0 B5R0.3 C(=O)C(C=O)Br TS00849 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C(=O)C(C=O)Cl TS31730 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C(=O)C(C=O)F TS03615 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C(=O)N(C=O)[Na] TS31363 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C(C(=CBr)Br)O TS21960 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C(C(=CCl)Cl)Cl TS07134 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 C(C(C#N)Br)Br TS44282 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 C(C(C#N)Cl)Cl TS60228 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 C(C(C=O)O)O TS47844 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 C(C(CBr)Br)Br TS54387 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 C(C(CBr)Br)Cl TS25944 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 C(C(CBr)Br)O TS22312 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 C(C(CBr)O)Br TS22311 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 C(C(CBr)O)F TS10809 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 C(C(CBr)O)O TS10534 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 C(C(CCl)Cl)Cl TS07383 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 C(C(CCl)Cl)O TS36383 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 C(C(CCl)O)Cl TS07880 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 C(C(CCl)O)F TS31988 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 C(C(CCl)O)O TS08669 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 C(C(CF)Cl)F TS32129 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 C(C(CF)O)F TS03710 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 C(C(CN)O)N TS46792 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.3 C(C(CO)N)O TS65262 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.3 C(C(CO)N)O TS65263 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.3 C(C(CO)N)O TS74211 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.3 C(C(CO)O)N TS39698 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.3 C(C(CO)O)O TS03653 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.3 C(C(CO)O)O TS64624 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.3 C(C(CO)O)O TS93602 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.3 C(C(CS)O)O TS31781 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.3 C(C(CS)S)O TS47162 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.3 C([C@@H](C=O)O)O TS03618 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.3 C([C@@H](C=O)O)O TS08118 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.3 C([C@@H](CBr)O)O TS10532 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.3 C([C@@H](CCl)O)N TS93716 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.3 C([C@@H](CCl)O)O TS59492 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.3 C([C@@H](CO)O)N TS05290 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.3 C([C@@H](CO)O)N TS08134 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.3 C([C@H](C=O)O)O TS07853 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.3 C([C@H](CBr)O)O TS10533 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.3 C([C@H](CO)O)N TS08079 [0,0,0,0,0,0|2,0,2]=4 42 B5R0.3 C=CC(=O)CBr TS00417 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.3 C=CC(C#C)O TS03461 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.3 C=CC(C=C)O TS46814 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.3 C=CC(CBr)O TS40965 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.3 C=CC(CO)O TS03577 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.3 C=C[C@@H](CO)N TS04992 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.3 C=C[C@@H](CO)O TS03582 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.3 C=C[C@H](CO)N TS04990 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.3 C=C[C@H](CO)O TS03583 [0,0,0,0,0,0|3,0,0]=3 51 B5R0.3 CC(=CN)C=O TS07741 [0,0,0,0,0,0|1,0,2]=3 52 B5R0.3 CC(C#C)NC TS71701 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.3 CC(C=C)C#N TS03444 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.3 CC(C=C)[Mg]Cl TS32133 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.3 CC(CCl)CBr TS00026 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.3 CC(CO)C=C TS71745 [0,0,0,0,0,0|2,0,0]=2 57 B5R0.3 CC(CO)CO TS71833 [0,0,0,0,0,0|1,0,2]=3 58 B5R0.3 CC(OC)OC TS71840 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.3 CC([Se]C)[Se]C TS44785 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.3 CC=C(C)C=C TS03466 [0,0,0,0,0,0|1,0,2]=3 61 B5R0.3 CC=C(C)C=C TS71680 [0,0,0,0,0,0|1,0,2]=3 62 B5R0.3 CC=C(C)C=O TS03488 [0,0,0,0,0,0|0,0,2]=2 63 B5R0.3 CC=C(C=O)Cl TS04052 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.3 CC=C(CO)Br TS40966 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.3 CCC(=C)C=C TS71686 [0,0,0,0,0,0|1,0,2]=3 66 B5R0.3 CCC(=C)CC TS71714 [0,0,0,0,0,0|1,0,3]=4 67 B5R0.3 CCC(=NO)C TS03558 [0,0,0,0,0,0|1,0,2]=3 68 B5R0.3 CCC(=O)C=C TS03496 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.3 CCC(=O)C=O TS03524 [0,0,0,0,0,0|1,0,1]=2 70 B5R0.3 CCC(=O)CBr TS00020 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.3 CCC(=O)CC TS00240 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.3 CCC(=O)CCl TS31736 [0,0,0,0,0,0|2,0,2]=4 73 B5R0.3 CCC(=O)CO TS05538 [0,0,0,0,0,0|1,0,3]=4 74 B5R0.3 CCC(=O)NC TS03562 [0,0,0,0,0,0|3,0,1]=4 75 B5R0.3 CCC(=O)NN TS03589 [0,0,0,0,0,0|3,0,1]=4 76 B5R0.3 CCC(=O)OC TS03587 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.3 CCC(=S)OC TS31680 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.3 CCC(C#C)O TS03494 [0,0,0,0,0,0|2,0,1]=3 79 B5R0.3 CCC(C#N)O TS03503 [0,0,0,0,0,0|2,0,1]=3 80 B5R0.3 CCC(C)C#C TS03468 [0,0,0,0,0,0|1,0,1]=2 81 B5R0.3 CCC(C)C=O TS03536 [0,0,0,0,0,0|0,0,0]=0 82 B5R0.3 CCC(C)CBr TS09987 [0,0,0,0,0,0|1,0,1]=2 83 B5R0.3 CCC(C)CC TS03546 [0,0,0,0,0,0|1,0,1]=2 84 B5R0.3 CCC(C)CCl TS31746 [0,0,0,0,0,0|1,0,1]=2 85 B5R0.3 CCC(C)CI TS18546 [0,0,0,0,0,0|1,0,1]=2 86 B5R0.3 CCC(C)CN TS71788 [0,0,0,0,0,0|1,0,1]=2 87 B5R0.3 CCC(C)CO TS03593 [0,0,0,0,0,0|0,0,2]=2 88 B5R0.3 CCC(C)CS TS31698 [0,0,0,0,0,0|0,1,1]=2 89 B5R0.3 CCC(C)NC TS04995 [0,0,0,0,0,0|2,0,0]=2 90 B5R0.3 CCC(C)NC TS71785 [0,0,0,0,0,0|2,0,0]=2 91 B5R0.3 CCC(C)OC TS71803 [0,0,0,0,0,0|2,0,0]=2 92 B5R0.3 CCC(C)ON TS36089 [0,0,0,0,0,0|2,0,0]=2 93 B5R0.3 CCC(C)SC TS31697 [0,0,0,0,0,0|2,0,0]=2 94 B5R0.3 CCC(C)[Mg]Br TS11456 [0,0,0,0,0,0|2,0,0]=2 95 B5R0.3 CCC(C)[Mg]Cl TS32262 [0,0,0,0,0,0|2,0,0]=2 96 B5R0.3 CCC(C=C)O TS71760 [0,0,0,0,0,0|2,0,0]=2 97 B5R0.3 CCC(CBr)Br TS21966 [0,0,0,0,0,0|2,0,1]=3 98 B5R0.3 CCC(CBr)Cl TS13062 [0,0,0,0,0,0|2,0,1]=3 99 B5R0.3 CCC(CBr)O TS10270 [0,0,0,0,0,0|2,0,1]=3 100 B5R0.3 CCC(CC)Br TS09988 [0,0,0,0,0,0|2,0,1]=3 101 B5R0.3 CCC(CC)Cl TS31745 [0,0,0,0,0,0|2,0,1]=3 102 B5R0.3 CCC(CC)F TS71849 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.3 CCC(CC)I TS18549 [0,0,0,0,0,0|2,0,1]=3 104 B5R0.3 CCC(CC)N TS00440 [0,0,0,0,0,0|2,0,1]=3 105 B5R0.3 CCC(CC)O TS00239 [0,0,0,0,0,0|2,0,1]=3 106 B5R0.3 CCC(CC)[Zn+] TS49169 [0,0,0,0,0,0|2,0,1]=3 107 B5R0.3 CCC(CCl)Cl TS36203 [0,0,0,0,0,0|2,0,1]=3 108 B5R0.3 CCC(CN)N TS71807 [0,0,0,0,0,0|2,0,1]=3 109 B5R0.3 CCC(CN)O TS03604 [0,0,0,0,0,0|2,0,1]=3 110 B5R0.3 CCC(CO)N TS03601 [0,0,0,0,0,0|1,0,2]=3 111 B5R0.3 CCC(CS)S TS04932 [0,0,0,0,0,0|1,1,1]=3 112 B5R0.3 CCN(C)CC TS71781 [0,0,0,0,0,0|2,0,1]=3 113 B5R0.3 CCN(C)N=O TS03588 [0,0,0,0,0,0|2,0,0]=2 114 B5R0.3 CCN(CC)O TS03599 [0,0,0,0,0,0|3,0,1]=4 115 B5R0.3 CCP(CC)Cl TS36025 [0,0,0,0,0,0|3,0,1]=4 116 B5R0.3 CCS(=O)CC TS04104 [0,0,0,0,0,0|3,0,1]=4 117 B5R0.3 CC[Al](CC)Cl TS27650 [0,0,0,0,0,0|3,0,1]=4 118 B5R0.3 CC[C@@H](CO)O TS71836 [0,0,0,0,0,0|1,0,2]=3 119 B5R0.3 CC[C@H](C)C#N TS71705 [0,0,0,0,0,0|1,0,1]=2 120 B5R0.3 CC[C@H](C)CBr TS39655 [0,0,0,0,0,0|1,0,1]=2 121 B5R0.3 CC[C@H](C)CCl TS31744 [0,0,0,0,0,0|1,0,1]=2 122 B5R0.3 CC[C@H](CO)N TS03605 [0,0,0,0,0,0|1,0,2]=3 123 B5R0.3 CC[C@H](CO)O TS71838 [0,0,0,0,0,0|1,0,2]=3 124 B5R0.3 CC[SiH](C)CC TS03988 [0,0,0,0,0,0|1,1,1]=3 125 B5R0.3 CC[Sn](=O)CC TS17584 [0,0,0,0,0,0|3,0,1]=4 126 B5R0.3 COC(=O)C=C TS03529 [0,0,0,0,0,0|3,0,1]=4 127 B5R0.3 COC(=O)C=O TS65230 [0,0,0,0,0,0|2,0,1]=3 128 B5R0.3 CO[SiH](C)OC TS04108 [0,0,0,0,0,0|3,1,0]=4 129 B5R0.3 C[C@@H](CO)CBr TS10268 [0,0,0,0,0,0|1,0,2]=3 130 B5R0.3 C[C@H](CO)CBr TS10271 [0,0,0,0,0,0|1,0,2]=3 131 B4R0.1 B(=S(C)C)Cl TS31862 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.1 B(CC)(O)O TS56140 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 BC(=O)OC TS05627 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 C(=O)C(=O)O TS39873 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 C(=O)C(Cl)Cl TS36583 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 C(C(=O)Br)Br TS65193 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 C(C(=O)Cl)Br TS41828 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 C(C(=O)Cl)Cl TS31992 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 C(C(=O)Cl)F TS64901 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 C(C(=O)Cl)I TS38699 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 C(C(=O)F)Cl TS03738 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.1 C(C(=O)F)F TS71660 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.1 C(C(=O)N)Br TS55147 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 C(C(=O)N)Cl TS71884 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.1 C(C(=O)N)F TS03417 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 C(C(=O)N)I TS39674 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 C(C(=O)N)N TS36806 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.1 C(C(=O)N)N TS39640 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 C(C(=O)N)O TS71626 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 C(C(=O)N)S TS03643 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 C(C(=O)O)Br TS06335 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 C(C(=O)O)Br TS37324 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 C(C(=O)O)Br TS37325 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 C(C(=O)O)Br TS37462 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 C(C(=O)O)Cl TS03683 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.1 C(C(=O)O)F TS03424 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.1 C(C(=O)O)I TS48817 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.1 C(C(=O)O)N TS31897 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.1 C(C(=O)O)N TS62535 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.1 C(C(=O)O)O TS71635 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 C(C(=O)O)S TS03656 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 C(C(=O)[O-])Cl TS04648 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 C(C(=O)[O-])F TS03691 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.1 C(C(=O)[O-])F TS15406 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 C(C(=O)[O-])F TS31484 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.1 C(C(=O)[O-])I TS01955 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.1 C(C(=O)[O-])I TS17396 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.1 C(C(=O)[O-])N TS03744 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.1 C(C(=O)[O-])N TS05962 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.1 C(C(=O)[O-])N TS13250 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.1 C(C(=O)[O-])N TS21558 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.1 C(C(=O)[O-])N TS38376 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 C(C(=O)[O-])N TS50709 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.1 C(C(=O)[O-])N TS93263 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.1 C(C(=O)[O-])N TS93300 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.1 C(C(=O)[O-])O TS03750 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.1 C(C(=O)[O-])S TS31805 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.1 C(C(=O)[O-])S TS32044 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.1 C(C(=O)[O-])S TS36493 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.1 C(C(Br)Br)Br TS73580 [1,0,0,0,0,0|3,0,0]=4 181 B4R0.1 C(C(Cl)Cl)Cl