|0,0,0]=2 364 B6R0.5 CC(C)(C)N=C=O TS01706 [1,1,0,0,0,0|0,1,0]=3 365 B6R0.5 CC(C)(C)N=C=S TS04547 [1,1,0,0,0,0|0,0,0]=2 366 B6R0.5 CC=NC(C)(C)C TS03832 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.5 C[Si](C)(C)N=C=S TS36629 [1,1,0,0,0,0|0,1,0]=3 368 B6R0.6 C(CN=C=O)CCl TS04799 [1,1,0,0,0,0|0,1,0]=3 369 B6R0.6 C(CN=C=S)CBr TS14498 [1,1,0,0,0,0|0,0,0]=2 370 B6R0.6 C(CN=C=S)CCl TS06025 [1,1,0,0,0,0|0,0,0]=2 371 B6R0.6 CCCCN=C=O TS93082 [1,1,0,0,0,0|0,1,0]=3 372 B6R0.6 CCCCN=C=S TS04546 [1,1,0,0,0,0|0,0,0]=2 373 B6R0.8 CCC(C)(C#C)N TS05851 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.8 CCC(C)(C#C)O TS31445 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.8 CCC(C)(C)C=C TS31454 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.8 CCC(C)(C)CC TS03879 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.8 CCC(C)(C)CO TS31614 [1,1,0,0,0,0|0,1,1]=4 378 B6R0.8 CCC(C)(C)[Mg]Cl TS36577 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.8 CCC(C)(C=C)O TS31507 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.8 CCC(C)(CC)Br TS60333 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.8 CCC(C)(CC)O TS03968 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.9 CCC(CC)C=C TS03805 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.9 CCC(CC)CBr TS11973 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.9 CCC(CC)CCl TS04847 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.9 CCC(CC)CN TS55314 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.9 CCC(CC)CO TS03962 [1,1,0,0,0,0|0,1,1]=4 387 B6R0.9 CCC(CO)CO TS04037 [1,1,0,0,0,0|0,1,1]=4 388 B6R0.9 CCC(OC)OC TS04030 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.9 CCN(CC)N=O TS31604 [1,1,0,0,0,0|1,1,0]=4 390 B8R0.5 CCCC(C)OC(=S)[S-] TS19468 [0,2,0,0,0,0|1,0,1]=4 391 B8R0.19 CCC(C)OC(=S)NC TS40578 [0,2,0,0,0,0|1,0,1]=4 392 B8R0.1 CCCCC(C)N=C=S TS06883 [0,2,0,0,0,0|0,0,0]=2 393 B8R0.1 CCOC(=O)CN=C=S TS40312 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.3 C[C@@H](C(=O)OC)N=C=O TS05436 [0,2,0,0,0,0|0,1,1]=4 395 B8R0.11 COC(CN=C=O)OC TS05639 [0,2,0,0,0,0|1,1,0]=4 396 B8R0.11 COC(CN=C=S)OC TS07363 [0,2,0,0,0,0|1,0,0]=3 397 B6R1.3 C1CC1N=C=S TS55841 [1,0,0,1,0,0|0,0,0]=2 398 B6R1.1 C1CNC=NC1 TS71709 [1,0,0,1,0,0|1,0,1]=4 399 B6R1.7 CC1(CC1)CO TS71759 [1,0,0,1,0,0|0,1,1]=4 400 B6R1.7 CCC1(CO1)C TS71765 [1,0,0,1,0,0|0,1,1]=4 401 B8R1.18 CC1C(=NC(O1)C)C TS32019 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.8 C1CCC(C1)N=C=O TS59760 [0,1,0,1,0,0|0,1,0]=3 403 B8R1.8 C1CCC(C1)N=C=S TS36250 [0,1,0,1,0,0|0,0,0]=2