TS36793 [1,0,0,0,0,0|3,0,0]=4 182 B4R0.1 C(C(Cl)Cl)O TS32138 [1,0,0,0,0,0|3,0,0]=4 183 B4R0.1 C(C(F)Br)Br TS38905 [1,0,0,0,0,0|3,0,0]=4 184 B4R0.1 C(C(F)Br)O TS06812 [1,0,0,0,0,0|3,0,0]=4 185 B4R0.1 C(C(F)Cl)Cl TS32265 [1,0,0,0,0,0|3,0,0]=4 186 B4R0.1 C(C(F)Cl)F TS03893 [1,0,0,0,0,0|3,0,0]=4 187 B4R0.1 C(C(F)F)Br TS59947 [1,0,0,0,0,0|3,0,0]=4 188 B4R0.1 C(C(F)F)Cl TS03892 [1,0,0,0,0,0|3,0,0]=4 189 B4R0.1 C(C(F)F)F TS03474 [1,0,0,0,0,0|3,0,0]=4 190 B4R0.1 C(C(F)F)I TS17398 [1,0,0,0,0,0|3,0,0]=4 191 B4R0.1 C(C(F)F)N TS32308 [1,0,0,0,0,0|3,0,0]=4 192 B4R0.1 C(C(F)F)N TS71678 [1,0,0,0,0,0|3,0,0]=4 193 B4R0.1 C(C(F)F)O TS34629 [1,0,0,0,0,0|3,0,0]=4 194 B4R0.1 C([N+](=O)[O-])Br TS37323 [1,0,0,0,0,0|3,0,0]=4 195 B4R0.1 C=C(C=O)Br TS36903 [1,0,0,0,0,0|1,0,2]=4 196 B4R0.1 C=C(CBr)Br TS37831 [1,0,0,0,0,0|2,0,1]=4 197 B4R0.1 C=C(CCl)Br TS41550 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.1 C=C(CCl)Cl TS04228 [1,0,0,0,0,0|2,0,1]=4 199 B4R0.1 C=C(CCl)F TS03685 [1,0,0,0,0,0|2,0,1]=4 200 B4R0.1 C=C(CO)Br TS06156 [1,0,0,0,0,0|2,0,1]=4 201 B4R0.1 C=C(CO)Cl TS00065 [1,0,0,0,0,0|2,0,1]=4 202 B4R0.1 CC(=C)C=C TS00101 [1,0,0,0,0,0|0,0,3]=4 203 B4R0.1 CC(=C)C=O TS71445 [1,0,0,0,0,0|0,0,2]=3 204 B4R0.1 CC(=C)CBr TS65907 [1,0,0,0,0,0|1,0,1]=3 205 B4R0.1 CC(=C)CCl TS00138 [1,0,0,0,0,0|1,0,1]=3 206 B4R0.1 CC(=C)CN TS02169 [1,0,0,0,0,0|1,0,1]=3 207 B4R0.1 CC(=C)CN TS04121 [1,0,0,0,0,0|1,0,1]=3 208 B4R0.1 CC(=C)CO TS00103 [1,0,0,0,0,0|1,0,1]=3 209 B4R0.1 CC(=C)CS TS71814 [1,0,0,0,0,0|1,0,1]=3 210 B4R0.1 CC(=C)OC TS00091 [1,0,0,0,0,0|1,0,1]=3 211 B4R0.1 CC(=C)[Mg]Br TS07128 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.1 CC(=C=O)C TS16967 [1,0,0,0,0,0|0,0,2]=3 213 B4R0.1 CC(=CBr)Br TS37830 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.1 CC(=CBr)C TS36907 [1,0,0,0,0,0|1,0,1]=3 215 B4R0.1 CC(=CCl)Cl TS31870 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.1 CC(=N)OC TS31813 [1,0,0,0,0,0|2,0,1]=4 217 B4R0.1 CC(=NN)C TS71612 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.1 CC(=NO)C TS03378 [1,0,0,0,0,0|1,0,2]=4 219 B4R0.1 CC(=O)C#C TS00427 [1,0,0,0,0,0|0,0,3]=4 220 B4R0.1 CC(=O)C=C TS71414 [1,0,0,0,0,0|0,0,3]=4 221 B4R0.1 CC(=O)C=O TS71593 [1,0,0,0,0,0|1,0,1]=3 222 B4R0.1 CC(=O)CBr TS64992 [1,0,0,0,0,0|1,0,1]=3 223 B4R0.1 CC(=O)CCl TS71869 [1,0,0,0,0,0|1,0,1]=3 224 B4R0.1 CC(=O)CF TS71639 [1,0,0,0,0,0|1,0,1]=3 225 B4R0.1 CC(=O)CO TS39607 [1,0,0,0,0,0|1,0,1]=3 226 B4R0.1 CC(=O)NBr TS37149 [1,0,0,0,0,0|2,0,1]=4 227 B4R0.1 CC(=O)NC TS16313 [1,0,0,0,0,0|1,0,1]=3 228 B4R0.1 CC(=O)NN TS01339 [1,0,0,0,0,0|2,0,1]=4 229 B4R0.1 CC(=O)OC TS03390 [1,0,0,0,0,0|1,0,1]=3 230 B4R0.1 CC(=O)OO TS71636 [1,0,0,0,0,0|2,0,1]=4 231 B4R0.1 CC(=O)SC TS71852 [1,0,0,0,0,0|1,0,1]=3 232 B4R0.1 CC(=[N+]=[N-])C TS03273 [1,0,0,0,0,0|2,0,1]=4 233 B4R0.1 CC(C#C)N TS00055 [1,0,0,0,0,0|1,0,2]=4 234 B4R0.1 CC(C#C)N TS31716 [1,0,0,0,0,0|1,0,2]=4 235 B4R0.1 CC(C#C)O TS09825 [1,0,0,0,0,0|0,0,3]=4 236 B4R0.1 CC(C#N)Br TS05856 [1,0,0,0,0,0|2,0,1]=4 237 B4R0.1 CC(C#N)N TS03358 [1,0,0,0,0,0|2,0,1]=4 238 B4R0.1 CC(C#N)O TS03374 [1,0,0,0,0,0|1,0,2]=4 239 B4R0.1 CC(C)C#C TS71006 [1,0,0,0,0,0|1,0,1]=3 240 B4R0.1 CC(C)C#N TS03177 [1,0,0,0,0,0|1,0,1]=3 241 B4R0.1 CC(C)C=O TS00105 [1,0,0,0,0,0|0,0,0]=1 242 B4R0.1 CC(C)CBr TS59896 [1,0,0,0,0,0|1,0,1]=3 243 B4R0.1 CC(C)CCl TS00045 [1,0,0,0,0,0|1,0,1]=3 244 B4R0.1 CC(C)CI TS48514 [1,0,0,0,0,0|1,0,1]=3 245 B4R0.1 CC(C)CN TS01504 [1,0,0,0,0,0|1,0,1]=3 246 B4R0.1 CC(C)CN TS04173 [1,0,0,0,0,0|1,0,1]=3 247 B4R0.1 CC(C)CO TS03402 [1,0,0,0,0,0|0,0,2]=3 248 B4R0.1 CC(C)CS TS02444 [1,0,0,0,0,0|0,1,1]=3 249 B4R0.1 CC(C)C[Al+2] TS10535 [1,0,0,0,0,0|1,0,1]=3 250 B4R0.1 CC(C)C[Zn+] TS19475 [1,0,0,0,0,0|1,0,1]=3 251 B4R0.1 CC(C)NC TS56405 [1,0,0,0,0,0|1,0,1]=3 252 B4R0.1 CC(C)NN TS01925 [1,0,0,0,0,0|2,0,0]=3 253 B4R0.1 CC(C)NO TS04257 [1,0,0,0,0,0|1,0,1]=3 254 B4R0.1 CC(C)NO TS71633 [1,0,0,0,0,0|1,0,1]=3 255 B4R0.1 CC(C)ON TS93804 [1,0,0,0,0,0|2,0,0]=3 256 B4R0.1 CC(C)SC TS71855 [1,0,0,0,0,0|1,0,1]=3 257 B4R0.1 CC(C)[Mg]Br TS07379 [1,0,0,0,0,0|2,0,0]=3 258 B4R0.1 CC(C)[Mg]Cl TS31622 [1,0,0,0,0,0|2,0,0]=3 259 B4R0.1 CC(C)[N+]#[C-] TS03159 [1,0,0,0,0,0|2,0,0]=3 260 B4R0.1 CC(C=C)Br TS36909 [1,0,0,0,0,0|2,0,0]=3 261 B4R0.1 CC(C=C)Cl TS03635 [1,0,0,0,0,0|2,0,0]=3 262 B4R0.1 CC(C=C)O TS71610 [1,0,0,0,0,0|2,0,0]=3 263 B4R0.1 CC(CBr)Cl TS41830 [1,0,0,0,0,0|2,0,0]=3 264 B4R0.1 CC(CBr)O TS06336 [1,0,0,0,0,0|1,0,1]=3 265 B4R0.1 CC(CCl)Cl TS31995 [1,0,0,0,0,0|2,0,0]=3 266 B4R0.1 CC(CCl)O TS03686 [1,0,0,0,0,0|1,0,1]=3 267 B4R0.1 CC(CF)O TS03431 [1,0,0,0,0,0|1,0,1]=3 268 B4R0.1 CC(CN)N TS16685 [1,0,0,0,0,0|2,0,0]=3 269 B4R0.1 CC(CN)O TS71630 [1,0,0,0,0,0|1,0,1]=3 270 B4R0.1 CC(CO)F TS03432 [1,0,0,0,0,0|2,0,0]=3 271 B4R0.1 CC(CO)N TS04255 [1,0,0,0,0,0|2,0,0]=3 272 B4R0.1 CC(CO)O TS22730 [1,0,0,0,0,0|1,0,1]=3 273 B4R0.1 CC(CS)O TS71863 [1,0,0,0,0,0|1,0,1]=3 274 B4R0.1 CC(CS)S TS04156 [1,0,0,0,0,0|1,1,0]=3 275 B4R0.1 CC(C[NH3+])O TS45584 [1,0,0,0,0,0|1,0,1]=3 276 B4R0.1 CC(S)SC TS04152 [1,0,0,0,0,0|1,1,0]=3 277 B4R0.1 CC=C(C)Br TS36906 [1,0,0,0,0,0|1,0,2]=4 278 B4R0.1 CC=C(C)C TS03364 [1,0,0,0,0,0|1,0,1]=3 279 B4R0.1 CCC(=C)Br TS36908 [1,0,0,0,0,0|1,0,1]=3 280 B4R0.1 CCC(=C)C TS03363 [1,0,0,0,0,0|0,0,1]=2 281 B4R0.1 CCC(=C)Cl TS03633 [1,0,0,0,0,0|1,0,1]=3 282 B4R0.1 CCC(=N)N TS01647 [1,0,0,0,0,0|2,0,1]=4 283 B4R0.1 CCC(=O)Br TS06155 [1,0,0,0,0,0|1,0,1]=3 284 B4R0.1 CCC(=O)C TS71608 [1,0,0,0,0,0|0,0,1]=2 285 B4R0.1 CCC(=O)Cl TS71868 [1,0,0,0,0,0|1,0,1]=3 286 B4R0.1 CCC(=O)F TS71638 [1,0,0,0,0,0|1,0,1]=3 287 B4R0.1 CCC(=O)N TS59820 [1,0,0,0,0,0|1,0,1]=3 288 B4R0.1 CCC(=O)O TS03391 [1,0,0,0,0,0|1,0,1]=3 289 B4R0.1 CCC(=O)[O-] TS03709 [1,0,0,0,0,0|1,0,1]=3 290 B4R0.1 CCC(=O)[O-] TS04307 [1,0,0,0,0,0|1,0,1]=3 291 B4R0.1 CCC(=O)[O-] TS21191 [1,0,0,0,0,0|1,0,1]=3 292 B4R0.1 CCC(=O)[O-] TS28396 [1,0,0,0,0,0|1,0,1]=3 293 B4R0.1 CCC(=O)[O-] TS29272 [1,0,0,0,0,0|1,0,1]=3 294 B4R0.1 CCC(=O)[O-] TS38909 [1,0,0,0,0,0|1,0,1]=3 295 B4R0.1 CCC(=O)[O-] TS48904 [1,0,0,0,0,0|1,0,1]=3 296 B4R0.1 CCC(=O)[O-] TS53540 [1,0,0,0,0,0|1,0,1]=3 297 B4R0.1 CCC(=S)N TS03610 [1,0,0,0,0,0|1,1,1]=4 298 B4R0.1 CCC(=S)O TS71850 [1,0,0,0,0,0|1,0,2]=4 299 B4R0.1 CCC(C)Br TS39654 [1,0,0,0,0,0|1,0,0]=2 300 B4R0.1 CCC(C)Cl TS71870 [1,0,0,0,0,0|1,0,0]=2 301 B4R0.1 CCC(C)I TS93849 [1,0,0,0,0,0|1,0,0]=2 302 B4R0.1 CCC(C)N TS03382 [1,0,0,0,0,0|1,0,0]=2 303 B4R0.1 CCC(C)O TS03403 [1,0,0,0,0,0|0,0,1]=2 304 B4R0.1 CCC(C)S TS71856 [1,0,0,0,0,0|0,1,0]=2 305 B4R0.1 CCC(C)[Zn+] TS19473 [1,0,0,0,0,0|1,0,0]=2 306 B4R0.1 CCN(C)C TS03385 [1,0,0,0,0,0|1,0,1]=3 307 B4R0.1 CCP(Cl)Cl TS36582 [1,0,0,0,0,0|3,0,0]=4 308 B4R0.1 CCS(=O)[O-] TS93504 [1,0,0,0,0,0|2,0,0]=3 309 B4R0.1 CC[C@@H](C)N TS04171 [1,0,0,0,0,0|1,0,0]=2 310 B4R0.1 CC[C@@H](C)O TS03406 [1,0,0,0,0,0|0,0,1]=2 311 B4R0.1 CC[C@H](C)O TS03405 [1,0,0,0,0,0|0,0,1]=2 312 B4R0.1 CC[N+](=O)[O-] TS56409 [1,0,0,0,0,0|2,0,0]=3 313 B4R0.1 CC[SiH](C)C TS71815 [1,0,0,0,0,0|0,1,1]=3 314 B4R0.1 CC[SiH](Cl)Cl TS36387 [1,0,0,0,0,0|2,1,0]=4 315 B4R0.1 CN(C)C=O TS01574 [1,0,0,0,0,0|1,0,0]=2 316 B4R0.1 CN(C)C=O TS03397 [1,0,0,0,0,0|1,0,0]=2 317 B4R0.1 CN(C)C=O TS31811 [1,0,0,0,0,0|1,0,0]=2 318 B4R0.1 CN(C)C=O TS41262 [1,0,0,0,0,0|1,0,0]=2 319 B4R0.1 CN(C)N=O TS03395 [1,0,0,0,0,0|2,0,0]=3 320 B4R0.1 CNC(=O)Cl TS71883 [1,0,0,0,0,0|2,0,1]=4 321 B4R0.1 CNC(=O)N TS03394 [1,0,0,0,0,0|2,0,1]=4 322 B4R0.1 CNN(C)C TS01930 [1,0,0,0,0,0|2,0,1]=4 323 B4R0.1 COC(=O)Cl TS03684 [1,0,0,0,0,0|2,0,1]=4 324 B4R0.1 COC(=O)N TS71628 [1,0,0,0,0,0|2,0,1]=4 325 B4R0.1 COC(=O)[O-] TS36560 [1,0,0,0,0,0|2,0,1]=4 326 B4R0.1 COC(Cl)Cl TS32137 [1,0,0,0,0,0|3,0,0]=4 327 B4R0.1 CO[N+](=O)[O-] TS03416 [1,0,0,0,0,0|3,0,0]=4 328 B4R0.1 CO[SiH](C)C TS03629 [1,0,0,0,0,0|1,1,1]=4 329 B4R0.1 CSC(=O)Cl TS31865 [1,0,0,0,0,0|2,0,1]=4 330 B4R0.1 C[C@@H](C#C)O TS09824 [1,0,0,0,0,0|0,0,3]=4 331 B4R0.1 C[C@@H](CCl)O TS08924 [1,0,0,0,0,0|1,0,1]=3 332 B4R0.1 C[C@@H](CN)N TS45459 [1,0,0,0,0,0|2,0,0]=3 333 B4R0.1 C[C@@H](CN)N TS59565 [1,0,0,0,0,0|2,0,0]=3 334 B4R0.1 C[C@@H](CN)O TS71634 [1,0,0,0,0,0|1,0,1]=3 335 B4R0.1 C[C@@H](CO)Cl TS31359 [1,0,0,0,0,0|2,0,0]=3 336 B4R0.1 C[C@@H](CO)N TS55878 [1,0,0,0,0,0|2,0,0]=3 337 B4R0.1 C[C@@H](CO)O TS46640 [1,0,0,0,0,0|1,0,1]=3 338 B4R0.1 C[C@H](C#C)O TS01975 [1,0,0,0,0,0|0,0,3]=4 339 B4R0.1 C[C@H](CCl)O TS46601 [1,0,0,0,0,0|1,0,1]=3 340 B4R0.1 C[C@H](CN)N TS31866 [1,0,0,0,0,0|2,0,0]=3 341 B4R0.1 C[C@H](CN)N TS45458 [1,0,0,0,0,0|2,0,0]=3 342 B4R0.1 C[C@H](CN)O TS71631 [1,0,0,0,0,0|1,0,1]=3 343 B4R0.1 C[C@H](CO)Cl TS03688 [1,0,0,0,0,0|2,0,0]=3 344 B4R0.1 C[C@H](CO)N TS01415 [1,0,0,0,0,0|2,0,0]=3 345 B4R0.1 C[C@H](CO)O TS59482 [1,0,0,0,0,0|1,0,1]=3 346 B4R0.1 C[N+](=CBr)C TS22154 [1,0,0,0,0,0|2,0,0]=3 347 B4R0.1 C[N+](=CCl)C TS05301 [1,0,0,0,0,0|2,0,0]=3 348 B4R0.1 C[SiH](C)CCl TS04166 [1,0,0,0,0,0|1,1,1]=4 349 B4R0.2 C#CCCN TS31717 [1,0,0,0,0,0|2,0,1]=4 350 B4R0.2 C#CCCO TS09504 [1,0,0,0,0,0|2,0,1]=4 351 B4R0.2 C(C=CBr)Br TS37833 [1,0,0,0,0,0|2,0,1]=4 352 B4R0.2 C(C=CCl)Cl TS04226 [1,0,0,0,0,0|2,0,1]=4 353 B4R0.2 C(C=CCl)Cl TS04227 [1,0,0,0,0,0|2,0,1]=4 354 B4R0.2 C(C=CCl)Cl TS92961 [1,0,0,0,0,0|2,0,1]=4 355 B4R0.2 C(C=O)C=O TS71592 [1,0,0,0,0,0|1,0,1]=3 356 B4R0.2 C(CBr)CBr TS46797 [1,0,0,0,0,0|2,0,1]=4 357 B4R0.2 C(CBr)CI TS27842 [1,0,0,0,0,0|2,0,1]=4 358 B4R0.2 C(CCl)C#N TS03611 [1,0,0,0,0,0|2,0,1]=4 359 B4R0.2 C(CCl)C=O TS71867 [1,0,0,0,0,0|1,0,0]=2 360 B4R0.2 C(CCl)CBr TS46925 [1,0,0,0,0,0|2,0,1]=4 361 B4R0.2 C(CCl)CCl TS31994 [1,0,0,0,0,0|2,0,1]=4 362 B4R0.2 C(CF)CBr TS37464 [1,0,0,0,0,0|2,0,1]=4 363 B4R0.2 C(CF)CF TS71664 [1,0,0,0,0,0|2,0,1]=4 364 B4R0.2 C(CI)CI TS93960 [1,0,0,0,0,0|2,0,1]=4 365 B4R0.2 C(CN)C#N TS03335 [1,0,0,0,0,0|2,0,1]=4 366 B4R0.2 C(CN)CBr TS09494 [1,0,0,0,0,0|2,0,1]=4 367 B4R0.2 C(CN)CCl TS00183 [1,0,0,0,0,0|2,0,1]=4 368 B4R0.2 C(CN)CF TS04405 [1,0,0,0,0,0|2,0,1]=4 369 B4R0.2 C(CN)CN TS07879 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.2 C(CN)CN TS34480 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.2 C(CN)CN TS40489 [1,0,0,0,0,0|2,0,1]=4 372 B4R0.2 C(CN)CO TS04258 [1,0,0,0,0,0|1,0,2]=4 373 B4R0.2 C(CN)CO TS08858 [1,0,0,0,0,0|1,0,2]=4 374 B4R0.2 C(CO)C#N TS02797 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.2 C(CO)CBr TS59604 [1,0,0,0,0,0|1,0,2]=4 376 B4R0.2 C(CO)CCl TS02021 [1,0,0,0,0,0|1,0,2]=4 377 B4R0.2 C(CO)CF TS00151 [1,0,0,0,0,0|1,0,2]=4 378 B4R0.2 C(CO)CI TS70633 [1,0,0,0,0,0|1,0,2]=4 379 B4R0.2 C(CO)CO TS00379 [1,0,0,0,0,0|1,0,2]=4 380 B4R0.2 C(CO)NN TS55378 [1,0,0,0,0,0|3,0,0]=4 381 B4R0.2 C(CP)CP TS04129 [1,0,0,0,0,0|2,0,1]=4 382 B4R0.2 C(CS)C#N TS71771 [1,0,0,0,0,0|2,0,1]=4 383 B4R0.2 C(CS)CCl TS31868 [1,0,0,0,0,0|1,1,1]=4 384 B4R0.2 C(CS)CS TS04153 [1,0,0,0,0,0|1,1,1]=4 385 B4R0.2 C=CCC#C TS66005 [1,0,0,0,0,0|1,0,2]=4 386 B4R0.2 C=CCC#N TS70615 [1,0,0,0,0,0|2,0,1]=4 387 B4R0.2 C=CCC=C TS70907 [1,0,0,0,0,0|1,0,2]=4 388 B4R0.2 C=CCCBr TS03033 [1,0,0,0,0,0|2,0,0]=3 389 B4R0.2 C=CCCCl TS03638 [1,0,0,0,0,0|2,0,0]=3 390 B4R0.2 C=CCCN TS01596 [1,0,0,0,0,0|2,0,0]=3 391 B4R0.2 C=CCCN TS04120 [1,0,0,0,0,0|2,0,0]=3 392 B4R0.2 C=CCCO TS71598 [1,0,0,0,0,0|2,0,0]=3 393 B4R0.2 C=CCNN TS55729 [1,0,0,0,0,0|3,0,0]=4 394 B4R0.2 C=CCON TS31812 [1,0,0,0,0,0|3,0,0]=4 395 B4R0.2 C=CC[Mg]Br TS07129 [1,0,0,0,0,0|3,0,0]=4 396 B4R0.2 C=CC[Pd]Cl TS79784 [1,0,0,0,0,0|3,0,0]=4 397 B4R0.2 C=CNC=O TS03372 [1,0,0,0,0,0|1,0,2]=4 398 B4R0.2 C=COC=O TS71590 [1,0,0,0,0,0|1,0,2]=4 399 B4R0.2 CC=CC=C TS06116 [1,0,0,0,0,0|1,0,2]=4 400 B4R0.2 CC=CC=C TS71007 [1,0,0,0,0,0|1,0,2]=4 401 B4R0.2 CC=CC=O TS16977 [1,0,0,0,0,0|0,0,2]=3 402 B4R0.2 CC=CCCl TS03634 [1,0,0,0,0,0|2,0,1]=4 403 B4R0.2 CC=CCN TS01395 [1,0,0,0,0,0|2,0,1]=4 404 B4R0.2 CC=CCO TS71604 [1,0,0,0,0,0|2,0,1]=4 405 B4R0.2 CC=COC TS71611 [1,0,0,0,0,0|2,0,1]=4 406 B4R0.2 CCC#CBr TS05800 [1,0,0,0,0,0|1,0,2]=4 407 B4R0.2 CCC#CC TS03009 [1,0,0,0,0,0|1,0,2]=4 408 B4R0.2 CCC#CI TS47811 [1,0,0,0,0,0|1,0,2]=4 409 B4R0.2 CCC=C=C TS70908 [1,0,0,0,0,0|1,0,2]=4 410 B4R0.2 CCC=CBr TS33033 [1,0,0,0,0,0|1,0,1]=3 411 B4R0.2 CCC=CC TS03361 [1,0,0,0,0,0|1,0,1]=3 412 B4R0.2 CCC=CCl TS03636 [1,0,0,0,0,0|1,0,1]=3 413 B4R0.2 CCC=CCl TS03637 [1,0,0,0,0,0|1,0,1]=3 414 B4R0.2 CCC=NS TS31707 [1,0,0,0,0,0|1,1,1]=4 415 B4R0.2 CCCC#C TS70989 [1,0,0,0,0,0|1,0,1]=3 416 B4R0.2 CCCC#N TS03176 [1,0,0,0,0,0|1,0,1]=3 417 B4R0.2 CCCC=O TS71609 [1,0,0,0,0,0|0,0,0]=1 418 B4R0.2 CCCCBr TS37077 [1,0,0,0,0,0|1,0,1]=3 419 B4R0.2 CCCCBr TS93069 [1,0,0,0,0,0|1,0,1]=3 420 B4R0.2 CCCCC TS71613 [1,0,0,0,0,0|1,0,1]=3 421 B4R0.2 CCCCCl TS39594 [1,0,0,0,0,0|1,0,1]=3 422 B4R0.2 CCCCF TS71643 [1,0,0,0,0,0|1,0,1]=3 423 B4R0.2 CCCCI TS48513 [1,0,0,0,0,0|1,0,1]=3 424 B4R0.2 CCCCN TS03383 [1,0,0,0,0,0|1,0,1]=3 425 B4R0.2 CCCCN TS04172 [1,0,0,0,0,0|1,0,1]=3 426 B4R0.2 CCCCO TS03407 [1,0,0,0,0,0|0,0,2]=3 427 B4R0.2 CCCCS TS71854 [1,0,0,0,0,0|0,1,1]=3 428 B4R0.2 CCCC[O-] TS31364 [1,0,0,0,0,0|0,0,2]=3 429 B4R0.2 CCCC[O-] TS64270 [1,0,0,0,0,0|0,0,2]=3 430 B4R0.2 CCCC[O-] TS66591 [1,0,0,0,0,0|0,0,2]=3 431 B4R0.2 CCCC[O-] TS67287 [1,0,0,0,0,0|0,0,2]=3 432 B4R0.2 CCCC[O-] TS82799 [1,0,0,0,0,0|0,0,2]=3 433 B4R0.2 CCCC[O-] TS83727 [1,0,0,0,0,0|0,0,2]=3 434 B4R0.2 CCCC[S-] TS31943 [1,0,0,0,0,0|0,1,1]=3 435 B4R0.2 CCCC[Si] TS71817 [1,0,0,0,0,0|1,0,1]=3 436 B4R0.2 CCCC[Zn+] TS19474 [1,0,0,0,0,0|1,0,1]=3 437 B4R0.2 CCCNC TS03381 [1,0,0,0,0,0|2,0,0]=3 438 B4R0.2 CCCOC TS03404 [1,0,0,0,0,0|2,0,0]=3 439 B4R0.2 CCCO[NH3+] TS04256 [1,0,0,0,0,0|2,0,0]=3 440 B4R0.2 CCCSC TS71857 [1,0,0,0,0,0|2,0,0]=3 441 B4R0.2 CCC[Mg]Br TS07380 [1,0,0,0,0,0|2,0,0]=3 442 B4R0.2 CCC[Mg]Cl TS31623 [1,0,0,0,0,0|2,0,0]=3 443 B4R0.2 CCC[Zn]Br TS50817 [1,0,0,0,0,0|2,0,0]=3 444 B4R0.2 CCN=C=O TS01458 [1,0,0,0,0,0|1,0,1]=3 445 B4R0.2 CCN=C=S TS71772 [1,0,0,0,0,0|1,1,1]=4 446 B4R0.2 CCNC=O TS03379 [1,0,0,0,0,0|1,0,0]=2 447 B4R0.2 CCNCC TS03384 [1,0,0,0,0,0|2,0,1]=4 448 B4R0.2 CCNCC TS04169 [1,0,0,0,0,0|2,0,1]=4 449 B4R0.2 CCNCC TS05835 [1,0,0,0,0,0|2,0,1]=4 450 B4R0.2 CCNCC TS10368 [1,0,0,0,0,0|2,0,1]=4 451 B4R0.2 CCNCC TS12959 [1,0,0,0,0,0|2,0,1]=4 452 B4R0.2 CCOC#C TS71444 [1,0,0,0,0,0|2,0,1]=4 453 B4R0.2 CCOC=C TS71601 [1,0,0,0,0,0|2,0,0]=3 454 B4R0.2 CCOC=O TS03393 [1,0,0,0,0,0|1,0,0]=2 455 B4R0.2 CCOCC TS03401 [1,0,0,0,0,0|2,0,1]=4 456 B4R0.2 CCOCC TS42371 [1,0,0,0,0,0|2,0,1]=4 457 B4R0.2 CCOCC TS43884 [1,0,0,0,0,0|2,0,1]=4 458 B4R0.2 CCOCC TS68115 [1,0,0,0,0,0|2,0,1]=4 459 B4R0.2 CCOCC TS79120 [1,0,0,0,0,0|2,0,1]=4 460 B4R0.2 CCOCCl TS39832 [1,0,0,0,0,0|2,0,1]=4 461 B4R0.2 CCON=O TS71627 [1,0,0,0,0,0|2,0,0]=3 462 B4R0.2 CCPCC TS71830 [1,0,0,0,0,0|2,0,1]=4 463 B4R0.2 CCSC#N TS71770 [1,0,0,0,0,0|2,0,1]=4 464 B4R0.2 CCSC=C TS71813 [1,0,0,0,0,0|2,0,0]=3 465 B4R0.2 CCSCC TS71853 [1,0,0,0,0,0|2,0,1]=4 466 B4R0.2 CCSSC TS04155 [1,0,0,0,0,0|3,0,0]=4 467 B4R0.2 CC[Al+]CC TS32445 [1,0,0,0,0,0|2,0,1]=4 468 B4R0.2 CC[Al+]CC TS36486 [1,0,0,0,0,0|2,0,1]=4 469 B4R0.2 CC[Cd]CC TS45221 [1,0,0,0,0,0|2,0,1]=4 470 B4R0.2 CC[Ga+]CC TS42641 [1,0,0,0,0,0|2,0,1]=4 471 B4R0.2 CC[GeH2]CC TS36741 [1,0,0,0,0,0|1,1,1]=4 472 B4R0.2 CC[Hg]CC TS68206 [1,0,0,0,0,0|2,0,1]=4 473 B4R0.2 CC[Mg]CC TS71690 [1,0,0,0,0,0|2,0,1]=4 474 B4R0.2 CC[N-]CC TS71656 [1,0,0,0,0,0|2,0,1]=4 475 B4R0.2 CC[Se]CC TS37078 [1,0,0,0,0,0|2,0,1]=4 476 B4R0.2 CC[SiH2]CC TS71816 [1,0,0,0,0,0|1,1,1]=4 477 B4R0.2 CC[Te]CC TS15549 [1,0,0,0,0,0|2,0,1]=4 478 B4R0.2 CC[Zn]CC TS04983 [1,0,0,0,0,0|2,0,1]=4 479 B4R0.2 CNCC#N TS03334 [1,0,0,0,0,0|2,0,1]=4 480 B4R0.2 CNCC#N TS12514 [1,0,0,0,0,0|2,0,1]=4 481 B4R0.2 CNCC#N TS56312 [1,0,0,0,0,0|2,0,1]=4 482 B4R0.2 CNCCN TS03408 [1,0,0,0,0,0|2,0,1]=4 483 B4R0.2 CNCCO TS00099 [1,0,0,0,0,0|1,0,2]=4 484 B4R0.2 COCC#C TS09815 [1,0,0,0,0,0|2,0,1]=4 485 B4R0.2 COCC#N TS03371 [1,0,0,0,0,0|2,0,1]=4 486 B4R0.2 COCC=C TS94286 [1,0,0,0,0,0|2,0,0]=3 487 B4R0.2 COCC=O TS03388 [1,0,0,0,0,0|1,0,0]=2 488 B4R0.2 COCCBr TS65036 [1,0,0,0,0,0|2,0,1]=4 489 B4R0.2 COCCBr TS93982 [1,0,0,0,0,0|2,0,1]=4 490 B4R0.2 COCCCl TS03687 [1,0,0,0,0,0|2,0,1]=4 491 B4R0.2 COCCN TS71632 [1,0,0,0,0,0|2,0,1]=4 492 B4R0.2 COCCO TS71642 [1,0,0,0,0,0|1,0,2]=4 493 B4R0.2 COCC[O-] TS03754 [1,0,0,0,0,0|1,0,2]=4 494 B4R0.2 COCC[O-] TS44727 [1,0,0,0,0,0|1,0,2]=4 495 B4R0.2 COCC[O-] TS45853 [1,0,0,0,0,0|1,0,2]=4 496 B4R0.2 COCOC TS08721 [1,0,0,0,0,0|3,0,0]=4 497 B4R0.2 CSCC=C TS71811 [1,0,0,0,0,0|2,0,0]=3 498 B4R0.2 CSCCCl TS31867 [1,0,0,0,0,0|2,0,1]=4 499 B4R0.2 CSCCCl TS93571 [1,0,0,0,0,0|2,0,1]=4 500 B4R0.2 CSCCN TS03646 [1,0,0,0,0,0|2,0,1]=4 501 B4R0.2 CSCCO TS71862 [1,0,0,0,0,0|1,0,2]=4 502 B4R0.2 CSCSC TS04154 [1,0,0,0,0,0|3,0,0]=4 503 B4R0.2 [2H]OCCC TS65595 [1,0,0,0,0,0|2,0,0]=3 504 B4R0.2 [Li]CCCC TS39912 [1,0,0,0,0,0|1,0,1]=3 505 B6R0.1 C(CBr)C(CBr)Br TS35747 [0,1,0,0,0,0|2,0,1]=4 506 B6R0.1 C(CBr)C(CCl)Cl TS38906 [0,1,0,0,0,0|2,0,1]=4 507 B6R0.1 C(CCl)C(CCl)O TS06819 [0,1,0,0,0,0|2,0,1]=4 508 B6R0.1 C(CO)C(CO)O TS04081 [0,1,0,0,0,0|1,0,2]=4 509 B6R0.1 C(CO)C(CO)O TS94708 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.1 C(CO)[C@@H](CO)O TS94709 [0,1,0,0,0,0|1,0,2]=4 511 B6R0.1 C(CO)[C@H](CCl)O TS36026 [0,1,0,0,0,0|2,0,1]=4 512 B6R0.1 C(CO)[C@H](CO)O TS04082 [0,1,0,0,0,0|1,0,2]=4 513 B6R0.1 C=CC(CCO)N TS31560 [0,1,0,0,0,0|2,0,0]=3 514 B6R0.1 C=CCC(C=C)O TS31423 [0,1,0,0,0,0|2,0,1]=4 515 B6R0.1 CC(=CCCl)C=O TS04765 [0,1,0,0,0,0|0,0,2]=3 516 B6R0.1 CC(CC=C)C=C TS31383 [0,1,0,0,0,0|1,0,1]=3 517 B6R0.1 CC(CC=O)SC TS32354 [0,1,0,0,0,0|1,0,0]=2 518 B6R0.1 CC(CCO)C=C TS31514 [0,1,0,0,0,0|1,0,0]=2 519 B6R0.1 CC(CCO)OC TS04039 [0,1,0,0,0,0|2,0,0]=3 520 B6R0.1 CC(COC)OC TS94098 [0,1,0,0,0,0|2,0,0]=3 521 B6R0.1 CC=C(C)CC=C TS03736 [0,1,0,0,0,0|1,0,2]=4 522 B6R0.1 CC=C(C)CCO TS03864 [0,1,0,0,0,0|1,0,1]=3 523 B6R0.1 CC=CC(=CC)C TS31385 [0,1,0,0,0,0|1,0,2]=4 524 B6R0.1 CCC(=O)C=CC TS31436 [0,1,0,0,0,0|2,0,1]=4 525 B6R0.1 CCC(=O)OC=C TS31498 [0,1,0,0,0,0|2,0,1]=4 526 B6R0.1 CCC(C#CC)O TS31428 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.1 CCC(C)C#CC TS03735 [0,1,0,0,0,0|1,0,1]=3 528 B6R0.1 CCC(C)C=CC TS03791 [0,1,0,0,0,0|1,0,0]=2 529 B6R0.1 CCC(C)CC#C TS03734 [0,1,0,0,0,0|1,0,1]=3 530 B6R0.1 CCC(C)CC=C TS03804 [0,1,0,0,0,0|1,0,0]=2 531 B6R0.1 CCC(C)CC=O TS31513 [0,1,0,0,0,0|0,0,0]=1 532 B6R0.1 CCC(C)CCBr TS42853 [0,1,0,0,0,0|1,0,1]=3 533 B6R0.1 CCC(C)CCO TS31615 [0,1,0,0,0,0|0,0,2]=3 534 B6R0.1 CCC(C)N=C=S TS04544 [0,1,0,0,0,0|0,1,1]=3 535 B6R0.1 CCC(C)ON=O TS31635 [0,1,0,0,0,0|1,0,0]=2 536 B6R0.1 CCC(C)SCC TS04755 [0,1,0,0,0,0|1,0,1]=3 537 B6R0.1 CCC(C=CC)O TS03868 [0,1,0,0,0,0|2,0,0]=3 538 B6R0.1 CCC(CC#C)O TS31435 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.1 CCC(CC=C)O TS31532 [0,1,0,0,0,0|2,0,0]=3 540 B6R0.1 CCC(CCN)N TS03976 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.1 CCC(COC)N TS04013 [0,1,0,0,0,0|1,0,2]=4 542 B6R0.1 CCC(COC)O TS04038 [0,1,0,0,0,0|1,0,2]=4 543 B6R0.1 CCC=C(C)C=O TS03779 [0,1,0,0,0,0|0,0,1]=2 544 B6R0.1 CCCC(=C)C=O TS31425 [0,1,0,0,0,0|0,0,2]=3 545 B6R0.1 CCCC(=CC)C TS31455 [0,1,0,0,0,0|1,0,1]=3 546 B6R0.1 CCCC(C#C)O TS31446 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.1 CCCC(C)C#C TS31387 [0,1,0,0,0,0|1,0,1]=3 548 B6R0.1 CCCC(C)C=C TS03798 [0,1,0,0,0,0|1,0,0]=2 549 B6R0.1 CCCC(C)C=O TS01565 [0,1,0,0,0,0|0,0,0]=1 550 B6R0.1 CCCC(C)CBr TS42857 [0,1,0,0,0,0|1,0,1]=3 551 B6R0.1 CCCC(C)CC TS03886 [0,1,0,0,0,0|1,0,1]=3 552 B6R0.1 CCCC(C)CO TS39282 [0,1,0,0,0,0|0,0,2]=3 553 B6R0.1 CCCC(C)NC TS03920 [0,1,0,0,0,0|2,0,0]=3 554 B6R0.1 CCCC(C=C)O TS03859 [0,1,0,0,0,0|2,0,0]=3 555 B6R0.1 CCCC(CBr)Br TS52925 [0,1,0,0,0,0|2,0,1]=4 556 B6R0.1 CCCC(CC)Br TS42856 [0,1,0,0,0,0|2,0,1]=4 557 B6R0.1 CCCC(CC)Cl TS04841 [0,1,0,0,0,0|2,0,1]=4 558 B6R0.1 CCCC(CC)I TS44109 [0,1,0,0,0,0|2,0,1]=4 559 B6R0.1 CCCC(CC)N TS31564 [0,1,0,0,0,0|2,0,1]=4 560 B6R0.1 CCCC(CC)O TS31611 [0,1,0,0,0,0|2,0,1]=4 561 B6R0.1 CCCC(CC)S TS40939 [0,1,0,0,0,0|2,0,1]=4 562 B6R0.1 CCCC(CC)[Zn+] TS24971 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.1 CCCC(CCl)Cl TS06553 [0,1,0,0,0,0|2,0,1]=4 564 B6R0.1 CCCC(CO)O TS04026 [0,1,0,0,0,0|1,0,2]=4 565 B6R0.1 CCCN(C)N=O TS31599 [0,1,0,0,0,0|2,0,0]=3 566 B6R0.1 CCC[C@@H](CO)N TS04002 [0,1,0,0,0,0|1,0,2]=4 567 B6R0.1 CCC[C@@H](CO)O TS04042 [0,1,0,0,0,0|1,0,2]=4 568 B6R0.1 CCC[C@H](CO)N TS04000 [0,1,0,0,0,0|1,0,2]=4 569 B6R0.1 CCNC(=O)C=C TS03826 [0,1,0,0,0,0|2,0,1]=4 570 B6R0.1 CCOC(=O)C=C TS33216 [0,1,0,0,0,0|2,0,1]=4 571 B6R0.1 CCOC(=O)C=O TS56148 [0,1,0,0,0,0|1,0,1]=3 572 B6R0.1 CCOC(CBr)Br TS25152 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.1 CCOC(CCl)Cl TS06818 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.1 CC[C@H](C)CCBr TS42859 [0,1,0,0,0,0|1,0,1]=3 575 B6R0.1 CC[C@H](C)CCO TS31612 [0,1,0,0,0,0|0,0,2]=3 576 B6R0.1 CNCC(CO)O TS04078 [0,1,0,0,0,0|1,0,2]=4 577 B6R0.1 COCC(CCl)O TS36028 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.1 COCC(CF)O TS31763 [0,1,0,0,0,0|2,0,1]=4 579 B6R0.1 COCC(CO)O TS04080 [0,1,0,0,0,0|1,0,2]=4 580 B6R0.1 CSCC(CO)O TS32525 [0,1,0,0,0,0|1,0,2]=4 581 B6R0.1 C[C@@H](CCO)CO TS04034 [0,1,0,0,0,0|0,0,2]=3 582 B6R0.1 C[C@H](CCO)CO TS04033 [0,1,0,0,0,0|0,0,2]=3 583 B6R0.3 B(C(C)CC)(O)O TS85136 [0,1,0,0,0,0|1,0,1]=3 584 B6R0.3 C#CC(C(=O)O)O TS31488 [0,1,0,0,0,0|1,0,2]=4 585 B6R0.3 C(#N)C(C(=O)N)N TS32775 [0,1,0,0,0,0|2,0,1]=4 586 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [0,1,0,0,0,0|2,0,1]=4 587 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [0,1,0,0,0,0|2,0,1]=4 588 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [0,1,0,0,0,0|2,0,1]=4 589 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [0,1,0,0,0,0|2,0,1]=4 591 B6R0.3 C(C(C(=O)Cl)Br)Br TS62878 [0,1,0,0,0,0|2,0,0]=3 592 B6R0.3 C(C(C(=O)Cl)Cl)Cl TS11458 [0,1,0,0,0,0|2,0,0]=3 593 B6R0.3 C(C(C(=O)N)Br)Br TS24999 [0,1,0,0,0,0|2,0,0]=3 594 B6R0.3 C(C(C(=O)N)Cl)Cl TS06630 [0,1,0,0,0,0|2,0,0]=3 595 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [0,1,0,0,0,0|2,0,0]=3 596 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [0,1,0,0,0,0|2,0,0]=3 597 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [0,1,0,0,0,0|2,0,0]=3 598 B6R0.3 C(C(C(=O)O)N)F TS31750 [0,1,0,0,0,0|2,0,0]=3 599 B6R0.3 C(C(C(=O)O)N)N TS15412 [0,1,0,0,0,0|2,0,0]=3 600 B6R0.3 C(C(C(=O)O)N)N TS55876 [0,1,0,0,0,0|2,0,0]=3 601 B6R0.3 C(C(C(=O)O)N)O TS04070 [0,1,0,0,0,0|2,0,0]=3 602 B6R0.3 C(C(C(=O)O)N)O TS93662 [0,1,0,0,0,0|2,0,0]=3 603 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [0,1,0,0,0,0|2,0,0]=3 604 B6R0.3 C(C(C(=O)O)O)N TS55880 [0,1,0,0,0,0|2,0,0]=3 605 B6R0.3 C(C(C(=O)O)O)O TS31726 [0,1,0,0,0,0|2,0,0]=3 606 B6R0.3 C([C@@H](C(=O)N)N)O TS37447 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [0,1,0,0,0,0|2,0,0]=3 608 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [0,1,0,0,0,0|2,0,0]=3 609 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [0,1,0,0,0,0|2,0,0]=3 610 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [0,1,0,0,0,0|2,0,0]=3 611 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [0,1,0,0,0,0|2,0,0]=3 612 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [0,1,0,0,0,0|2,0,0]=3 613 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [0,1,0,0,0,0|2,0,0]=3 614 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [0,1,0,0,0,0|2,0,0]=3 615 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [0,1,0,0,0,0|2,0,0]=3 616 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [0,1,0,0,0,0|2,0,0]=3 617 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [0,1,0,0,0,0|2,0,0]=3 618 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [0,1,0,0,0,0|2,0,0]=3 619 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [0,1,0,0,0,0|2,0,0]=3 620 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [0,1,0,0,0,0|2,0,0]=3 621 B6R0.3 C=C(CBr)C(=O)O TS42841 [0,1,0,0,0,0|1,0,2]=4 622 B6R0.3 C=CC(C(=O)O)N TS07917 [0,1,0,0,0,0|1,0,2]=4 623 B6R0.3 C=C[C@@H](C(=O)O)N TS31547 [0,1,0,0,0,0|1,0,2]=4 624 B6R0.3 C=C[C@H](C(=O)O)N TS31536 [0,1,0,0,0,0|1,0,2]=4 625 B6R0.3 CC(=NO)C(=O)C TS31543 [0,1,0,0,0,0|2,0,1]=4 626 B6R0.3 CC(=O)C(=O)OC TS31579 [0,1,0,0,0,0|2,0,1]=4 627 B6R0.3 CC(=O)N(C)C=C TS59326 [0,1,0,0,0,0|1,0,2]=4 628 B6R0.3 CC(=O)N(C)OC TS56410 [0,1,0,0,0,0|2,0,0]=3 629 B6R0.3 CC(C(=O)C)SC TS32356 [0,1,0,0,0,0|1,0,0]=2 630 B6R0.3 CC(C(=O)O)NC TS31640 [0,1,0,0,0,0|1,0,0]=2 631 B6R0.3 CC(C(CBr)Br)Br TS35748 [0,1,0,0,0,0|2,0,1]=4 632 B6R0.3 CC(C(CO)O)O TS04083 [0,1,0,0,0,0|1,0,2]=4 633 B6R0.3 CC(C)C(C#C)O TS31442 [0,1,0,0,0,0|2,0,1]=4 634 B6R0.3 CC(C)C(C)C=C TS03806 [0,1,0,0,0,0|1,0,0]=2 635 B6R0.3 CC(C)C(C=C)O TS31528 [0,1,0,0,0,0|2,0,0]=3 636 B6R0.3 CC(C)C(CBr)Br TS52924 [0,1,0,0,0,0|2,0,1]=4 637 B6R0.3 CC(C)C(CO)S TS32435 [0,1,0,0,0,0|1,0,2]=4 638 B6R0.3 CC(C)[C@@H](CO)N TS56215 [0,1,0,0,0,0|1,0,2]=4 639 B6R0.3 CC(C)[C@H](CO)N TS08466 [0,1,0,0,0,0|1,0,2]=4 640 B6R0.3 CC(C=C)C(=C)C TS03723 [0,1,0,0,0,0|1,0,1]=3 641 B6R0.3 CC(C=C)C(=O)O TS03843 [0,1,0,0,0,0|0,0,2]=3 642 B6R0.3 CC(CN)C(=O)O TS04859 [0,1,0,0,0,0|1,0,0]=2 643 B6R0.3 CC(CN)C(=O)O TS31641 [0,1,0,0,0,0|1,0,0]=2 644 B6R0.3 CC(CO)C(=O)C TS03953 [0,1,0,0,0,0|1,0,0]=2 645 B6R0.3 CC(CO)N(C)C TS04003 [0,1,0,0,0,0|1,0,2]=4 646 B6R0.3 CC(CO)[N+](=O)[O-] TS04065 [0,1,0,0,0,0|2,0,0]=3 647 B6R0.3 CC(CS)C(=O)O TS04823 [0,1,0,0,0,0|1,0,0]=2 648 B6R0.3 CC=C(C)C(=O)C TS31447 [0,1,0,0,0,0|0,0,2]=3 649 B6R0.3 CC=C(C)C(=O)Cl TS04767 [0,1,0,0,0,0|0,0,2]=3 650 B6R0.3 CC=C(C)C(=O)O TS03838 [0,1,0,0,0,0|0,0,2]=3 651 B6R0.3 CC=C(C)C(=O)O TS03840 [0,1,0,0,0,0|0,0,2]=3 652 B6R0.3 CC=C(C)C(C)C TS03807 [0,1,0,0,0,0|1,0,1]=3 653 B6R0.3 CC=C(C)C(C)C TS31450 [0,1,0,0,0,0|1,0,1]=3 654 B6R0.3 CCC(=C(F)F)F TS04180 [0,1,0,0,0,0|2,0,1]=4 655 B6R0.3 CCC(=O)C(=O)C TS03844 [0,1,0,0,0,0|1,0,1]=3 656 B6R0.3 CCC(=O)C(=O)O TS31578 [0,1,0,0,0,0|1,0,1]=3 657 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [0,1,0,0,0,0|1,0,1]=3 658 B6R0.3 CCC(C(=C)C)O TS31517 [0,1,0,0,0,0|2,0,0]=3 659 B6R0.3 CCC(C(=O)Br)Br TS52915 [0,1,0,0,0,0|1,0,0]=2 660 B6R0.3 CCC(C(=O)C)S TS32355 [0,1,0,0,0,0|1,0,0]=2 661 B6R0.3 CCC(C(=O)Cl)Br TS48787 [0,1,0,0,0,0|1,0,0]=2 662 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [0,1,0,0,0,0|1,0,0]=2 663 B6R0.3 CCC(C(=O)N)Cl TS04875 [0,1,0,0,0,0|1,0,0]=2 664 B6R0.3 CCC(C(=O)N)N TS93870 [0,1,0,0,0,0|1,0,0]=2 665 B6R0.3 CCC(C(=O)N)N TS94086 [0,1,0,0,0,0|1,0,0]=2 666 B6R0.3 CCC(C(=O)O)Br TS12329 [0,1,0,0,0,0|1,0,0]=2 667 B6R0.3 CCC(C(=O)O)Cl TS04940 [0,1,0,0,0,0|1,0,0]=2 668 B6R0.3 CCC(C(=O)O)N TS45781 [0,1,0,0,0,0|1,0,0]=2 669 B6R0.3 CCC(C(=O)O)N TS47470 [0,1,0,0,0,0|1,0,0]=2 670 B6R0.3 CCC(C(=O)O)O TS31670 [0,1,0,0,0,0|1,0,0]=2 671 B6R0.3 CCC(C(=O)[O-])O TS05131 [0,1,0,0,0,0|1,0,0]=2 672 B6R0.3 CCC(C(C)Br)Br TS52927 [0,1,0,0,0,0|2,0,1]=4 673 B6R0.3 CCC(C(C)C)O TS03969 [0,1,0,0,0,0|2,0,1]=4 674 B6R0.3 CCC(C(C)Cl)Cl TS06555 [0,1,0,0,0,0|2,0,1]=4 675 B6R0.3 CCC(C)C(=O)C TS31518 [0,1,0,0,0,0|0,0,0]=1 676 B6R0.3 CCC(C)C(=O)Cl TS04836 [0,1,0,0,0,0|0,0,0]=1 677 B6R0.3 CCC(C)C(=O)O TS03945 [0,1,0,0,0,0|0,0,0]=1 678 B6R0.3 CCC(C)C(C)C TS03882 [0,1,0,0,0,0|1,0,1]=3 679 B6R0.3 CCC(C)C(C)O TS03961 [0,1,0,0,0,0|0,0,2]=3 680 B6R0.3 CCC(C)N(C)C TS03924 [0,1,0,0,0,0|2,0,0]=3 681 B6R0.3 CCC([N+](=O)[O-])Cl TS04986 [0,1,0,0,0,0|2,0,0]=3 682 B6R0.3 CCN(C)C(=O)Cl TS56394 [0,1,0,0,0,0|1,0,0]=2 683 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [0,1,0,0,0,0|1,0,0]=2 684 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [0,1,0,0,0,0|1,0,0]=2 685 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [0,1,0,0,0,0|1,0,0]=2 686 B6R0.3 CC[C@H](C(=O)N)N TS93011 [0,1,0,0,0,0|1,0,0]=2 687 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [0,1,0,0,0,0|1,0,0]=2 688 B6R0.3 CC[C@H](C(=O)O)N TS64880 [0,1,0,0,0,0|1,0,0]=2 689 B6R0.3 CN(C(=O)N)N=O TS01611 [0,1,0,0,0,0|3,0,0]=4 690 B6R0.3 COC(=O)C(=O)Cl TS34587 [0,1,0,0,0,0|2,0,1]=4 691 B6R0.3 COC(=O)C(=O)N TS31629 [0,1,0,0,0,0|2,0,1]=4 692 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [0,1,0,0,0,0|1,0,0]=2 693 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [0,1,0,0,0,0|1,0,0]=2 694 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [0,1,0,0,0,0|1,0,0]=2 695 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [0,1,0,0,0,0|1,0,0]=2 696 B6R0.3 C[C@@H]([C@H](CO)N)O TS33038 [0,1,0,0,0,0|1,0,2]=4 697 B6R0.3 C[C@H](C(=O)N)OC TS31644 [0,1,0,0,0,0|1,0,0]=2 698 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [0,1,0,0,0,0|1,0,0]=2 699 B6R0.3 C[C@H](CO)C(=O)O TS31672 [0,1,0,0,0,0|1,0,0]=2 700 B6R0.3 C[C@H]([C@@H](CO)N)O TS07680 [0,1,0,0,0,0|1,0,2]=4 701 B6R0.8 CC(C)(CBr)CBr TS46794 [0,1,0,0,0,0|2,0,1]=4 702 B6R0.8 CC(C)(CCl)CCl TS06554 [0,1,0,0,0,0|2,0,1]=4 703 B6R0.8 CC(C)(CN)CN TS03974 [0,1,0,0,0,0|2,0,1]=4 704 B6R0.8 CC(C)(CN)CO TS04011 [0,1,0,0,0,0|1,0,2]=4 705 B6R0.8 CC(C)(CO)C=O TS56179 [0,1,0,0,0,0|1,0,0]=2 706 B6R0.8 CC(C)(CO)CBr TS12341 [0,1,0,0,0,0|1,0,2]=4 707 B6R0.8 CC(C)(CO)CCl TS04948 [0,1,0,0,0,0|1,0,2]=4 708 B6R0.8 CC(C)(CO)CO TS04036 [0,1,0,0,0,0|1,0,2]=4 709 B6R0.8 CC(C)(OC)OC TS34633 [0,1,0,0,0,0|3,0,0]=4 710 B6R0.8 CC(C=C)(C#C)O TS31366 [0,1,0,0,0,0|1,0,2]=4 711 B6R0.8 CC(CF)(CF)O TS04187 [0,1,0,0,0,0|2,0,1]=4 712 B6R0.8 CC(CO)(CO)N TS31703 [0,1,0,0,0,0|1,0,2]=4 713 B6R0.8 CCC(C)(C#C)N TS05851 [0,1,0,0,0,0|1,0,1]=3 714 B6R0.8 CCC(C)(C#C)O TS31445 [0,1,0,0,0,0|1,0,1]=3 715 B6R0.8 CCC(C)(C)C=C TS31454 [0,1,0,0,0,0|1,0,0]=2 716 B6R0.8 CCC(C)(C)CC TS03879 [0,1,0,0,0,0|1,0,1]=3 717 B6R0.8 CCC(C)(C)CO TS31614 [0,1,0,0,0,0|0,0,2]=3 718 B6R0.8 CCC(C)(C)[Mg]Cl TS36577 [0,1,0,0,0,0|2,0,0]=3 719 B6R0.8 CCC(C)(C=C)O TS31507 [0,1,0,0,0,0|1,0,0]=2 720 B6R0.8 CCC(C)(CC)Br TS60333 [0,1,0,0,0,0|1,0,1]=3 721 B6R0.8 CCC(C)(CC)O TS03968 [0,1,0,0,0,0|1,0,1]=3 722 B6R0.8 CCS(=O)(=O)C=C TS04821 [0,1,0,0,0,0|3,0,0]=4 723 B6R0.8 CC[N+](C)(C)CC TS04796 [0,1,0,0,0,0|2,0,1]=4 724 B6R0.8 CC[Si](C)(C)CCl TS06147 [0,1,0,0,0,0|1,1,1]=4 725 B6R0.8 C[Si](C)(CCl)C=C TS36893 [0,1,0,0,0,0|2,1,0]=4 726 B6R0.9 B(CC)(CC)CC TS31417 [0,1,0,0,0,0|2,0,1]=4 727 B6R0.9 B(CC)(CC)OC TS31480 [0,1,0,0,0,0|2,0,1]=4 728 B6R0.9 C(=O)C(C=O)C=O TS60168 [0,1,0,0,0,0|1,0,2]=4 729 B6R0.9 C(C(CBr)CBr)O TS25153 [0,1,0,0,0,0|1,0,2]=4 730 B6R0.9 CCC(=CC)C=O TS31448 [0,1,0,0,0,0|0,0,1]=2 731 B6R0.9 CCC(CC)C=C TS03805 [0,1,0,0,0,0|1,0,0]=2 732 B6R0.9 CCC(CC)CBr TS11973 [0,1,0,0,0,0|1,0,1]=3 733 B6R0.9 CCC(CC)CCl TS04847 [0,1,0,0,0,0|1,0,1]=3 734 B6R0.9 CCC(CC)CN TS55314 [0,1,0,0,0,0|1,0,1]=3 735 B6R0.9 CCC(CC)CO TS03962 [0,1,0,0,0,0|0,0,2]=3 736 B6R0.9 CCC(CO)CO TS04037 [0,1,0,0,0,0|0,0,2]=3 737 B6R0.9 CCC(OC)OC TS04030 [0,1,0,0,0,0|2,0,0]=3 738 B6R0.9 CCN(CC)C=O TS39410 [0,1,0,0,0,0|1,0,0]=2 739 B6R0.9 CCN(CC)CC TS00288 [0,1,0,0,0,0|2,0,1]=4 740 B6R0.9 CCN(CC)CC TS00289 [0,1,0,0,0,0|2,0,1]=4 741 B6R0.9 CCN(CC)CC TS42336 [0,1,0,0,0,0|2,0,1]=4 742 B6R0.9 CCN(CC)CC TS48183 [0,1,0,0,0,0|2,0,1]=4 743 B6R0.9 CCN(CC)CC TS70162 [0,1,0,0,0,0|2,0,1]=4 744 B6R0.9 CCN(CC)CC TS94058 [0,1,0,0,0,0|2,0,1]=4 745 B6R0.9 CCN(CC)CO TS04009 [0,1,0,0,0,0|1,0,2]=4 746 B6R0.9 CCN(CC)N=O TS31604 [0,1,0,0,0,0|2,0,0]=3 747 B6R0.9 CCP(CC)CC TS04731 [0,1,0,0,0,0|2,0,1]=4 748 B6R0.9 CCP(CC)CC TS27543 [0,1,0,0,0,0|2,0,1]=4 749 B6R0.9 CCP(CC)CC TS79051 [0,1,0,0,0,0|2,0,1]=4 750 B6R0.9 CCP(CC)CC TS83252 [0,1,0,0,0,0|2,0,1]=4 751 B6R0.9 CCP(OC)OC TS32484 [0,1,0,0,0,0|3,0,0]=4 752 B6R0.9 CC[Al](CC)CC TS32086 [0,1,0,0,0,0|2,0,1]=4 753 B6R0.9 CC[As](CC)CC TS11491 [0,1,0,0,0,0|2,0,1]=4 754 B6R0.9 CC[Ga](CC)CC TS10805 [0,1,0,0,0,0|2,0,1]=4 755 B6R0.9 CC[GeH](CC)CC TS11342 [0,1,0,0,0,0|1,1,1]=4 756 B6R0.9 CC[In](CC)CC TS19303 [0,1,0,0,0,0|2,0,1]=4 757 B6R0.9 CC[O+](CC)CC TS01629 [0,1,0,0,0,0|2,0,1]=4 758 B6R0.9 CC[O+](CC)CC TS27702 [0,1,0,0,0,0|2,0,1]=4 759 B6R0.9 CC[S+](CC)CC TS20090 [0,1,0,0,0,0|2,0,1]=4 760 B6R0.9 CC[Sb](CC)CC TS43572 [0,1,0,0,0,0|2,0,1]=4 761 B6R0.9 CC[SiH](CC)CC TS00290 [0,1,0,0,0,0|1,1,1]=4 762 B6R0.9 COC(C=C)OC TS31593 [0,1,0,0,0,0|2,0,0]=3 763 B6R0.9 COC(C=O)OC TS31669 [0,1,0,0,0,0|1,0,0]=2 764 B6R0.9 COC(CBr)OC TS00844 [0,1,0,0,0,0|2,0,1]=4 765 B6R0.9 COC(CCl)OC TS36029 [0,1,0,0,0,0|2,0,1]=4 766 B6R0.9 COC(CN)OC TS34632 [0,1,0,0,0,0|2,0,1]=4 767 B6R0.9 COC(CO)C=C TS03957 [0,1,0,0,0,0|2,0,0]=3 768 B6R0.9 COC(OC)OC TS00293 [0,1,0,0,0,0|3,0,0]=4 769 B6R0.9 CSC(SC)SC TS10515 [0,1,0,0,0,0|3,0,0]=4 770 B6R0.9 C[Se]C([Se]C)[Se]C TS58521 [0,1,0,0,0,0|3,0,0]=4 771 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,1,0,0|2,0,1]=4 772 B6R1.2 C1CC(C=C1)Cl TS31621 [0,0,0,1,0,0|2,0,0]=3 773 B6R1.2 C1CC(OC1)N TS03559 [0,0,0,1,0,0|3,0,0]=4 774 B6R1.2 C1CC=C(C1)Cl TS31619 [0,0,0,1,0,0|2,0,1]=4 775 B6R1.2 C1CCC(C1)Br TS55827 [0,0,0,1,0,0|2,0,1]=4 776 B6R1.2 C1CCC(C1)Br TS68904 [0,0,0,1,0,0|2,0,1]=4 777 B6R1.2 C1CCC(C1)Cl TS04055 [0,0,0,1,0,0|2,0,1]=4 778 B6R1.2 C1CCC(C1)I TS18162 [0,0,0,1,0,0|2,0,1]=4 779 B6R1.2 C1CCC(C1)N TS34563 [0,0,0,1,0,0|2,0,1]=4 780 B6R1.2 C1CCC(C1)O TS71762 [0,0,0,1,0,0|2,0,1]=4 781 B6R1.2 C1CCC(C1)S TS03980 [0,0,0,1,0,0|2,0,1]=4 782 B6R1.2 C1CCC(C1)[SiH3] TS03890 [0,0,0,1,0,0|1,1,1]=4 783 B6R1.2 C1CCC(C1)[Zn+] TS44590 [0,0,0,1,0,0|2,0,1]=4 784 B6R1.2 C1CNCC1F TS36083 [0,0,0,1,0,0|2,0,1]=4 785 B6R1.2 C1CNCC1F TS46663 [0,0,0,1,0,0|2,0,1]=4 786 B6R1.2 C1CNCC1N TS32537 [0,0,0,1,0,0|2,0,1]=4 787 B6R1.2 C1CNCC1O TS02802 [0,0,0,1,0,0|2,0,1]=4 788 B6R1.2 C1CNC[C@@H]1F TS00303 [0,0,0,1,0,0|2,0,1]=4 789 B6R1.2 C1CNC[C@@H]1F TS03597 [0,0,0,1,0,0|2,0,1]=4 790 B6R1.2 C1CNC[C@@H]1N TS03541 [0,0,0,1,0,0|2,0,1]=4 791 B6R1.2 C1CNC[C@@H]1N TS42016 [0,0,0,1,0,0|2,0,1]=4 792 B6R1.2 C1CNC[C@@H]1O TS87275 [0,0,0,1,0,0|2,0,1]=4 793 B6R1.2 C1CNC[C@@H]1O TS87623 [0,0,0,1,0,0|2,0,1]=4 794 B6R1.2 C1CNC[C@H]1F TS08083 [0,0,0,1,0,0|2,0,1]=4 795 B6R1.2 C1CNC[C@H]1F TS88030 [0,0,0,1,0,0|2,0,1]=4 796 B6R1.2 C1CNC[C@H]1N TS39939 [0,0,0,1,0,0|2,0,1]=4 797 B6R1.2 C1CNC[C@H]1N TS42017 [0,0,0,1,0,0|2,0,1]=4 798 B6R1.2 C1CNC[C@H]1O TS46618 [0,0,0,1,0,0|2,0,1]=4 799 B6R1.2 C1CNC[C@H]1O TS46665 [0,0,0,1,0,0|2,0,1]=4 800 B6R1.2 C1CNC[C@H]1O TS91049 [0,0,0,1,0,0|2,0,1]=4 801 B6R1.2 C1CNC[C@H]1O TS94423 [0,0,0,1,0,0|2,0,1]=4 802 B6R1.2 C1COCC1Br TS88092 [0,0,0,1,0,0|1,0,2]=4 803 B6R1.2 C1COCC1Cl TS31737 [0,0,0,1,0,0|1,0,2]=4 804 B6R1.2 C1COCC1I TS86694 [0,0,0,1,0,0|1,0,2]=4 805 B6R1.2 C1COCC1N TS89945 [0,0,0,1,0,0|1,0,2]=4 806 B6R1.2 C1COCC1O TS06712 [0,0,0,1,0,0|1,0,2]=4 807 B6R1.2 C1COCC1O TS59434 [0,0,0,1,0,0|1,0,2]=4 808 B6R1.2 C1COCC1O TS89114 [0,0,0,1,0,0|1,0,2]=4 809 B6R1.2 C1COC[C@@H]1I TS91739 [0,0,0,1,0,0|1,0,2]=4 810 B6R1.2 C1COC[C@@H]1N TS04989 [0,0,0,1,0,0|1,0,2]=4 811 B6R1.2 C1COC[C@@H]1N TS85171 [0,0,0,1,0,0|1,0,2]=4 812 B6R1.2 C1COC[C@@H]1O TS01967 [0,0,0,1,0,0|1,0,2]=4 813 B6R1.2 C1COC[C@H]1I TS88696 [0,0,0,1,0,0|1,0,2]=4 814 B6R1.2 C1COC[C@H]1N TS46680 [0,0,0,1,0,0|1,0,2]=4 815 B6R1.2 C1COC[C@H]1O TS59862 [0,0,0,1,0,0|1,0,2]=4 816 B6R1.2 C1CSCC1Cl TS32541 [0,0,0,1,0,0|1,1,1]=4 817 B6R1.2 C1CSCC1N TS04016 [0,0,0,1,0,0|1,1,1]=4 818 B6R1.2 C1CSCC1O TS31682 [0,0,0,1,0,0|1,1,1]=4 819 B6R1.2 CC1=CCCC1 TS71683 [0,0,0,1,0,0|1,0,1]=3 820 B6R1.2 CC1=CCCO1 TS03492 [0,0,0,1,0,0|2,0,1]=4 821 B6R1.2 CC1=NCCC1 TS32917 [0,0,0,1,0,0|2,0,1]=4 822 B6R1.2 CC1CCCC1 TS22155 [0,0,0,1,0,0|1,0,1]=3 823 B6R1.2 CC1CCCC1 TS22325 [0,0,0,1,0,0|1,0,1]=3 824 B6R1.2 CC1CCCC1 TS31194 [0,0,0,1,0,0|1,0,1]=3 825 B6R1.2 CC1CCCC1 TS69413 [0,0,0,1,0,0|1,0,1]=3 826 B6R1.2 CC1CCCC1 TS77214 [0,0,0,1,0,0|1,0,1]=3 827 B6R1.2 CC1CCCC1 TS77590 [0,0,0,1,0,0|1,0,1]=3 828 B6R1.2 CC1CCCN1 TS03512 [0,0,0,1,0,0|2,0,0]=3 829 B6R1.2 CC1CCCO1 TS71748 [0,0,0,1,0,0|2,0,0]=3 830 B6R1.2 CC1CCCS1 TS03982 [0,0,0,1,0,0|2,0,0]=3 831 B6R1.2 CC1CCNC1 TS04878 [0,0,0,1,0,0|1,0,1]=3 832 B6R1.2 CC1CCOC1 TS71755 [0,0,0,1,0,0|0,0,2]=3 833 B6R1.2 CC1CCSC1 TS03984 [0,0,0,1,0,0|0,1,1]=3 834 B6R1.2 CC1COCO1 TS03579 [0,0,0,1,0,0|1,0,2]=4 835 B6R1.2 CC1OCCO1 TS03576 [0,0,0,1,0,0|3,0,0]=4 836 B6R1.2 CC1SCCS1 TS32438 [0,0,0,1,0,0|3,0,0]=4 837 B6R1.2 CN1CCCC1 TS85196 [0,0,0,1,0,0|2,0,1]=4 838 B6R1.2 C[C@@H]1CCNC1 TS46531 [0,0,0,1,0,0|1,0,1]=3 839 B6R1.2 C[C@H]1CCCN1 TS08127 [0,0,0,1,0,0|2,0,0]=3 840 B6R1.2 C[C@H]1CCCN1 TS59864 [0,0,0,1,0,0|2,0,0]=3 841 B6R1.2 C[C@H]1CCNC1 TS04879 [0,0,0,1,0,0|1,0,1]=3 842 B6R1.4 C1=C[C@@H]([C@@H]1Cl)Cl TS32545 [0,0,0,1,0,0|3,0,0]=4 843 B6R1.4 CC1C(CN1)O TS92907 [0,0,0,1,0,0|1,0,2]=4 844 B6R1.6 C1C(CN1)C#N TS04769 [0,0,0,1,0,0|2,0,1]=4 845 B6R1.6 C1C(CN1)CO TS91597 [0,0,0,1,0,0|1,0,2]=4 846 B6R1.6 C1C(CO1)CI TS85854 [0,0,0,1,0,0|1,0,2]=4 847 B6R1.6 C1C(CO1)CN TS89704 [0,0,0,1,0,0|1,0,2]=4 848 B6R1.6 C1C(CO1)CO TS90138 [0,0,0,1,0,0|1,0,2]=4 849 B6R1.6 C1C(CS1)CN TS87824 [0,0,0,1,0,0|1,1,1]=4 850 B6R1.6 C1CC(C1)C#N TS03443 [0,0,0,1,0,0|1,0,1]=3 851 B6R1.6 C1CC(C1)C=O TS03489 [0,0,0,1,0,0|0,0,0]=1 852 B6R1.6 C1CC(C1)CBr TS07532 [0,0,0,1,0,0|1,0,1]=3 853 B6R1.6 C1CC(C1)CN TS89840 [0,0,0,1,0,0|1,0,1]=3 854 B6R1.6 C1CC(C1)CO TS71752 [0,0,0,1,0,0|0,0,2]=3 855 B6R1.6 C1CC(C1)NN TS01400 [0,0,0,1,0,0|2,0,0]=3 856 B6R1.6 C1CC(C1)NN TS03544 [0,0,0,1,0,0|2,0,0]=3 857 B6R1.6 C1CNC1CN TS01756 [0,0,0,1,0,0|2,0,1]=4 858 B6R1.6 C1CNC1CO TS88277 [0,0,0,1,0,0|1,0,2]=4 859 B6R1.6 C1CN[C@H]1CO TS86313 [0,0,0,1,0,0|1,0,2]=4 860 B6R1.6 C1COC1CBr TS40968 [0,0,0,1,0,0|2,0,1]=4 861 B6R1.6 C1COC1CI TS91254 [0,0,0,1,0,0|2,0,1]=4 862 B6R1.6 C1COC1CN TS86216 [0,0,0,1,0,0|2,0,1]=4 863 B6R1.6 C1COC1CO TS88229 [0,0,0,1,0,0|1,0,2]=4 864 B6R1.6 CCC1CCC1 TS71715 [0,0,0,1,0,0|1,0,1]=3 865 B6R1.6 CNC1CNC1 TS03543 [0,0,0,1,0,0|2,0,1]=4 866 B6R1.6 CNC1COC1 TS89249 [0,0,0,1,0,0|1,0,2]=4 867 B6R1.6 COC1CNC1 TS02818 [0,0,0,1,0,0|2,0,1]=4 868 B6R1.6 COC1CSC1 TS31679 [0,0,0,1,0,0|1,1,1]=4 869 B6R1.7 C1CC1(C#N)N TS46843 [0,0,0,1,0,0|2,0,1]=4 870 B6R1.7 C1CC1(CN)O TS71768 [0,0,0,1,0,0|2,0,1]=4 871 B6R1.7 C1CC1(CO)N TS46848 [0,0,0,1,0,0|1,0,2]=4 872 B6R1.7 CC1(CC1)CO TS71759 [0,0,0,1,0,0|0,0,2]=3 873 B6R1.7 CC1(CO1)CCl TS31735 [0,0,0,1,0,0|1,0,2]=4 874 B6R1.7 CCC1(CO1)C TS71765 [0,0,0,1,0,0|0,0,2]=3 875 B6R1.8 C=C1CC1CO TS03490 [0,0,0,1,0,0|2,0,0]=3 876 B6R1.8 CC1CC1CO TS71767 [0,0,0,1,0,0|0,0,2]=3 877 B6R1.8 CC[C@@H]1C[C@@H]1C TS71712 [0,0,0,1,0,0|1,0,1]=3 878 B3R0.1 C#CC=O TS65569 [2,0,0,0,0,0|0,0,2]=4 879 B3R0.1 C(=O)C=O TS02414 [2,0,0,0,0,0|1,0,1]=4 880 B3R0.1 C(=O)C=O TS73473 [2,0,0,0,0,0|1,0,1]=4 881 B3R0.1 C(=O)NN TS02435 [2,0,0,0,0,0|2,0,0]=4 882 B3R0.1 C(=O)OO TS65600 [2,0,0,0,0,0|2,0,0]=4 883 B3R0.1 C(C=O)Cl TS15061 [2,0,0,0,0,0|1,0,0]=3 884 B3R0.1 C(C=O)Cl TS71651 [2,0,0,0,0,0|1,0,0]=3 885 B3R0.1 C(C=O)O TS02433 [2,0,0,0,0,0|1,0,0]=3 886 B3R0.1 C(CBr)Br TS59882 [2,0,0,0,0,0|2,0,0]=4 887 B3R0.1 C(CBr)Cl TS00022 [2,0,0,0,0,0|2,0,0]=4 888 B3R0.1 C(CBr)F TS46917 [2,0,0,0,0,0|2,0,0]=4 889 B3R0.1 C(CBr)N TS11328 [2,0,0,0,0,0|2,0,0]=4 890 B3R0.1 C(CBr)N TS55165 [2,0,0,0,0,0|2,0,0]=4 891 B3R0.1 C(CBr)O TS55163 [2,0,0,0,0,0|1,0,1]=4 892 B3R0.1 C(CCl)Cl TS31460 [2,0,0,0,0,0|2,0,0]=4 893 B3R0.1 C(CCl)F TS71692 [2,0,0,0,0,0|2,0,0]=4 894 B3R0.1 C(CCl)N TS55277 [2,0,0,0,0,0|2,0,0]=4 895 B3R0.1 C(CCl)O TS00074 [2,0,0,0,0,0|1,0,1]=4 896 B3R0.1 C(CCl)[SiH3] TS31360 [2,0,0,0,0,0|1,1,0]=4 897 B3R0.1 C(CF)F TS02711 [2,0,0,0,0,0|2,0,0]=4 898 B3R0.1 C(CF)N TS31476 [2,0,0,0,0,0|2,0,0]=4 899 B3R0.1 C(CF)O TS01026 [2,0,0,0,0,0|1,0,1]=4 900 B3R0.1 C(CI)Cl TS51200 [2,0,0,0,0,0|2,0,0]=4 901 B3R0.1 C(CI)F TS45712 [2,0,0,0,0,0|2,0,0]=4 902 B3R0.1 C(CI)I TS93956 [2,0,0,0,0,0|2,0,0]=4 903 B3R0.1 C(CI)O TS13090 [2,0,0,0,0,0|1,0,1]=4 904 B3R0.1 C(CN)N TS03440 [2,0,0,0,0,0|2,0,0]=4 905 B3R0.1 C(CN)N TS03650 [2,0,0,0,0,0|2,0,0]=4 906 B3R0.1 C(CN)N TS05804 [2,0,0,0,0,0|2,0,0]=4 907 B3R0.1 C(CN)N TS22305 [2,0,0,0,0,0|2,0,0]=4 908 B3R0.1 C(CN)N TS26096 [2,0,0,0,0,0|2,0,0]=4 909 B3R0.1 C(CN)N TS65589 [2,0,0,0,0,0|2,0,0]=4 910 B3R0.1 C(CN)N TS70395 [2,0,0,0,0,0|2,0,0]=4 911 B3R0.1 C(CN)N TS76811 [2,0,0,0,0,0|2,0,0]=4 912 B3R0.1 C(CN)N TS79362 [2,0,0,0,0,0|2,0,0]=4 913 B3R0.1 C(CN)[NH3+] TS03740 [2,0,0,0,0,0|2,0,0]=4 914 B3R0.1 C(CO)N TS08649 [2,0,0,0,0,0|1,0,1]=4 915 B3R0.1 C(CO)N TS31412 [2,0,0,0,0,0|1,0,1]=4 916 B3R0.1 C(CO)N TS31567 [2,0,0,0,0,0|1,0,1]=4 917 B3R0.1 C(CO)N TS93285 [2,0,0,0,0,0|1,0,1]=4 918 B3R0.1 C(CO)O TS02439 [2,0,0,0,0,0|1,0,1]=4 919 B3R0.1 C(CP)O TS03426 [2,0,0,0,0,0|1,0,1]=4 920 B3R0.1 C(CP)P TS03658 [2,0,0,0,0,0|2,0,0]=4 921 B3R0.1 C(CS)N TS03420 [2,0,0,0,0,0|1,1,0]=4 922 B3R0.1 C(CS)N TS39644 [2,0,0,0,0,0|1,1,0]=4 923 B3R0.1 C(CS)O TS71649 [2,0,0,0,0,0|1,0,1]=4 924 B3R0.1 C(CS)S TS74490 [2,0,0,0,0,0|1,1,0]=4 925 B3R0.1 C(C[O-])O TS70846 [2,0,0,0,0,0|1,0,1]=4 926 B3R0.1 C(C[SiH3])[SiH3] TS03631 [2,0,0,0,0,0|0,2,0]=4 927 B3R0.1 C=CC=O TS33215 [2,0,0,0,0,0|0,0,2]=4 928 B3R0.1 C=CCBr TS39710 [2,0,0,0,0,0|1,0,1]=4 929 B3R0.1 C=CCCl TS03413 [2,0,0,0,0,0|1,0,1]=4 930 B3R0.1 C=CCF TS65583 [2,0,0,0,0,0|1,0,1]=4 931 B3R0.1 C=CCI TS93895 [2,0,0,0,0,0|1,0,1]=4 932 B3R0.1 C=CCN TS01644 [2,0,0,0,0,0|1,0,1]=4 933 B3R0.1 C=CCO TS02418 [2,0,0,0,0,0|1,0,1]=4 934 B3R0.1 C=CCS TS71619 [2,0,0,0,0,0|1,0,1]=4 935 B3R0.1 CC=C=C TS65572 [2,0,0,0,0,0|0,0,2]=4 936 B3R0.1 CC=CBr TS00041 [2,0,0,0,0,0|1,0,1]=4 937 B3R0.1 CC=CCl TS03412 [2,0,0,0,0,0|1,0,1]=4 938 B3R0.1 CC=CCl TS03414 [2,0,0,0,0,0|1,0,1]=4 939 B3R0.1 CCC#C TS65570 [2,0,0,0,0,0|0,0,2]=4 940 B3R0.1 CCC#N TS65577 [2,0,0,0,0,0|1,0,1]=4 941 B3R0.1 CCC=C TS02407 [2,0,0,0,0,0|0,0,1]=3 942 B3R0.1 CCC=O TS02416 [2,0,0,0,0,0|0,0,0]=2 943 B3R0.1 CCC=S TS71851 [2,0,0,0,0,0|0,1,0]=3 944 B3R0.1 CCCBr TS00040 [2,0,0,0,0,0|1,0,0]=3 945 B3R0.1 CCCCl TS71653 [2,0,0,0,0,0|1,0,0]=3 946 B3R0.1 CCCF TS65692 [2,0,0,0,0,0|1,0,0]=3 947 B3R0.1 CCCI TS45076 [2,0,0,0,0,0|1,0,0]=3 948 B3R0.1 CCCN TS02429 [2,0,0,0,0,0|1,0,0]=3 949 B3R0.1 CCCN TS03705 [2,0,0,0,0,0|1,0,0]=3 950 B3R0.1 CCCS TS03410 [2,0,0,0,0,0|0,1,0]=3 951 B3R0.1 CCC[O-] TS03458 [2,0,0,0,0,0|0,0,1]=3 952 B3R0.1 CCC[O-] TS37676 [2,0,0,0,0,0|0,0,1]=3 953 B3R0.1 CCC[O-] TS56091 [2,0,0,0,0,0|0,0,1]=3 954 B3R0.1 CCC[S-] TS03782 [2,0,0,0,0,0|0,1,0]=3 955 B3R0.1 CCNC TS03706 [2,0,0,0,0,0|1,0,0]=3 956 B3R0.1 CCNC TS16623 [2,0,0,0,0,0|1,0,0]=3 957 B3R0.1 CCNO TS64941 [2,0,0,0,0,0|1,0,1]=4 958 B3R0.1 CCOC TS65588 [2,0,0,0,0,0|1,0,0]=3 959 B3R0.1 CCON TS31411 [2,0,0,0,0,0|2,0,0]=4 960 B3R0.1 CCSC TS71648 [2,0,0,0,0,0|1,0,0]=3 961 B3R0.1 CC[Hg]Cl TS30124 [2,0,0,0,0,0|2,0,0]=4 962 B3R0.1 CC[Mg]Br TS36790 [2,0,0,0,0,0|2,0,0]=4 963 B3R0.1 CC[Mg]I TS93021 [2,0,0,0,0,0|2,0,0]=4 964 B3R0.1 CNC=O TS39915 [2,0,0,0,0,0|1,0,0]=3 965 B3R0.1 CNNC TS05803 [2,0,0,0,0,0|2,0,0]=4 966 B3R0.1 CNNC TS65590 [2,0,0,0,0,0|2,0,0]=4 967 B3R0.1 CNOC TS01578 [2,0,0,0,0,0|2,0,0]=4 968 B3R0.1 COC=C TS02419 [2,0,0,0,0,0|1,0,1]=4 969 B3R0.1 COC=O TS02434 [2,0,0,0,0,0|1,0,0]=3 970 B3R0.1 COCBr TS36040 [2,0,0,0,0,0|2,0,0]=4 971 B3R0.1 COCCl TS56228 [2,0,0,0,0,0|2,0,0]=4 972 B3R0.1 COCI TS13091 [2,0,0,0,0,0|2,0,0]=4 973 B3R0.1 CSSC TS34583 [2,0,0,0,0,0|2,0,0]=4 974 B3R0.1 C[Se][Se]C TS15888 [2,0,0,0,0,0|2,0,0]=4 975 B3R0.1 C[SiH2]C[SiH3] TS03630 [2,0,0,0,0,0|0,2,0]=4 976 B3R0.2 B(C)(C)C TS02403 [2,0,0,0,0,0|1,0,1]=4 977 B3R0.2 CC(=C)Br TS04851 [2,0,0,0,0,0|1,0,1]=4 978 B3R0.2 CC(=C)C TS02408 [2,0,0,0,0,0|0,0,1]=3 979 B3R0.2 CC(=C)C TS12599 [2,0,0,0,0,0|0,0,1]=3 980 B3R0.2 CC(=C)F TS65582 [2,0,0,0,0,0|1,0,1]=4 981 B3R0.2 CC(=C)I TS43297 [2,0,0,0,0,0|1,0,1]=4 982 B3R0.2 CC(=O)Br TS32543 [2,0,0,0,0,0|1,0,1]=4 983 B3R0.2 CC(=O)C TS02420 [2,0,0,0,0,0|0,0,1]=3 984 B3R0.2 CC(=O)C TS42396 [2,0,0,0,0,0|0,0,1]=3 985 B3R0.2 CC(=O)Cl TS71652 [2,0,0,0,0,0|1,0,1]=4 986 B3R0.2 CC(=O)F TS65601 [2,0,0,0,0,0|1,0,1]=4 987 B3R0.2 CC(=O)I TS45073 [2,0,0,0,0,0|1,0,1]=4 988 B3R0.2 CC(=O)N TS02426 [2,0,0,0,0,0|1,0,1]=4 989 B3R0.2 CC(=O)O TS02283 [2,0,0,0,0,0|1,0,1]=4 990 B3R0.2 CC(=O)O TS02432 [2,0,0,0,0,0|1,0,1]=4 991 B3R0.2 CC(=O)O TS06643 [2,0,0,0,0,0|1,0,1]=4 992 B3R0.2 CC(=O)O TS08541 [2,0,0,0,0,0|1,0,1]=4 993 B3R0.2 CC(=O)O TS32397 [2,0,0,0,0,0|1,0,1]=4 994 B3R0.2 CC(=O)O TS65594 [2,0,0,0,0,0|1,0,1]=4 995 B3R0.2 CC(=O)[O-] TS00235 [2,0,0,0,0,0|1,0,1]=4 996 B3R0.2 CC(=O)[O-] TS01392 [2,0,0,0,0,0|1,0,1]=4 997 B3R0.2 CC(=O)[O-] TS03418 [2,0,0,0,0,0|1,0,1]=4 998 B3R0.2 CC(=O)[O-] TS03456 [2,0,0,0,0,0|1,0,1]=4 999 B3R0.2 CC(=O)[O-] TS04787 [2,0,0,0,0,0|1,0,1]=4 1000 B3R0.2 CC(=O)[O-] TS04947 [2,0,0,0,0,0|1,0,1]=4 1001 B3R0.2 CC(=O)[O-] TS06035 [2,0,0,0,0,0|1,0,1]=4 1002 B3R0.2 CC(=O)[O-] TS13953 [2,0,0,0,0,0|1,0,1]=4 1003 B3R0.2 CC(=O)[O-] TS18902 [2,0,0,0,0,0|1,0,1]=4 1004 B3R0.2 CC(=O)[O-] TS26452 [2,0,0,0,0,0|1,0,1]=4 1005 B3R0.2 CC(=O)[O-] TS27546 [2,0,0,0,0,0|1,0,1]=4 1006 B3R0.2 CC(=O)[O-] TS29951 [2,0,0,0,0,0|1,0,1]=4 1007 B3R0.2 CC(=O)[O-] TS38928 [2,0,0,0,0,0|1,0,1]=4 1008 B3R0.2 CC(=O)[O-] TS41886 [2,0,0,0,0,0|1,0,1]=4 1009 B3R0.2 CC(=O)[O-] TS43176 [2,0,0,0,0,0|1,0,1]=4 1010 B3R0.2 CC(=O)[O-] TS45710 [2,0,0,0,0,0|1,0,1]=4 1011 B3R0.2 CC(=O)[O-] TS49663 [2,0,0,0,0,0|1,0,1]=4 1012 B3R0.2 CC(=O)[O-] TS55806 [2,0,0,0,0,0|1,0,1]=4 1013 B3R0.2 CC(=O)[O-] TS58868 [2,0,0,0,0,0|1,0,1]=4 1014 B3R0.2 CC(=O)[O-] TS59815 [2,0,0,0,0,0|1,0,1]=4 1015 B3R0.2 CC(=O)[O-] TS62641 [2,0,0,0,0,0|1,0,1]=4 1016 B3R0.2 CC(=O)[O-] TS62666 [2,0,0,0,0,0|1,0,1]=4 1017 B3R0.2 CC(=O)[O-] TS63478 [2,0,0,0,0,0|1,0,1]=4 1018 B3R0.2 CC(=O)[O-] TS64101 [2,0,0,0,0,0|1,0,1]=4 1019 B3R0.2 CC(=O)[O-] TS65998 [2,0,0,0,0,0|1,0,1]=4 1020 B3R0.2 CC(=O)[O-] TS69697 [2,0,0,0,0,0|1,0,1]=4 1021 B3R0.2 CC(=O)[O-] TS69754 [2,0,0,0,0,0|1,0,1]=4 1022 B3R0.2 CC(=O)[O-] TS69943 [2,0,0,0,0,0|1,0,1]=4 1023 B3R0.2 CC(=O)[O-] TS72196 [2,0,0,0,0,0|1,0,1]=4 1024 B3R0.2 CC(=O)[O-] TS73462 [2,0,0,0,0,0|1,0,1]=4 1025 B3R0.2 CC(=O)[O-] TS73694 [2,0,0,0,0,0|1,0,1]=4 1026 B3R0.2 CC(=O)[O-] TS76815 [2,0,0,0,0,0|1,0,1]=4 1027 B3R0.2 CC(=O)[O-] TS77303 [2,0,0,0,0,0|1,0,1]=4 1028 B3R0.2 CC(=O)[O-] TS78087 [2,0,0,0,0,0|1,0,1]=4 1029 B3R0.2 CC(=O)[O-] TS78184 [2,0,0,0,0,0|1,0,1]=4 1030 B3R0.2 CC(=O)[O-] TS78238 [2,0,0,0,0,0|1,0,1]=4 1031 B3R0.2 CC(=O)[O-] TS78451 [2,0,0,0,0,0|1,0,1]=4 1032 B3R0.2 CC(=O)[O-] TS78756 [2,0,0,0,0,0|1,0,1]=4 1033 B3R0.2 CC(=O)[O-] TS78836 [2,0,0,0,0,0|1,0,1]=4 1034 B3R0.2 CC(=O)[O-] TS79224 [2,0,0,0,0,0|1,0,1]=4 1035 B3R0.2 CC(=O)[O-] TS79279 [2,0,0,0,0,0|1,0,1]=4 1036 B3R0.2 CC(=O)[O-] TS79965 [2,0,0,0,0,0|1,0,1]=4 1037 B3R0.2 CC(=O)[O-] TS80560 [2,0,0,0,0,0|1,0,1]=4 1038 B3R0.2 CC(=O)[O-] TS81725 [2,0,0,0,0,0|1,0,1]=4 1039 B3R0.2 CC(=O)[O-] TS82231 [2,0,0,0,0,0|1,0,1]=4 1040 B3R0.2 CC(=O)[O-] TS93749 [2,0,0,0,0,0|1,0,1]=4 1041 B3R0.2 CC(=O)[O-] TS94725 [2,0,0,0,0,0|1,0,1]=4 1042 B3R0.2 CC(=O)[O-] TS94733 [2,0,0,0,0,0|1,0,1]=4 1043 B3R0.2 CC(Br)Br TS15883 [2,0,0,0,0,0|2,0,0]=4 1044 B3R0.2 CC(C)Br TS00860 [2,0,0,0,0,0|1,0,0]=3 1045 B3R0.2 CC(C)C TS02421 [2,0,0,0,0,0|0,0,1]=3 1046 B3R0.2 CC(C)Cl TS00076 [2,0,0,0,0,0|1,0,0]=3 1047 B3R0.2 CC(C)F TS02440 [2,0,0,0,0,0|1,0,0]=3 1048 B3R0.2 CC(C)N TS01924 [2,0,0,0,0,0|1,0,0]=3 1049 B3R0.2 CC(C)O TS65587 [2,0,0,0,0,0|0,0,1]=3 1050 B3R0.2 CC(C)S TS03409 [2,0,0,0,0,0|0,1,0]=3 1051 B3R0.2 CC(C)[O-] TS00285 [2,0,0,0,0,0|0,0,1]=3 1052 B3R0.2 CC(C)[O-] TS01956 [2,0,0,0,0,0|0,0,1]=3 1053 B3R0.2 CC(C)[O-] TS03787 [2,0,0,0,0,0|0,0,1]=3 1054 B3R0.2 CC(C)[O-] TS11045 [2,0,0,0,0,0|0,0,1]=3 1055 B3R0.2 CC(C)[O-] TS24723 [2,0,0,0,0,0|0,0,1]=3 1056 B3R0.2 CC(C)[O-] TS25988 [2,0,0,0,0,0|0,0,1]=3 1057 B3R0.2 CC(C)[O-] TS29590 [2,0,0,0,0,0|0,0,1]=3 1058 B3R0.2 CC(C)[O-] TS50088 [2,0,0,0,0,0|0,0,1]=3 1059 B3R0.2 CC(C)[O-] TS56090 [2,0,0,0,0,0|0,0,1]=3 1060 B3R0.2 CC(C)[O-] TS57337 [2,0,0,0,0,0|0,0,1]=3 1061 B3R0.2 CC(C)[O-] TS60765 [2,0,0,0,0,0|0,0,1]=3 1062 B3R0.2 CC(C)[O-] TS61265 [2,0,0,0,0,0|0,0,1]=3 1063 B3R0.2 CC(C)[O-] TS61382 [2,0,0,0,0,0|0,0,1]=3 1064 B3R0.2 CC(C)[O-] TS62375 [2,0,0,0,0,0|0,0,1]=3 1065 B3R0.2 CC(C)[O-] TS63485 [2,0,0,0,0,0|0,0,1]=3 1066 B3R0.2 CC(C)[O-] TS63487 [2,0,0,0,0,0|0,0,1]=3 1067 B3R0.2 CC(C)[O-] TS63938 [2,0,0,0,0,0|0,0,1]=3 1068 B3R0.2 CC(C)[O-] TS66142 [2,0,0,0,0,0|0,0,1]=3 1069 B3R0.2 CC(C)[O-] TS67052 [2,0,0,0,0,0|0,0,1]=3 1070 B3R0.2 CC(C)[O-] TS72330 [2,0,0,0,0,0|0,0,1]=3 1071 B3R0.2 CC(C)[O-] TS77323 [2,0,0,0,0,0|0,0,1]=3 1072 B3R0.2 CC(C)[O-] TS78714 [2,0,0,0,0,0|0,0,1]=3 1073 B3R0.2 CC(C)[O-] TS79015 [2,0,0,0,0,0|0,0,1]=3 1074 B3R0.2 CC(C)[O-] TS79109 [2,0,0,0,0,0|0,0,1]=3 1075 B3R0.2 CC(C)[S-] TS03781 [2,0,0,0,0,0|0,1,0]=3 1076 B3R0.2 CC(Cl)Br TS06900 [2,0,0,0,0,0|2,0,0]=4 1077 B3R0.2 CC(Cl)Cl TS31461 [2,0,0,0,0,0|2,0,0]=4 1078 B3R0.2 CC(F)Cl TS71693 [2,0,0,0,0,0|2,0,0]=4 1079 B3R0.2 CC(F)F TS02706 [2,0,0,0,0,0|2,0,0]=4 1080 B3R0.2 CN(C)C TS02428 [2,0,0,0,0,0|1,0,1]=4 1081 B3R0.2 CN(C)C TS03598 [2,0,0,0,0,0|1,0,1]=4 1082 B3R0.2 CN(C)C TS04077 [2,0,0,0,0,0|1,0,1]=4 1083 B3R0.2 CN(C)C TS37301 [2,0,0,0,0,0|1,0,1]=4 1084 B3R0.2 CN(C)N TS03741 [2,0,0,0,0,0|2,0,0]=4 1085 B3R0.2 CN(C)N TS34594 [2,0,0,0,0,0|2,0,0]=4 1086 B3R0.2 CN(C)O TS31413 [2,0,0,0,0,0|1,0,1]=4 1087 B3R0.2 CP(C)C TS71641 [2,0,0,0,0,0|1,0,1]=4 1088 B3R0.2 CP(C)C TS76280 [2,0,0,0,0,0|1,0,1]=4 1089 B3R0.2 CP(C)Cl TS03739 [2,0,0,0,0,0|2,0,0]=4 1090 B3R0.2 CS(=O)[O-] TS93511 [2,0,0,0,0,0|2,0,0]=4 1091 B3R0.2 C[Al](C)C TS71595 [2,0,0,0,0,0|1,0,1]=4 1092 B3R0.2 C[As](C)C TS32403 [2,0,0,0,0,0|1,0,1]=4 1093 B3R0.2 C[As](C)I TS25149 [2,0,0,0,0,0|2,0,0]=4 1094 B3R0.2 C[Bi](C)C TS28559 [2,0,0,0,0,0|1,0,1]=4 1095 B3R0.2 C[Ga](C)C TS32132 [2,0,0,0,0,0|1,0,1]=4 1096 B3R0.2 C[GeH](C)C TS04775 [2,0,0,0,0,0|0,1,1]=4 1097 B3R0.2 C[In](C)C TS11202 [2,0,0,0,0,0|1,0,1]=4 1098 B3R0.2 C[N+](=C)C TS15411 [2,0,0,0,0,0|1,0,0]=3 1099 B3R0.2 C[N+](=O)[O-] TS65593 [2,0,0,0,0,0|2,0,0]=4 1100 B3R0.2 C[S+](C)C TS10818 [2,0,0,0,0,0|1,0,1]=4 1101 B3R0.2 C[S+](C)C TS59468 [2,0,0,0,0,0|1,0,1]=4 1102 B3R0.2 C[Sb](C)C TS43174 [2,0,0,0,0,0|1,0,1]=4 1103 B3R0.2 C[SiH](C)C TS71620 [2,0,0,0,0,0|0,1,1]=4 1104 B3R0.2 C[SiH](C)Cl TS31361 [2,0,0,0,0,0|1,1,0]=4 1105 B3R0.2 C[SiH](C)F TS71650 [2,0,0,0,0,0|1,1,0]=4 1106 B3R0.2 C[Sn+](C)C TS59840 [2,0,0,0,0,0|1,0,1]=4 1107 B3R0.2 C[Sn](=O)C TS42834 [2,0,0,0,0,0|1,0,0]=3 1108 B3R0.2 C[Sn](=S)C TS14707 [2,0,0,0,0,0|1,1,0]=4 1109 B5R0.1 C(CBr)C(=O)N TS10109 [1,1,0,0,0,0|1,0,1]=4 1110 B5R0.1 C(CBr)C(=O)O TS09493 [1,1,0,0,0,0|1,0,1]=4 1111 B5R0.1 C(CCl)C(=O)Cl TS00146 [1,1,0,0,0,0|1,0,1]=4 1112 B5R0.1 C(CCl)C(=O)N TS04118 [1,1,0,0,0,0|1,0,1]=4 1113 B5R0.1 C(CCl)C(=O)O TS04159 [1,1,0,0,0,0|1,0,1]=4 1114 B5R0.1 C(CI)C(=O)O TS18918 [1,1,0,0,0,0|1,0,1]=4 1115 B5R0.1 C(CN)C(=O)N TS36032 [1,1,0,0,0,0|1,0,1]=4 1116 B5R0.1 C(CN)C(=O)O TS02667 [1,1,0,0,0,0|1,0,1]=4 1117 B5R0.1 C(CO)C(=O)O TS16373 [1,1,0,0,0,0|1,0,1]=4 1118 B5R0.1 C(CO)[N+](=O)[O-] TS01787 [1,1,0,0,0,0|2,0,0]=4 1119 B5R0.1 C(CP(=O)O)N TS94065 [1,1,0,0,0,0|2,0,0]=4 1120 B5R0.1 C(CS(=O)O)N TS31804 [1,1,0,0,0,0|2,0,0]=4 1121 B5R0.1 C(CS)C(=O)O TS04091 [1,1,0,0,0,0|1,0,1]=4 1122 B5R0.1 C=C(CCO)Br TS40970 [1,1,0,0,0,0|1,0,1]=4 1123 B5R0.1 CC#CC(=C)C TS71668 [1,1,0,0,0,0|0,0,2]=4 1124 B5R0.1 CC#CC(C)C TS71688 [1,1,0,0,0,0|0,0,2]=4 1125 B5R0.1 CC#C[C@H](C)O TS03495 [1,1,0,0,0,0|0,0,2]=4 1126 B5R0.1 CC(=C)CC#N TS03447 [1,1,0,0,0,0|0,0,2]=4 1127 B5R0.1 CC(=C)CCO TS71766 [1,1,0,0,0,0|0,0,1]=3 1128 B5R0.1 CC(=CC=C)C TS03470 [1,1,0,0,0,0|1,0,1]=4 1129 B5R0.1 CC(=CC=O)C TS03497 [1,1,0,0,0,0|0,0,1]=3 1130 B5R0.1 CC(=CCBr)C TS00408 [1,1,0,0,0,0|1,0,1]=4 1131 B5R0.1 CC(=CCCl)C TS00047 [1,1,0,0,0,0|1,0,1]=4 1132 B5R0.1 CC(=CCN)C TS04881 [1,1,0,0,0,0|1,0,1]=4 1133 B5R0.1 CC(=CCN)C TS63606 [1,1,0,0,0,0|1,0,1]=4 1134 B5R0.1 CC(=CCN)C TS70656 [1,1,0,0,0,0|1,0,1]=4 1135 B5R0.1 CC(=CCO)C TS71763 [1,1,0,0,0,0|0,0,2]=4 1136 B5R0.1 CC(=CCS)C TS03985 [1,1,0,0,0,0|0,1,1]=4 1137 B5R0.1 CC(=C[Mg]Br)C TS42096 [1,1,0,0,0,0|1,0,1]=4 1138 B5R0.1 CC(=C[SiH2]Cl)C TS04849 [1,1,0,0,0,0|1,0,1]=4 1139 B5R0.1 CC(=O)CC#N TS04063 [1,1,0,0,0,0|0,0,2]=4 1140 B5R0.1 CC(=O)CCO TS39752 [1,1,0,0,0,0|0,0,1]=3 1141 B5R0.1 CC(=O)CCS TS31678 [1,1,0,0,0,0|0,0,1]=3 1142 B5R0.1 CC(=O)COC TS03573 [1,1,0,0,0,0|0,0,1]=3 1143 B5R0.1 CC(=O)CSC TS31685 [1,1,0,0,0,0|0,0,1]=3 1144 B5R0.1 CC(=O)NCO TS08902 [1,1,0,0,0,0|1,0,1]=4 1145 B5R0.1 CC(=O)NSC TS31708 [1,1,0,0,0,0|1,0,1]=4 1146 B5R0.1 CC(=O)OC=O TS71794 [1,1,0,0,0,0|1,0,1]=4 1147 B5R0.1 CC(=O)OCBr TS16534 [1,1,0,0,0,0|1,0,1]=4 1148 B5R0.1 CC(=O)OCCl TS55809 [1,1,0,0,0,0|1,0,1]=4 1149 B5R0.1 CC(=O)O[Hg]C TS30965 [1,1,0,0,0,0|1,0,1]=4 1150 B5R0.1 CC(C)CC#C TS03469 [1,1,0,0,0,0|0,0,2]=4 1151 B5R0.1 CC(C)CC#N TS71700 [1,1,0,0,0,0|0,0,2]=4 1152 B5R0.1 CC(C)CC=O TS71746 [1,1,0,0,0,0|0,0,0]=2 1153 B5R0.1 CC(C)CCBr TS09985 [1,1,0,0,0,0|0,0,1]=3 1154 B5R0.1 CC(C)CCCl TS31743 [1,1,0,0,0,0|0,0,1]=3 1155 B5R0.1 CC(C)CCI TS18548 [1,1,0,0,0,0|0,0,1]=3 1156 B5R0.1 CC(C)CCN TS71773 [1,1,0,0,0,0|0,0,1]=3 1157 B5R0.1 CC(C)CCO TS71804 [1,1,0,0,0,0|0,0,1]=3 1158 B5R0.1 CC(C)CCS TS31696 [1,1,0,0,0,0|0,0,1]=3 1159 B5R0.1 CC(C)CC[Zn+] TS49167 [1,1,0,0,0,0|0,0,1]=3 1160 B5R0.1 CC(C)CNC TS01600 [1,1,0,0,0,0|0,0,1]=3 1161 B5R0.1 CC(C)CNN TS04103 [1,1,0,0,0,0|1,0,1]=4 1162 B5R0.1 CC(C)CON TS36090 [1,1,0,0,0,0|0,0,2]=4 1163 B5R0.1 CC(C)CSC TS31693 [1,1,0,0,0,0|0,0,1]=3 1164 B5R0.1 CC(C)N=C=O TS71736 [1,1,0,0,0,0|0,0,1]=3 1165 B5R0.1 CC(C)N=C=S TS03909 [1,1,0,0,0,0|0,1,1]=4 1166 B5R0.1 CC(C)OC=C TS03534 [1,1,0,0,0,0|1,0,0]=3 1167 B5R0.1 CC(C)OC=O TS03580 [1,1,0,0,0,0|0,0,0]=2 1168 B5R0.1 CC(C)OCCl TS04160 [1,1,0,0,0,0|1,0,1]=4 1169 B5R0.1 CC(C)ON=O TS71823 [1,1,0,0,0,0|1,0,0]=3 1170 B5R0.1 CC(C)SC#N TS03914 [1,1,0,0,0,0|1,0,1]=4 1171 B5R0.1 CC(CC#C)O TS03487 [1,1,0,0,0,0|0,0,2]=4 1172 B5R0.1 CC(CC#N)Br TS40583 [1,1,0,0,0,0|1,0,1]=4 1173 B5R0.1 CC(CC=C)O TS71743 [1,1,0,0,0,0|0,0,2]=4 1174 B5R0.1 CC(CC=O)O TS03574 [1,1,0,0,0,0|1,0,0]=3 1175 B5R0.1 CC(CCBr)Br TS21967 [1,1,0,0,0,0|1,0,0]=3 1176 B5R0.1 CC(CCN)O TS02231 [1,1,0,0,0,0|0,0,1]=3 1177 B5R0.1 CC(CCO)N TS60329 [1,1,0,0,0,0|1,0,0]=3 1178 B5R0.1 CC(CCO)O TS71832 [1,1,0,0,0,0|0,0,1]=3 1179 B5R0.1 CC(CCS)S TS04931 [1,1,0,0,0,0|0,1,0]=3 1180 B5R0.1 CC(COC)N TS03608 [1,1,0,0,0,0|1,0,0]=3 1181 B5R0.1 CC(COC)O TS71841 [1,1,0,0,0,0|0,0,1]=3 1182 B5R0.1 CC=CC(=O)C TS03499 [1,1,0,0,0,0|0,0,2]=4 1183 B5R0.1 CC=CC(C)C TS71719 [1,1,0,0,0,0|1,0,0]=3 1184 B5R0.1 CC=CC(C)O TS71747 [1,1,0,0,0,0|0,0,2]=4 1185 B5R0.1 CCC=C(C)C TS71718 [1,1,0,0,0,0|0,0,2]=4 1186 B5R0.1 CCCC(=C)C TS71722 [1,1,0,0,0,0|0,0,1]=3 1187 B5R0.1 CCCC(=O)Br TS40964 [1,1,0,0,0,0|1,0,1]=4 1188 B5R0.1 CCCC(=O)C TS71754 [1,1,0,0,0,0|0,0,1]=3 1189 B5R0.1 CCCC(=O)Cl TS16539 [1,1,0,0,0,0|1,0,1]=4 1190 B5R0.1 CCCC(=O)N TS03561 [1,1,0,0,0,0|1,0,1]=4 1191 B5R0.1 CCCC(=O)O TS03572 [1,1,0,0,0,0|1,0,1]=4 1192 B5R0.1 CCCC(=O)O TS63934 [1,1,0,0,0,0|1,0,1]=4 1193 B5R0.1 CCCC(=O)[O-] TS04184 [1,1,0,0,0,0|1,0,1]=4 1194 B5R0.1 CCCC(=O)[O-] TS04232 [1,1,0,0,0,0|1,0,1]=4 1195 B5R0.1 CCCC(=O)[O-] TS44539 [1,1,0,0,0,0|1,0,1]=4 1196 B5R0.1 CCCC(C)Br TS09989 [1,1,0,0,0,0|1,0,0]=3 1197 B5R0.1 CCCC(C)Cl TS31741 [1,1,0,0,0,0|1,0,0]=3 1198 B5R0.1 CCCC(C)I TS18550 [1,1,0,0,0,0|1,0,0]=3 1199 B5R0.1 CCCC(C)O TS03596 [1,1,0,0,0,0|0,0,1]=3 1200 B5R0.1 CCCC(C)S TS31692 [1,1,0,0,0,0|0,1,0]=3 1201 B5R0.1 CCCC(C)[Zn+] TS49166 [1,1,0,0,0,0|1,0,0]=3 1202 B5R0.1 CCCC(Cl)Cl TS36206 [1,1,0,0,0,0|2,0,0]=4 1203 B5R0.1 CCCN(C)C TS71775 [1,1,0,0,0,0|1,0,1]=4 1204 B5R0.1 CCC[C@@H](C)O TS71801 [1,1,0,0,0,0|0,0,1]=3 1205 B5R0.1 CCC[C@H](C)O TS71800 [1,1,0,0,0,0|0,0,1]=3 1206 B5R0.1 CCC[N+](=O)[O-] TS71821 [1,1,0,0,0,0|2,0,0]=4 1207 B5R0.1 CCNC(=O)C TS03563 [1,1,0,0,0,0|0,0,1]=3 1208 B5R0.1 CCNC(=O)N TS03591 [1,1,0,0,0,0|1,0,1]=4 1209 B5R0.1 CCNC(C)C TS71777 [1,1,0,0,0,0|0,0,1]=3 1210 B5R0.1 CCOC(=C)C TS71753 [1,1,0,0,0,0|0,0,1]=3 1211 B5R0.1 CCOC(=O)C TS03585 [1,1,0,0,0,0|0,0,1]=3 1212 B5R0.1 CCOC(=O)C TS03625 [1,1,0,0,0,0|0,0,1]=3 1213 B5R0.1 CCOC(=O)C TS71827 [1,1,0,0,0,0|0,0,1]=3 1214 B5R0.1 CCOC(=O)Cl TS56143 [1,1,0,0,0,0|1,0,1]=4 1215 B5R0.1 CCOC(=O)N TS59479 [1,1,0,0,0,0|1,0,1]=4 1216 B5R0.1 CCOC(=S)C TS31684 [1,1,0,0,0,0|0,1,1]=4 1217 B5R0.1 CCOC(C)C TS03595 [1,1,0,0,0,0|0,0,1]=3 1218 B5R0.1 CCOC(C)Cl TS04164 [1,1,0,0,0,0|1,0,0]=3 1219 B5R0.1 CCO[SiH](C)C TS04048 [1,1,0,0,0,0|0,1,1]=4 1220 B5R0.1 CCSC(=S)C TS32440 [1,1,0,0,0,0|0,1,1]=4 1221 B5R0.1 CCSC(C)C TS31689 [1,1,0,0,0,0|0,0,1]=3 1222 B5R0.1 CN(C)CC=C TS56352 [1,1,0,0,0,0|2,0,0]=4 1223 B5R0.1 CN(C)CCBr TS25321 [1,1,0,0,0,0|1,0,1]=4 1224 B5R0.1 CN(C)CCN TS00990 [1,1,0,0,0,0|1,0,1]=4 1225 B5R0.1 CN(C)CCO TS03600 [1,1,0,0,0,0|1,0,1]=4 1226 B5R0.1 CN(C)CCS TS31711 [1,1,0,0,0,0|1,0,1]=4 1227 B5R0.1 CN(C)CCS TS37538 [1,1,0,0,0,0|1,0,1]=4 1228 B5R0.1 CN(C)CCS TS37540 [1,1,0,0,0,0|1,0,1]=4 1229 B5R0.1 CNCC(=O)N TS36031 [1,1,0,0,0,0|1,0,1]=4 1230 B5R0.1 CNCC(=O)O TS34582 [1,1,0,0,0,0|1,0,1]=4 1231 B5R0.1 CNCC(=O)O TS36080 [1,1,0,0,0,0|1,0,1]=4 1232 B5R0.1 CNCC(=O)[O-] TS04231 [1,1,0,0,0,0|1,0,1]=4 1233 B5R0.1 COCC(=O)O TS03620 [1,1,0,0,0,0|1,0,1]=4 1234 B5R0.1 CSCC(=O)N TS93570 [1,1,0,0,0,0|1,0,1]=4 1235 B5R0.1 CSCS(=O)C TS05065 [1,1,0,0,0,0|1,0,0]=3 1236 B5R0.1 C[C@@H](CC#N)O TS71734 [1,1,0,0,0,0|0,0,2]=4 1237 B5R0.1 C[C@@H](CCO)O TS71843 [1,1,0,0,0,0|0,0,1]=3 1238 B5R0.1 C[C@@H](COC)N TS03602 [1,1,0,0,0,0|1,0,0]=3 1239 B5R0.1 C[C@@H](COC)O TS71834 [1,1,0,0,0,0|0,0,1]=3 1240 B5R0.1 C[C@H](CC#N)O TS03507 [1,1,0,0,0,0|0,0,2]=4 1241 B5R0.1 C[C@H](CC=C)O TS03535 [1,1,0,0,0,0|0,0,2]=4 1242 B5R0.1 C[C@H](CCO)N TS93947 [1,1,0,0,0,0|1,0,0]=3 1243 B5R0.1 C[C@H](CCO)O TS71835 [1,1,0,0,0,0|0,0,1]=3 1244 B5R0.1 C[C@H](COC)O TS00301 [1,1,0,0,0,0|0,0,1]=3 1245 B5R0.1 C[SiH](C)CC=C TS03888 [1,1,0,0,0,0|1,1,0]=4 1246 B5R0.4 C(=O)C(Br)(Br)Br TS34263 [1,1,0,0,0,0|2,0,0]=4 1247 B5R0.4 C(=O)C(Cl)(Cl)Cl TS65202 [1,1,0,0,0,0|2,0,0]=4 1248 B5R0.4 C(=O)C(F)(F)Cl TS36727 [1,1,0,0,0,0|2,0,0]=4 1249 B5R0.4 C(=O)C(F)(F)F TS47107 [1,1,0,0,0,0|2,0,0]=4 1250 B5R0.4 CC(C)(C#C)Cl TS00139 [1,1,0,0,0,0|1,0,1]=4 1251 B5R0.4 CC(C)(C#C)N TS60199 [1,1,0,0,0,0|1,0,1]=4 1252 B5R0.4 CC(C)(C#C)O TS01134 [1,1,0,0,0,0|1,0,1]=4 1253 B5R0.4 CC(C)(C#N)N TS03500 [1,1,0,0,0,0|1,0,1]=4 1254 B5R0.4 CC(C)(C#N)O TS39666 [1,1,0,0,0,0|1,0,1]=4 1255 B5R0.4 CC(C)(C)C#C TS03471 [1,1,0,0,0,0|1,0,1]=4 1256 B5R0.4 CC(C)(C)C=C TS71723 [1,1,0,0,0,0|1,0,0]=3 1257 B5R0.4 CC(C)(C)C=O TS39621 [1,1,0,0,0,0|0,0,0]=2 1258 B5R0.4 CC(C)(C)CBr TS09986 [1,1,0,0,0,0|1,0,1]=4 1259 B5R0.4 CC(C)(C)CI TS18545 [1,1,0,0,0,0|1,0,1]=4 1260 B5R0.4 CC(C)(C)CN TS48743 [1,1,0,0,0,0|1,0,1]=4 1261 B5R0.4 CC(C)(C)CN TS71779 [1,1,0,0,0,0|1,0,1]=4 1262 B5R0.4 CC(C)(C)CO TS71802 [1,1,0,0,0,0|0,0,2]=4 1263 B5R0.4 CC(C)(C)N=C TS03511 [1,1,0,0,0,0|2,0,0]=4 1264 B5R0.4 CC(C)(C)N=O TS45822 [1,1,0,0,0,0|1,0,0]=3 1265 B5R0.4 CC(C)(C)NC TS71784 [1,1,0,0,0,0|1,0,1]=4 1266 B5R0.4 CC(C)(C)NO TS03606 [1,1,0,0,0,0|1,0,1]=4 1267 B5R0.4 CC(C)(C)NO TS36087 [1,1,0,0,0,0|1,0,1]=4 1268 B5R0.4 CC(C)(C)OC TS00061 [1,1,0,0,0,0|1,0,1]=4 1269 B5R0.4 CC(C)(C)ON TS36088 [1,1,0,0,0,0|2,0,0]=4 1270 B5R0.4 CC(C)(C)OO TS71845 [1,1,0,0,0,0|1,0,1]=4 1271 B5R0.4 CC(C)(C)SC TS31695 [1,1,0,0,0,0|1,0,1]=4 1272 B5R0.4 CC(C)(C)[Mg]Cl TS32261 [1,1,0,0,0,0|2,0,0]=4 1273 B5R0.4 CC(C)(C)[N+]#[C-] TS71703 [1,1,0,0,0,0|2,0,0]=4 1274 B5R0.4 CC(C)(C=C)Cl TS04056 [1,1,0,0,0,0|1,0,0]=3 1275 B5R0.4 CC(C)(C=C)O TS71761 [1,1,0,0,0,0|1,0,0]=3 1276 B5R0.4 CC(C)(C=O)[O-] TS82002 [1,1,0,0,0,0|0,0,0]=2 1277 B5R0.4 CC(C)(CBr)Br TS21964 [1,1,0,0,0,0|1,0,1]=4 1278 B5R0.4 CC(C)(CBr)F TS10538 [1,1,0,0,0,0|1,0,1]=4 1279 B5R0.4 CC(C)(CCl)Br TS13061 [1,1,0,0,0,0|1,0,1]=4 1280 B5R0.4 CC(C)(CCl)O TS04161 [1,1,0,0,0,0|1,0,1]=4 1281 B5R0.4 CC(C)(CF)N TS05291 [1,1,0,0,0,0|1,0,1]=4 1282 B5R0.4 CC(C)(CN)N TS94127 [1,1,0,0,0,0|1,0,1]=4 1283 B5R0.4 CC(C)(CO)N TS36086 [1,1,0,0,0,0|0,0,2]=4 1284 B5R0.4 CC(C)(CO)O TS71839 [1,1,0,0,0,0|0,0,2]=4 1285 B5R0.4 CC(CBr)(Br)Br TS54388 [1,1,0,0,0,0|2,0,0]=4 1286 B5R0.4 CC(CCl)(F)Cl TS05626 [1,1,0,0,0,0|2,0,0]=4 1287 B5R0.4 CC(CN)(F)F TS36635 [1,1,0,0,0,0|2,0,0]=4 1288 B5R0.4 CC(CO)(F)F TS34630 [1,1,0,0,0,0|2,0,0]=4 1289 B5R0.4 CCC(C)(C)C TS03545 [1,1,0,0,0,0|0,0,1]=3 1290 B5R0.4 CCC(C)(C)F TS71847 [1,1,0,0,0,0|0,0,1]=3 1291 B5R0.4 CCC(C)(C)I TS18551 [1,1,0,0,0,0|0,0,1]=3 1292 B5R0.4 CCC(C)(C)N TS71778 [1,1,0,0,0,0|0,0,1]=3 1293 B5R0.4 CCC(C)(C)O TS02090 [1,1,0,0,0,0|0,0,1]=3 1294 B5R0.4 CCC(C)(C)S TS31694 [1,1,0,0,0,0|0,0,1]=3 1295 B5R0.4 CCC(C)(C)[O-] TS31830 [1,1,0,0,0,0|0,0,1]=3 1296 B5R0.4 CCC(C)(C)[O-] TS36175 [1,1,0,0,0,0|0,0,1]=3 1297 B5R0.4 CCC(C)(C)[Zn+] TS49170 [1,1,0,0,0,0|0,0,1]=3 1298 B5R0.4 CCC(C)(Cl)Cl TS36205 [1,1,0,0,0,0|1,0,0]=3 1299 B5R0.4 CCC(F)(F)F TS03753 [1,1,0,0,0,0|2,0,0]=4 1300 B5R0.4 CCP(=O)(O)O TS04177 [1,1,0,0,0,0|2,0,0]=4 1301 B5R0.4 CCS(=O)(=O)C TS31782 [1,1,0,0,0,0|1,0,0]=3 1302 B5R0.4 CCS(=O)(=O)Cl TS36380 [1,1,0,0,0,0|2,0,0]=4 1303 B5R0.4 CCS(=O)(=O)N TS01909 [1,1,0,0,0,0|2,0,0]=4 1304 B5R0.4 CCS(=O)(=O)O TS31833 [1,1,0,0,0,0|2,0,0]=4 1305 B5R0.4 CCS(=O)(=O)[O-] TS93866 [1,1,0,0,0,0|2,0,0]=4 1306 B5R0.4 CC[Si](C)(C)C TS39386 [1,1,0,0,0,0|0,1,1]=4 1307 B5R0.4 CC[Si](C)(C)Cl TS32542 [1,1,0,0,0,0|0,1,1]=4 1308 B5R0.4 CC[Si](C)(Cl)Cl TS40046 [1,1,0,0,0,0|1,1,0]=4 1309 B5R0.4 CNS(=O)(=O)C TS01602 [1,1,0,0,0,0|2,0,0]=4 1310 B5R0.4 COP(=O)(C)O TS04178 [1,1,0,0,0,0|2,0,0]=4 1311 B5R0.4 COS(=O)(=O)C TS31832 [1,1,0,0,0,0|2,0,0]=4 1312 B5R0.4 CP(=O)(CCl)Cl TS40484 [1,1,0,0,0,0|2,0,0]=4 1313 B5R0.4 CSS(=O)(=O)C TS36163 [1,1,0,0,0,0|2,0,0]=4 1314 B5R0.4 C[Si](C)(C)C=C TS03889 [1,1,0,0,0,0|1,1,0]=4 1315 B5R0.4 C[Si](C)(C=C)F TS31688 [1,1,0,0,0,0|1,1,0]=4 1316 B5R0.4 [Li]CC(C)(C)C TS03430 [1,1,0,0,0,0|1,0,1]=4 1317 B5R0.5 B(C(C)C)(O)O TS56191 [1,1,0,0,0,0|1,0,1]=4 1318 B5R0.5 C(C(=O)Cl)(Cl)Cl TS07381 [1,1,0,0,0,0|2,0,0]=4 1319 B5R0.5 C(C(=O)Cl)(F)Cl TS36580 [1,1,0,0,0,0|2,0,0]=4 1320 B5R0.5 C(C(=O)Cl)(F)F TS32127 [1,1,0,0,0,0|2,0,0]=4 1321 B5R0.5 C(C(=O)F)(Cl)Cl TS36581 [1,1,0,0,0,0|2,0,0]=4 1322 B5R0.5 C(C(=O)F)(F)Cl TS32128 [1,1,0,0,0,0|2,0,0]=4 1323 B5R0.5 C(C(=O)F)(F)F TS31418 [1,1,0,0,0,0|2,0,0]=4 1324 B5R0.5 C(C(=O)N)(Cl)Cl TS05298 [1,1,0,0,0,0|2,0,0]=4 1325 B5R0.5 C(C(=O)N)(F)Br TS41564 [1,1,0,0,0,0|2,0,0]=4 1326 B5R0.5 C(C(=O)N)(F)Cl TS31896 [1,1,0,0,0,0|2,0,0]=4 1327 B5R0.5 C(C(=O)N)(F)F TS03689 [1,1,0,0,0,0|2,0,0]=4 1328 B5R0.5 C(C(=O)N)(F)I TS38361 [1,1,0,0,0,0|2,0,0]=4 1329 B5R0.5 C(C(=O)O)(Br)Br TS22308 [1,1,0,0,0,0|2,0,0]=4 1330 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [1,1,0,0,0,0|2,0,0]=4 1331 B5R0.5 C(C(=O)O)(F)Cl TS31986 [1,1,0,0,0,0|2,0,0]=4 1332 B5R0.5 C(C(=O)O)(F)F TS01438 [1,1,0,0,0,0|2,0,0]=4 1333 B5R0.5 C(C(=O)[O-])(Cl)Cl TS55848 [1,1,0,0,0,0|2,0,0]=4 1334 B5R0.5 C(C(=O)[O-])(F)Br TS14323 [1,1,0,0,0,0|2,0,0]=4 1335 B5R0.5 C(C(=O)[O-])(F)Cl TS05935 [1,1,0,0,0,0|2,0,0]=4 1336 B5R0.5 C(C(=O)[O-])(F)F TS31570 [1,1,0,0,0,0|2,0,0]=4 1337 B5R0.5 CC(=C(C)Br)C TS07531 [1,1,0,0,0,0|1,0,1]=4 1338 B5R0.5 CC(=C(C)C)C TS71721 [1,1,0,0,0,0|1,0,1]=4 1339 B5R0.5 CC(=C(C)[NH3+])C TS04005 [1,1,0,0,0,0|1,0,1]=4 1340 B5R0.5 CC(=C)C(=C)C TS71685 [1,1,0,0,0,0|0,0,2]=4 1341 B5R0.5 CC(=C)C(=O)C TS03485 [1,1,0,0,0,0|0,0,2]=4 1342 B5R0.5 CC(=C)C(=O)Cl TS56226 [1,1,0,0,0,0|0,0,2]=4 1343 B5R0.5 CC(=C)C(=O)F TS03570 [1,1,0,0,0,0|0,0,2]=4 1344 B5R0.5 CC(=C)C(=O)N TS71737 [1,1,0,0,0,0|0,0,2]=4 1345 B5R0.5 CC(=C)C(=O)O TS56224 [1,1,0,0,0,0|0,0,2]=4 1346 B5R0.5 CC(=C)C(=O)[O-] TS03649 [1,1,0,0,0,0|0,0,2]=4 1347 B5R0.5 CC(=C)C(=O)[O-] TS04134 [1,1,0,0,0,0|0,0,2]=4 1348 B5R0.5 CC(=C)C(=O)[O-] TS17588 [1,1,0,0,0,0|0,0,2]=4 1349 B5R0.5 CC(=C)C(=O)[O-] TS17954 [1,1,0,0,0,0|0,0,2]=4 1350 B5R0.5 CC(=C)C(=O)[O-] TS20934 [1,1,0,0,0,0|0,0,2]=4 1351 B5R0.5 CC(=C)C(=O)[O-] TS25799 [1,1,0,0,0,0|0,0,2]=4 1352 B5R0.5 CC(=C)C(=O)[O-] TS35997 [1,1,0,0,0,0|0,0,2]=4 1353 B5R0.5 CC(=C)C(=O)[O-] TS45223 [1,1,0,0,0,0|0,0,2]=4 1354 B5R0.5 CC(=C)C(=O)[O-] TS60851 [1,1,0,0,0,0|0,0,2]=4 1355 B5R0.5 CC(=C)C(=O)[O-] TS67081 [1,1,0,0,0,0|0,0,2]=4 1356 B5R0.5 CC(=C)C(=O)[O-] TS68528 [1,1,0,0,0,0|0,0,2]=4 1357 B5R0.5 CC(=C)C(=O)[O-] TS70135 [1,1,0,0,0,0|0,0,2]=4 1358 B5R0.5 CC(=C)C(=O)[O-] TS78671 [1,1,0,0,0,0|0,0,2]=4 1359 B5R0.5 CC(=O)C(=O)C TS03530 [1,1,0,0,0,0|0,0,2]=4 1360 B5R0.5 CC(=O)C(=O)O TS71795 [1,1,0,0,0,0|1,0,1]=4 1361 B5R0.5 CC(=O)C(=O)[O-] TS04176 [1,1,0,0,0,0|1,0,1]=4 1362 B5R0.5 CC(=O)C(=O)[O-] TS36114 [1,1,0,0,0,0|1,0,1]=4 1363 B5R0.5 CC(=O)C(=O)[O-] TS44476 [1,1,0,0,0,0|1,0,1]=4 1364 B5R0.5 CC(=O)C(=O)[O-] TS71885 [1,1,0,0,0,0|1,0,1]=4 1365 B5R0.5 CC(=O)C(Cl)Cl TS36198 [1,1,0,0,0,0|1,0,1]=4 1366 B5R0.5 CC(=O)C(F)F TS03662 [1,1,0,0,0,0|1,0,1]=4 1367 B5R0.5 CC(=O)C(O)O TS46028 [1,1,0,0,0,0|1,0,1]=4 1368 B5R0.5 CC(=O)N(C)C TS03557 [1,1,0,0,0,0|1,0,0]=3 1369 B5R0.5 CC(=S)N(C)C TS04015 [1,1,0,0,0,0|1,1,0]=4 1370 B5R0.5 CC(C(=C)C)O TS71758 [1,1,0,0,0,0|0,0,1]=3 1371 B5R0.5 CC(C(=O)Br)Br TS93904 [1,1,0,0,0,0|1,0,0]=3 1372 B5R0.5 CC(C(=O)C)Br TS40972 [1,1,0,0,0,0|0,0,1]=3 1373 B5R0.5 CC(C(=O)C)Cl TS31738 [1,1,0,0,0,0|0,0,1]=3 1374 B5R0.5 CC(C(=O)C)F TS71828 [1,1,0,0,0,0|0,0,1]=3 1375 B5R0.5 CC(C(=O)C)O TS03581 [1,1,0,0,0,0|0,0,1]=3 1376 B5R0.5 CC(C(=O)C)S TS60015 [1,1,0,0,0,0|0,0,1]=3 1377 B5R0.5 CC(C(=O)Cl)Br TS45375 [1,1,0,0,0,0|1,0,0]=3 1378 B5R0.5 CC(C(=O)Cl)Cl TS36199 [1,1,0,0,0,0|1,0,0]=3 1379 B5R0.5 CC(C(=O)N)Br TS10108 [1,1,0,0,0,0|1,0,0]=3 1380 B5R0.5 CC(C(=O)N)Cl TS04116 [1,1,0,0,0,0|1,0,0]=3 1381 B5R0.5 CC(C(=O)N)O TS71825 [1,1,0,0,0,0|1,0,0]=3 1382 B5R0.5 CC(C(=O)O)Br TS10263 [1,1,0,0,0,0|1,0,0]=3 1383 B5R0.5 CC(C(=O)O)Br TS41327 [1,1,0,0,0,0|1,0,0]=3 1384 B5R0.5 CC(C(=O)O)Cl TS04158 [1,1,0,0,0,0|1,0,0]=3 1385 B5R0.5 CC(C(=O)O)F TS02005 [1,1,0,0,0,0|1,0,0]=3 1386 B5R0.5 CC(C(=O)O)N TS71826 [1,1,0,0,0,0|1,0,0]=3 1387 B5R0.5 CC(C(=O)O)O TS03619 [1,1,0,0,0,0|1,0,0]=3 1388 B5R0.5 CC(C(=O)O)O TS69796 [1,1,0,0,0,0|1,0,0]=3 1389 B5R0.5 CC(C(=O)O)S TS04090 [1,1,0,0,0,0|1,0,0]=3 1390 B5R0.5 CC(C(=O)[O-])O TS04267 [1,1,0,0,0,0|1,0,0]=3 1391 B5R0.5 CC(C(=O)[O-])O TS21805 [1,1,0,0,0,0|1,0,0]=3 1392 B5R0.5 CC(C(=O)[O-])O TS25875 [1,1,0,0,0,0|1,0,0]=3 1393 B5R0.5 CC(C(=O)[O-])O TS49421 [1,1,0,0,0,0|1,0,0]=3 1394 B5R0.5 CC(C(=O)[O-])O TS53785 [1,1,0,0,0,0|1,0,0]=3 1395 B5R0.5 CC(C(=O)[O-])O TS60724 [1,1,0,0,0,0|1,0,0]=3 1396 B5R0.5 CC(C(=O)[O-])O TS67922 [1,1,0,0,0,0|1,0,0]=3 1397 B5R0.5 CC(C(=O)[O-])O TS82339 [1,1,0,0,0,0|1,0,0]=3 1398 B5R0.5 CC(C(=O)[O-])O TS93633 [1,1,0,0,0,0|1,0,0]=3 1399 B5R0.5 CC(C(=O)[O-])O TS94684 [1,1,0,0,0,0|1,0,0]=3 1400 B5R0.5 CC(C(=O)[O-])O TS94690 [1,1,0,0,0,0|1,0,0]=3 1401 B5R0.5 CC(C(Br)Br)Br TS54386 [1,1,0,0,0,0|2,0,0]=4 1402 B5R0.5 CC(C(C)Br)Br TS21965 [1,1,0,0,0,0|1,0,0]=3 1403 B5R0.5 CC(C(C)O)O TS71844 [1,1,0,0,0,0|0,0,1]=3 1404 B5R0.5 CC(C(C)S)O TS04106 [1,1,0,0,0,0|0,0,1]=3 1405 B5R0.5 CC(C(C)S)S TS04935 [1,1,0,0,0,0|0,1,0]=3 1406 B5R0.5 CC(C(Cl)Br)Br TS25943 [1,1,0,0,0,0|2,0,0]=4 1407 B5R0.5 CC(C(Cl)Cl)Cl TS07384 [1,1,0,0,0,0|2,0,0]=4 1408 B5R0.5 CC(C)C(=C)C TS71720 [1,1,0,0,0,0|0,0,1]=3 1409 B5R0.5 CC(C)C(=N)N TS03540 [1,1,0,0,0,0|1,0,0]=3 1410 B5R0.5 CC(C)C(=N)N TS32540 [1,1,0,0,0,0|1,0,0]=3 1411 B5R0.5 CC(C)C(=O)Br TS40967 [1,1,0,0,0,0|0,0,0]=2 1412 B5R0.5 CC(C)C(=O)C TS39716 [1,1,0,0,0,0|0,0,0]=2 1413 B5R0.5 CC(C)C(=O)Cl TS31739 [1,1,0,0,0,0|0,0,0]=2 1414 B5R0.5 CC(C)C(=O)F TS71829 [1,1,0,0,0,0|0,0,0]=2 1415 B5R0.5 CC(C)C(=O)N TS01506 [1,1,0,0,0,0|0,0,0]=2 1416 B5R0.5 CC(C)C(=O)O TS85221 [1,1,0,0,0,0|0,0,0]=2 1417 B5R0.5 CC(C)C(=O)[O-] TS03660 [1,1,0,0,0,0|0,0,0]=2 1418 B5R0.5 CC(C)C(=O)[O-] TS04185 [1,1,0,0,0,0|0,0,0]=2 1419 B5R0.5 CC(C)C(=O)[O-] TS36146 [1,1,0,0,0,0|0,0,0]=2 1420 B5R0.5 CC(C)C(=O)[O-] TS44540 [1,1,0,0,0,0|0,0,0]=2 1421 B5R0.5 CC(C)C(C)Br TS08308 [1,1,0,0,0,0|0,0,1]=3 1422 B5R0.5 CC(C)C(C)C TS03547 [1,1,0,0,0,0|0,0,1]=3 1423 B5R0.5 CC(C)C(C)N TS71776 [1,1,0,0,0,0|0,0,1]=3 1424 B5R0.5 CC(C)C(C)O TS03594 [1,1,0,0,0,0|0,0,1]=3 1425 B5R0.5 CC(C)C(C)S TS31690 [1,1,0,0,0,0|0,0,1]=3 1426 B5R0.5 CC(C)N(C)C TS71780 [1,1,0,0,0,0|1,0,1]=4 1427 B5R0.5 CC(C)P(Cl)Cl TS07060 [1,1,0,0,0,0|2,0,0]=4 1428 B5R0.5 CC(C)[N+](=O)[O-] TS00110 [1,1,0,0,0,0|1,0,0]=3 1429 B5R0.5 CC(C)[SiH](C)C TS03987 [1,1,0,0,0,0|0,1,1]=4 1430 B5R0.5 CN(C)C(=N)N TS04993 [1,1,0,0,0,0|2,0,0]=4 1431 B5R0.5 CN(C)C(=O)Cl TS04117 [1,1,0,0,0,0|1,0,0]=3 1432 B5R0.5 CN(C)C(=O)N TS03592 [1,1,0,0,0,0|1,0,0]=3 1433 B5R0.5 CN(C)C(=O)O TS05907 [1,1,0,0,0,0|1,0,0]=3 1434 B5R0.5 CN(C)C(=S)Cl TS09052 [1,1,0,0,0,0|1,1,0]=4 1435 B5R0.5 CN(C)C(=S)[S-] TS04874 [1,1,0,0,0,0|1,1,0]=4 1436 B5R0.5 CN(C)C(=S)[S-] TS11177 [1,1,0,0,0,0|1,1,0]=4 1437 B5R0.5 CN(C)C(=S)[S-] TS40093 [1,1,0,0,0,0|1,1,0]=4 1438 B5R0.5 CN(C)C(=S)[S-] TS60533 [1,1,0,0,0,0|1,1,0]=4 1439 B5R0.5 CN(C)C(=[Se])N TS09993 [1,1,0,0,0,0|1,1,0]=4 1440 B5R0.5 C[C@@H](C(=O)N)N TS01517 [1,1,0,0,0,0|1,0,0]=3 1441 B5R0.5 C[C@@H](C(=O)N)N TS03590 [1,1,0,0,0,0|1,0,0]=3 1442 B5R0.5 C[C@@H](C(=O)N)O TS59860 [1,1,0,0,0,0|1,0,0]=3 1443 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [1,1,0,0,0,0|1,0,0]=3 1444 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [1,1,0,0,0,0|1,0,0]=3 1445 B5R0.5 C[C@@H](C(=O)O)N TS01516 [1,1,0,0,0,0|1,0,0]=3 1446 B5R0.5 C[C@@H](C(=O)O)N TS03624 [1,1,0,0,0,0|1,0,0]=3 1447 B5R0.5 C[C@@H](C(=O)O)O TS39672 [1,1,0,0,0,0|1,0,0]=3 1448 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [1,1,0,0,0,0|1,0,0]=3 1449 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [1,1,0,0,0,0|1,0,0]=3 1450 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [1,1,0,0,0,0|1,0,0]=3 1451 B5R0.5 C[C@@H](C(C)C)N TS71787 [1,1,0,0,0,0|0,0,1]=3 1452 B5R0.5 C[C@@H]([C@H](C)O)O TS85107 [1,1,0,0,0,0|0,0,1]=3 1453 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [1,1,0,0,0,0|1,0,0]=3 1454 B5R0.5 C[C@H](C(=O)N)N TS46606 [1,1,0,0,0,0|1,0,0]=3 1455 B5R0.5 C[C@H](C(=O)N)N TS60179 [1,1,0,0,0,0|1,0,0]=3 1456 B5R0.5 C[C@H](C(=O)N)O TS71820 [1,1,0,0,0,0|1,0,0]=3 1457 B5R0.5 C[C@H](C(=O)O)Br TS10264 [1,1,0,0,0,0|1,0,0]=3 1458 B5R0.5 C[C@H](C(=O)O)O TS03621 [1,1,0,0,0,0|1,0,0]=3 1459 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [1,1,0,0,0,0|1,0,0]=3 1460 B5R0.5 C[C@H](C(C)C)N TS71786 [1,1,0,0,0,0|0,0,1]=3 1461 B5R0.5 C[C@H]([C@@H](C)O)O TS85106 [1,1,0,0,0,0|0,0,1]=3 1462 B5R0.5 C[C@H]([C@H](C)O)O TS71842 [1,1,0,0,0,0|0,0,1]=3 1463 B5R0.5 C[N+](=C(Cl)Cl)C TS42521 [1,1,0,0,0,0|2,0,0]=4 1464 B5R0.2 C#CCCCCl TS60430 [1,1,0,0,0,0|1,0,1]=4 1465 B5R0.2 C#CCCCO TS71278 [1,1,0,0,0,0|1,0,1]=4 1466 B5R0.2 C(C#N)OC=O TS71729 [1,1,0,0,0,0|1,0,1]=4 1467 B5R0.2 C(CBr)N=C=O TS40811 [1,1,0,0,0,0|1,0,1]=4 1468 B5R0.2 C(CC#N)C=O TS71698 [1,1,0,0,0,0|0,0,1]=3 1469 B5R0.2 C(CC#N)CCl TS33156 [1,1,0,0,0,0|1,0,1]=4 1470 B5R0.2 C(CC#N)CI TS17989 [1,1,0,0,0,0|1,0,1]=4 1471 B5R0.2 C(CC#N)C[Zn+] TS21545 [1,1,0,0,0,0|1,0,1]=4 1472 B5R0.2 C(CC=O)C=O TS03527 [1,1,0,0,0,0|0,0,1]=3 1473 B5R0.2 C(CC=O)C=O TS58456 [1,1,0,0,0,0|0,0,1]=3 1474 B5R0.2 C(CCBr)CBr TS07886 [1,1,0,0,0,0|1,0,1]=4 1475 B5R0.2 C(CCBr)CCl TS45376 [1,1,0,0,0,0|1,0,1]=4 1476 B5R0.2 C(CCBr)CF TS10539 [1,1,0,0,0,0|1,0,1]=4 1477 B5R0.2 C(CCBr)CO TS39737 [1,1,0,0,0,0|0,0,2]=4 1478 B5R0.2 C(CCCl)CCl TS36204 [1,1,0,0,0,0|1,0,1]=4 1479 B5R0.2 C(CCCl)CO TS33155 [1,1,0,0,0,0|0,0,2]=4 1480 B5R0.2 C(CCF)CF TS03666 [1,1,0,0,0,0|1,0,1]=4 1481 B5R0.2 C(CCF)CO TS03655 [1,1,0,0,0,0|0,0,2]=4 1482 B5R0.2 C(CCI)CCl TS49510 [1,1,0,0,0,0|1,0,1]=4 1483 B5R0.2 C(CCI)CI TS76368 [1,1,0,0,0,0|1,0,1]=4 1484 B5R0.2 C(CCO)CN TS03609 [1,1,0,0,0,0|0,0,2]=4 1485 B5R0.2 C(CCO)CO TS00383 [1,1,0,0,0,0|0,0,2]=4 1486 B5R0.2 C(CCS)CO TS04107 [1,1,0,0,0,0|0,0,2]=4 1487 B5R0.2 C(CCS)CS TS04933 [1,1,0,0,0,0|0,1,1]=4 1488 B5R0.2 C(CC[Zn+])CCl TS25983 [1,1,0,0,0,0|1,0,1]=4 1489 B5R0.2 C(CCl)N=C=O TS31715 [1,1,0,0,0,0|1,0,1]=4 1490 B5R0.2 C(CON)CS TS93047 [1,1,0,0,0,0|2,0,0]=4 1491 B5R0.2 C=CCCC#N TS03446 [1,1,0,0,0,0|1,0,1]=4 1492 B5R0.2 C=CCCC=C TS39876 [1,1,0,0,0,0|1,0,1]=4 1493 B5R0.2 C=CCCC=O TS03486 [1,1,0,0,0,0|0,0,1]=3 1494 B5R0.2 C=CCCCBr TS71399 [1,1,0,0,0,0|1,0,0]=3 1495 B5R0.2 C=CCCCCl TS04057 [1,1,0,0,0,0|1,0,0]=3 1496 B5R0.2 C=CCCCN TS03513 [1,1,0,0,0,0|1,0,0]=3 1497 B5R0.2 C=CCCCN TS04880 [1,1,0,0,0,0|1,0,0]=3 1498 B5R0.2 C=CCCCO TS33172 [1,1,0,0,0,0|1,0,0]=3 1499 B5R0.2 C=CCCC[Zn+] TS44589 [1,1,0,0,0,0|1,0,0]=3 1500 B5R0.2 C=CCC[Mg]Br TS42097 [1,1,0,0,0,0|2,0,0]=4 1501 B5R0.2 C=CCNC=O TS03504 [1,1,0,0,0,0|0,0,2]=4 1502 B5R0.2 C=CCOC=O TS71740 [1,1,0,0,0,0|0,0,2]=4 1503 B5R0.2 C=COCCO TS03575 [1,1,0,0,0,0|2,0,0]=4 1504 B5R0.2 CC#CCC=C TS71671 [1,1,0,0,0,0|1,0,1]=4 1505 B5R0.2 CC=CCCO TS71749 [1,1,0,0,0,0|1,0,1]=4 1506 B5R0.2 CCC#CC=C TS71669 [1,1,0,0,0,0|1,0,1]=4 1507 B5R0.2 CCC=CC=C TS03467 [1,1,0,0,0,0|1,0,1]=4 1508 B5R0.2 CCC=CC=O TS03498 [1,1,0,0,0,0|0,0,1]=3 1509 B5R0.2 CCCC#CC TS71682 [1,1,0,0,0,0|1,0,1]=4 1510 B5R0.2 CCCC#CI TS51737 [1,1,0,0,0,0|1,0,1]=4 1511 B5R0.2 CCCC=NO TS03560 [1,1,0,0,0,0|0,0,1]=3 1512 B5R0.2 CCCCC#C TS71687 [1,1,0,0,0,0|1,0,1]=4 1513 B5R0.2 CCCCC#N TS71704 [1,1,0,0,0,0|1,0,1]=4 1514 B5R0.2 CCCCC=C TS71713 [1,1,0,0,0,0|1,0,0]=3 1515 B5R0.2 CCCCC=O TS71764 [1,1,0,0,0,0|0,0,0]=2 1516 B5R0.2 CCCCCBr TS00039 [1,1,0,0,0,0|1,0,1]=4 1517 B5R0.2 CCCCCCl TS31742 [1,1,0,0,0,0|1,0,1]=4 1518 B5R0.2 CCCCCF TS71848 [1,1,0,0,0,0|1,0,1]=4 1519 B5R0.2 CCCCCI TS18547 [1,1,0,0,0,0|1,0,1]=4 1520 B5R0.2 CCCCCN TS71782 [1,1,0,0,0,0|1,0,1]=4 1521 B5R0.2 CCCCCO TS46186 [1,1,0,0,0,0|0,0,2]=4 1522 B5R0.2 CCCCCO TS71798 [1,1,0,0,0,0|0,0,2]=4 1523 B5R0.2 CCCCCS TS31699 [1,1,0,0,0,0|0,1,1]=4 1524 B5R0.2 CCCCC[Si] TS03986 [1,1,0,0,0,0|1,0,1]=4 1525 B5R0.2 CCCCC[Zn+] TS49168 [1,1,0,0,0,0|1,0,1]=4 1526 B5R0.2 CCCCNC TS71774 [1,1,0,0,0,0|1,0,1]=4 1527 B5R0.2 CCCCNN TS14187 [1,1,0,0,0,0|1,0,1]=4 1528 B5R0.2 CCCCNN TS36035 [1,1,0,0,0,0|1,0,1]=4 1529 B5R0.2 CCCCON TS36085 [1,1,0,0,0,0|0,0,2]=4 1530 B5R0.2 CCCCON TS93805 [1,1,0,0,0,0|0,0,2]=4 1531 B5R0.2 CCCCSC TS31691 [1,1,0,0,0,0|0,1,1]=4 1532 B5R0.2 CCCC[Mg]Br TS11455 [1,1,0,0,0,0|1,0,1]=4 1533 B5R0.2 CCCC[Mg]Cl TS32260 [1,1,0,0,0,0|1,0,1]=4 1534 B5R0.2 CCCC[N+]#[C-] TS71702 [1,1,0,0,0,0|1,0,1]=4 1535 B5R0.2 CCCC[Sn]=O TS17583 [1,1,0,0,0,0|0,0,1]=3 1536 B5R0.2 CCCN=C=O TS03505 [1,1,0,0,0,0|0,0,1]=3 1537 B5R0.2 CCCN=C=S TS03915 [1,1,0,0,0,0|0,1,1]=4 1538 B5R0.2 CCCNCC TS71783 [1,1,0,0,0,0|1,0,1]=4 1539 B5R0.2 CCCOC=C TS29507 [1,1,0,0,0,0|1,0,0]=3 1540 B5R0.2 CCCOC=O TS03584 [1,1,0,0,0,0|0,0,0]=2 1541 B5R0.2 CCCOCC TS71799 [1,1,0,0,0,0|1,0,1]=4 1542 B5R0.2 CCCOCCl TS04165 [1,1,0,0,0,0|1,0,1]=4 1543 B5R0.2 CCCON=O TS71824 [1,1,0,0,0,0|1,0,0]=3 1544 B5R0.2 CCCSC#N TS03911 [1,1,0,0,0,0|1,0,1]=4 1545 B5R0.2 CCCSCC TS31700 [1,1,0,0,0,0|1,0,1]=4 1546 B5R0.2 CCCSSC TS04934 [1,1,0,0,0,0|1,1,0]=4 1547 B5R0.2 CCNCCN TS71809 [1,1,0,0,0,0|1,0,1]=4 1548 B5R0.2 CCNCCO TS00085 [1,1,0,0,0,0|0,0,2]=4 1549 B5R0.2 CCOC=CBr TS40963 [1,1,0,0,0,0|1,0,1]=4 1550 B5R0.2 CCOC=CC TS71751 [1,1,0,0,0,0|1,0,1]=4 1551 B5R0.2 CCOCC=C TS71744 [1,1,0,0,0,0|1,0,0]=3 1552 B5R0.2 CCOCCBr TS10269 [1,1,0,0,0,0|1,0,1]=4 1553 B5R0.2 CCOCCCl TS04162 [1,1,0,0,0,0|1,0,1]=4 1554 B5R0.2 CCOCCO TS71837 [1,1,0,0,0,0|0,0,2]=4 1555 B5R0.2 CCSCC=C TS03981 [1,1,0,0,0,0|1,0,0]=3 1556 B5R0.2 CCSCCBr TS44968 [1,1,0,0,0,0|1,0,1]=4 1557 B5R0.2 CCSCCCl TS36036 [1,1,0,0,0,0|1,0,1]=4 1558 B5R0.2 CCSCCN TS31712 [1,1,0,0,0,0|1,0,1]=4 1559 B5R0.2 CCSCCN TS37539 [1,1,0,0,0,0|1,0,1]=4 1560 B5R0.2 CCSCCO TS59769 [1,1,0,0,0,0|0,0,2]=4 1561 B5R0.2 CNCCC#N TS03502 [1,1,0,0,0,0|1,0,1]=4 1562 B5R0.2 CNCCCCl TS40140 [1,1,0,0,0,0|1,0,1]=4 1563 B5R0.2 CNCCCN TS71808 [1,1,0,0,0,0|1,0,1]=4 1564 B5R0.2 CNCCNC TS56355 [1,1,0,0,0,0|2,0,0]=4 1565 B5R0.2 CNCCOC TS03607 [1,1,0,0,0,0|2,0,0]=4 1566 B5R0.2 COC=CC=O TS71739 [1,1,0,0,0,0|0,0,2]=4 1567 B5R0.2 COCCC#N TS46471 [1,1,0,0,0,0|1,0,1]=4 1568 B5R0.2 COCCCBr TS10272 [1,1,0,0,0,0|1,0,1]=4 1569 B5R0.2 COCCCCl TS04163 [1,1,0,0,0,0|1,0,1]=4 1570 B5R0.2 COCCCN TS03603 [1,1,0,0,0,0|1,0,1]=4 1571 B5R0.2 COCCCO TS70643 [1,1,0,0,0,0|0,0,2]=4 1572 B5R0.2 COCCOC TS07877 [1,1,0,0,0,0|2,0,0]=4 1573 B5R0.2 COCC[Hg]Cl TS58532 [1,1,0,0,0,0|2,0,0]=4 1574 B5R0.2 CSCCCN TS65714 [1,1,0,0,0,0|1,0,1]=4 1575 B5R0.2 CSCCCO TS04105 [1,1,0,0,0,0|0,0,2]=4 1576 B5R0.2 CSSCC=C TS32437 [1,1,0,0,0,0|2,0,0]=4 1577 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [1,1,0,0,0,0|1,1,0]=4 1578 B7R0.2 C(C(CN)N)C(=O)O TS32339 [0,2,0,0,0,0|2,0,0]=4 1579 B7R0.2 C([C@@H](CN)N)C(=O)O TS08133 [0,2,0,0,0,0|2,0,0]=4 1580 B7R0.2 C([C@@H](CO)N)C(=O)O TS32376 [0,2,0,0,0,0|2,0,0]=4 1581 B7R0.2 C([C@H](CN)N)C(=O)O TS08078 [0,2,0,0,0,0|2,0,0]=4 1582 B7R0.2 C([C@H](CN)O)C(=O)O TS32382 [0,2,0,0,0,0|2,0,0]=4 1583 B7R0.2 C([C@H](CO)N)C(=O)O TS74514 [0,2,0,0,0,0|2,0,0]=4 1584 B7R0.2 CC(=CC(=O)C)NC TS04388 [0,2,0,0,0,0|1,0,1]=4 1585 B7R0.2 CC(=CN(C)C)C=O TS32017 [0,2,0,0,0,0|0,0,2]=4 1586 B7R0.2 CC(=O)OC(CBr)Br TS27398 [0,2,0,0,0,0|2,0,0]=4 1587 B7R0.2 CC(C)CC(C)C=C TS04359 [0,2,0,0,0,0|1,0,0]=3 1588 B7R0.2 CC(C)CC(C)CO TS04618 [0,2,0,0,0,0|0,0,2]=4 1589 B7R0.2 CC(CN(C)C)CCl TS13112 [0,2,0,0,0,0|1,0,1]=4 1590 B7R0.2 CCC(=O)CC(=O)C TS00653 [0,2,0,0,0,0|1,0,1]=4 1591 B7R0.2 CCC(C)CC(=C)C TS04345 [0,2,0,0,0,0|1,0,0]=3 1592 B7R0.2 CCC(C)CC(=O)C TS04467 [0,2,0,0,0,0|0,0,0]=2 1593 B7R0.2 CCC(C)CC(=O)Cl TS05950 [0,2,0,0,0,0|0,0,0]=2 1594 B7R0.2 CCC(C)CC(=O)O TS04597 [0,2,0,0,0,0|0,0,0]=2 1595 B7R0.2 CCC(C)CC(C)C TS04502 [0,2,0,0,0,0|1,0,1]=4 1596 B7R0.2 CCC(C)CC(C)N TS04563 [0,2,0,0,0,0|1,0,1]=4 1597 B7R0.2 CCC(C)CC(C)N TS10102 [0,2,0,0,0,0|1,0,1]=4 1598 B7R0.2 CCC(C)CC(C)O TS32253 [0,2,0,0,0,0|0,0,2]=4 1599 B7R0.2 CCC(C)NC(=O)N TS04603 [0,2,0,0,0,0|0,0,0]=2 1600 B7R0.2 CCC(C)OC(=O)C TS32210 [0,2,0,0,0,0|0,0,0]=2 1601 B7R0.2 CCC(C)OC(=O)Cl TS06133 [0,2,0,0,0,0|0,0,0]=2 1602 B7R0.2 CCC(CC(=C)C)O TS32110 [0,2,0,0,0,0|2,0,0]=4 1603 B7R0.2 CCC(CC(=O)O)N TS04672 [0,2,0,0,0,0|1,0,0]=3 1604 B7R0.2 CCC(CC(=O)O)O TS32318 [0,2,0,0,0,0|1,0,0]=3 1605 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [0,2,0,0,0,0|0,0,0]=2 1606 B7R0.2 CC[C@@H](CC(=O)O)N TS32279 [0,2,0,0,0,0|1,0,0]=3 1607 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [0,2,0,0,0,0|0,0,0]=2 1608 B7R0.2 CC[C@H](CC(=O)O)N TS04666 [0,2,0,0,0,0|1,0,0]=3 1609 B7R0.3 CC(CCCN)CN TS04630 [0,2,0,0,0,0|1,0,1]=4 1610 B7R0.3 CC=CCC(C)C=C TS31844 [0,2,0,0,0,0|1,0,0]=3 1611 B7R0.3 CCC(=CCC=C)C TS04221 [0,2,0,0,0,0|1,0,1]=4 1612 B7R0.3 CCC(C)CC=CC TS31972 [0,2,0,0,0,0|1,0,0]=3 1613 B7R0.3 CCC(C)CN=C=S TS36443 [0,2,0,0,0,0|0,1,1]=4 1614 B7R0.3 CCC(C)SCC=C TS05618 [0,2,0,0,0,0|1,0,0]=3 1615 B7R0.3 CCC(C=CC=O)O TS04431 [0,2,0,0,0,0|1,0,0]=3 1616 B7R0.3 CCC(CCC=C)O TS32091 [0,2,0,0,0,0|2,0,0]=4 1617 B7R0.3 CCC=CC(C)CC TS31968 [0,2,0,0,0,0|1,0,0]=3 1618 B7R0.3 CCCCC(=CC)C TS04336 [0,2,0,0,0,0|1,0,1]=4 1619 B7R0.3 CCCCC(C)CBr TS14345 [0,2,0,0,0,0|1,0,1]=4 1620 B7R0.3 CCCCC(C)CC TS32121 [0,2,0,0,0,0|1,0,1]=4 1621 B7R0.3 CCCCC(C)CO TS32251 [0,2,0,0,0,0|0,0,2]=4 1622 B7R0.3 CCCCC(C=C)O TS04474 [0,2,0,0,0,0|2,0,0]=4 1623 B7R0.3 CCCCN(C)N=O TS04602 [0,2,0,0,0,0|2,0,0]=4 1624 B7R0.3 CCCNC(C)CC TS04555 [0,2,0,0,0,0|1,0,1]=4 1625 B7R0.3 CCOC=C(C)C=O TS04427 [0,2,0,0,0,0|0,0,1]=3 1626 B7R0.3 CC[C@H](C)CCCO TS04624 [0,2,0,0,0,0|0,0,2]=4 1627 B7R0.3 CN(CCC=O)N=O TS32197 [0,2,0,0,0,0|2,0,0]=4 1628 B7R0.3 C[C@H](CO)OCOC TS94527 [0,2,0,0,0,0|0,0,2]=4 1629 B7R0.5 C#CCC(C(=O)O)N TS04373 [0,2,0,0,0,0|1,0,1]=4 1630 B7R0.5 C#CC[C@H](C(=O)O)N TS04370 [0,2,0,0,0,0|1,0,1]=4 1631 B7R0.5 C(C#N)[C@@H](C(=O)O)N TS32049 [0,2,0,0,0,0|1,0,1]=4 1632 B7R0.5 C(C=O)C(C(=O)O)N TS32274 [0,2,0,0,0,0|1,0,1]=4 1633 B7R0.5 C(CBr)C(C(=O)O)Br TS27394 [0,2,0,0,0,0|1,0,0]=3 1634 B7R0.5 C(CBr)[C@@H](C(=O)O)N TS68673 [0,2,0,0,0,0|1,0,0]=3 1635 B7R0.5 C(CN)C(C(=O)O)N TS32337 [0,2,0,0,0,0|1,0,0]=3 1636 B7R0.5 C(CN)C(C(=O)O)N TS51238 [0,2,0,0,0,0|1,0,0]=3 1637 B7R0.5 C(CN)C(C(=O)O)O TS02964 [0,2,0,0,0,0|1,0,0]=3 1638 B7R0.5 C(CN)[C@@H](C(=O)O)N TS01514 [0,2,0,0,0,0|1,0,0]=3 1639 B7R0.5 C(CN)[C@@H](C(=O)O)N TS54154 [0,2,0,0,0,0|1,0,0]=3 1640 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [0,2,0,0,0,0|1,0,0]=3 1641 B7R0.5 C(CN)[C@H](C(=O)O)F TS04856 [0,2,0,0,0,0|1,0,0]=3 1642 B7R0.5 C(CN)[C@H](C(=O)O)N TS04719 [0,2,0,0,0,0|1,0,0]=3 1643 B7R0.5 C(CN)[C@H](C(=O)O)N TS51237 [0,2,0,0,0,0|1,0,0]=3 1644 B7R0.5 C(CO)C(C(=O)O)N TS32380 [0,2,0,0,0,0|1,0,0]=3 1645 B7R0.5 C(CO)[C@@H](C(=O)O)N TS01524 [0,2,0,0,0,0|1,0,0]=3 1646 B7R0.5 C(CO)[C@@H](C(=O)O)N TS59867 [0,2,0,0,0,0|1,0,0]=3 1647 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [0,2,0,0,0,0|1,0,0]=3 1648 B7R0.5 C(CO)[C@H](C(=O)O)N TS01423 [0,2,0,0,0,0|1,0,0]=3 1649 B7R0.5 C(CS)C(C(=O)O)N TS05996 [0,2,0,0,0,0|1,0,0]=3 1650 B7R0.5 C(CS)[C@@H](C(=O)O)N TS05998 [0,2,0,0,0,0|1,0,0]=3 1651 B7R0.5 C(CS)[C@H](C(=O)O)N TS05994 [0,2,0,0,0,0|1,0,0]=3 1652 B7R0.5 C=CCC(C(=O)O)N TS22958 [0,2,0,0,0,0|1,0,1]=4 1653 B7R0.5 C=CC[C@@H](C(=O)O)N TS59542 [0,2,0,0,0,0|1,0,1]=4 1654 B7R0.5 C=CC[C@H](C(=O)O)N TS01416 [0,2,0,0,0,0|1,0,1]=4 1655 B7R0.5 C=CC[C@H](C(=O)O)N TS41064 [0,2,0,0,0,0|1,0,1]=4 1656 B7R0.5 CC(C(=O)O)NC=O TS32276 [0,2,0,0,0,0|1,0,1]=4 1657 B7R0.5 CC(C)C(C)CC=C TS04343 [0,2,0,0,0,0|1,0,0]=3 1658 B7R0.5 CC(C)C(C)N=C=S TS36440 [0,2,0,0,0,0|0,1,1]=4 1659 B7R0.5 CC(C)C(CC=C)O TS32108 [0,2,0,0,0,0|2,0,0]=4 1660 B7R0.5 CC(CC=C)C(=O)O TS04437 [0,2,0,0,0,0|0,0,1]=3 1661 B7R0.5 CC=CC(C(C)C)O TS04483 [0,2,0,0,0,0|2,0,0]=4 1662 B7R0.5 CCC=C(C)C(=O)O TS04448 [0,2,0,0,0,0|0,0,1]=3 1663 B7R0.5 CCC=C(C)C(C)C TS31953 [0,2,0,0,0,0|1,0,1]=4 1664 B7R0.5 CCC=C(C)C(C)O TS04482 [0,2,0,0,0,0|1,0,1]=4 1665 B7R0.5 CCCC(=C(C)C)C TS04362 [0,2,0,0,0,0|1,0,1]=4 1666 B7R0.5 CCCC(=O)C(=O)C TS32062 [0,2,0,0,0,0|1,0,1]=4 1667 B7R0.5 CCCC(=O)C(=O)O TS32183 [0,2,0,0,0,0|1,0,1]=4 1668 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [0,2,0,0,0,0|1,0,1]=4 1669 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [0,2,0,0,0,0|1,0,0]=3 1670 B7R0.5 CCCC(C(=O)O)Br TS14719 [0,2,0,0,0,0|1,0,0]=3 1671 B7R0.5 CCCC(C(=O)O)N TS04663 [0,2,0,0,0,0|1,0,0]=3 1672 B7R0.5 CCCC(C(=O)[O-])O TS06422 [0,2,0,0,0,0|1,0,0]=3 1673 B7R0.5 CCCC(C)C(=C)C TS31970 [0,2,0,0,0,0|1,0,0]=3 1674 B7R0.5 CCCC(C)C(=O)C TS04464 [0,2,0,0,0,0|0,0,0]=2 1675 B7R0.5 CCCC(C)C(=O)Cl TS05952 [0,2,0,0,0,0|0,0,0]=2 1676 B7R0.5 CCCC(C)C(C)C TS04507 [0,2,0,0,0,0|1,0,1]=4 1677 B7R0.5 CCCC(C)C(C)O TS32245 [0,2,0,0,0,0|0,0,2]=4 1678 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [0,2,0,0,0,0|1,0,0]=3 1679 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [0,2,0,0,0,0|1,0,0]=3 1680 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [0,2,0,0,0,0|1,0,0]=3 1681 B7R0.5 CCNC(C)C(C)C TS04548 [0,2,0,0,0,0|1,0,1]=4 1682 B7R0.5 CCOC(=O)C(=O)C TS01478 [0,2,0,0,0,0|1,0,1]=4 1683 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [0,2,0,0,0,0|1,0,1]=4 1684 B7R0.5 CCOC(=O)C(=O)N TS32272 [0,2,0,0,0,0|1,0,1]=4 1685 B7R0.5 CCOC(=S)C(=O)N TS01481 [0,2,0,0,0,0|1,0,1]=4 1686 B7R0.5 CNC[C@@H](C(=O)O)N TS32335 [0,2,0,0,0,0|1,0,0]=3 1687 B7R0.5 CNC[C@H](C(=O)O)N TS32332 [0,2,0,0,0,0|1,0,0]=3 1688 B7R0.5 COCC(C(=O)O)Cl TS55196 [0,2,0,0,0,0|1,0,0]=3 1689 B7R0.5 COCC(C(=O)O)N TS32379 [0,2,0,0,0,0|1,0,0]=3 1690 B7R0.5 COC[C@@H](C(=O)O)N TS32377 [0,2,0,0,0,0|1,0,0]=3 1691 B7R0.5 COC[C@@H](C(=O)O)N TS41554 [0,2,0,0,0,0|1,0,0]=3 1692 B7R0.5 COC[C@H](C(=O)O)N TS59337 [0,2,0,0,0,0|1,0,0]=3 1693 B7R0.5 CSC[C@@H](C(=O)O)N TS01687 [0,2,0,0,0,0|1,0,0]=3 1694 B7R0.5 C[C@@H](C(=O)O)NC=O TS32273 [0,2,0,0,0,0|1,0,1]=4 1695 B7R0.5 [2H]CN[C@@H](C)C(=O)O TS31638 [0,2,0,0,0,0|1,0,0]=3 1696 B7R0.7 CC(CC=O)CC=O TS04451 [0,2,0,0,0,0|0,0,1]=3 1697 B7R0.7 CC(CCBr)CCBr TS27082 [0,2,0,0,0,0|1,0,1]=4 1698 B7R0.7 CC(CCI)CCI TS78357 [0,2,0,0,0,0|1,0,1]=4 1699 B7R0.7 CC(CCO)CCO TS04739 [0,2,0,0,0,0|0,0,2]=4 1700 B7R0.7 CC(COC)N=C=S TS05680 [0,2,0,0,0,0|0,1,1]=4 1701 B7R0.7 CC=CC(C)CC=C TS04219 [0,2,0,0,0,0|1,0,1]=4 1702 B7R0.7 CCCC(=CCC)C TS31954 [0,2,0,0,0,0|1,0,1]=4 1703 B7R0.7 CCCC(C)C=NO TS32167 [0,2,0,0,0,0|0,0,1]=3 1704 B7R0.7 CCCC(C)CC=C TS31971 [0,2,0,0,0,0|1,0,0]=3 1705 B7R0.7 CCCC(C)CCC TS04512 [0,2,0,0,0,0|1,0,1]=4 1706 B7R0.7 CCCC(C)CCO TS32249 [0,2,0,0,0,0|0,0,2]=4 1707 B7R0.7 CCCC(C)N=C=S TS36445 [0,2,0,0,0,0|0,1,1]=4 1708 B7R0.7 CCCC(C)OCC TS32250 [0,2,0,0,0,0|1,0,1]=4 1709 B7R0.7 CCCC(C=CC)O TS04465 [0,2,0,0,0,0|2,0,0]=4 1710 B7R0.7 CCCC(CC=C)O TS04466 [0,2,0,0,0,0|2,0,0]=4 1711 B7R0.7 CCC[C@@H](C)CCO TS32231 [0,2,0,0,0,0|0,0,2]=4 1712 B7R0.7 CCOC(C)OCC TS04742 [0,2,0,0,0,0|1,0,1]=4 1713 B7R0.10 C(C(C(=O)NN)N)O TS10625 [0,2,0,0,0,0|2,0,0]=4 1714 B7R0.10 C([C@@H](C(=O)NO)N)Cl TS37249 [0,2,0,0,0,0|2,0,0]=4 1715 B7R0.10 C([C@@H]([C@@H](C=O)O)O)O TS32410 [0,2,0,0,0,0|1,0,0]=3 1716 B7R0.10 C([C@H]([C@@H](C=O)O)O)O TS32408 [0,2,0,0,0,0|1,0,0]=3 1717 B7R0.10 C([C@H]([C@H](C=O)O)O)O TS32407 [0,2,0,0,0,0|1,0,0]=3 1718 B7R0.10 CC(C(=O)OC)OC TS32317 [0,2,0,0,0,0|1,0,0]=3 1719 B7R0.10 CC(C(=O)OC)SC TS05922 [0,2,0,0,0,0|1,0,0]=3 1720 B7R0.10 CC=C(C)C(=O)OC TS32064 [0,2,0,0,0,0|0,0,2]=4 1721 B7R0.10 CC=C(C)C(=O)OC TS32066 [0,2,0,0,0,0|0,0,2]=4 1722 B7R0.10 CCC(=C(C)CC)C TS04354 [0,2,0,0,0,0|1,0,1]=4 1723 B7R0.10 CCC(=C(C)CC)C TS31959 [0,2,0,0,0,0|1,0,1]=4 1724 B7R0.10 CCC(C(=O)CC)O TS32221 [0,2,0,0,0,0|1,0,0]=3 1725 B7R0.10 CCC(C(=O)OC)Br TS65236 [0,2,0,0,0,0|1,0,0]=3 1726 B7R0.10 CCC(C(=O)OC)Cl TS06135 [0,2,0,0,0,0|1,0,0]=3 1727 B7R0.10 CCC(C(=O)OC)N TS41307 [0,2,0,0,0,0|1,0,0]=3 1728 B7R0.10 CCC(C(C)C=O)S TS05778 [0,2,0,0,0,0|0,0,0]=2 1729 B7R0.10 CCC(C(C)CO)S TS36877 [0,2,0,0,0,0|0,0,2]=4 1730 B7R0.10 CCC(C)C(=C)CC TS04351 [0,2,0,0,0,0|1,0,0]=3 1731 B7R0.10 CCC(C)C(=CC)C TS04350 [0,2,0,0,0,0|1,0,0]=3 1732 B7R0.10 CCC(C)C(=O)CC TS04477 [0,2,0,0,0,0|0,0,0]=2 1733 B7R0.10 CCC(C)C(=O)OC TS04590 [0,2,0,0,0,0|0,0,0]=2 1734 B7R0.10 CCC(C)C(=O)SC TS05776 [0,2,0,0,0,0|0,0,0]=2 1735 B7R0.10 CCC(C)C(C)C=C TS04364 [0,2,0,0,0,0|1,0,0]=3 1736 B7R0.10 CCC(C)C(C)C=O TS04460 [0,2,0,0,0,0|0,0,0]=2 1737 B7R0.10 CCC(C)C(C)CC TS04508 [0,2,0,0,0,0|1,0,1]=4 1738 B7R0.10 CCC(C)C(C)CO TS32242 [0,2,0,0,0,0|0,0,2]=4 1739 B7R0.10 CCC(C)C(CC)O TS04626 [0,2,0,0,0,0|0,0,2]=4 1740 B7R0.10 CC[C@@H](C)[C@H](CO)N TS22803 [0,2,0,0,0,0|0,0,2]=4 1741 B7R0.10 CN(C(=O)CCl)OC TS55286 [0,2,0,0,0,0|2,0,0]=4 1742 B7R0.10 COC(=O)C(CBr)Br TS27392 [0,2,0,0,0,0|2,0,0]=4 1743 B7R0.10 COC(=O)C(CCl)Cl TS10813 [0,2,0,0,0,0|2,0,0]=4 1744 B7R0.10 COC(=O)C(CCl)N TS08717 [0,2,0,0,0,0|2,0,0]=4 1745 B7R0.10 COC(=O)C(CO)Cl TS37246 [0,2,0,0,0,0|2,0,0]=4 1746 B7R0.10 COC(=O)C(CO)N TS47365 [0,2,0,0,0,0|2,0,0]=4 1747 B7R0.10 COC(=O)[C@@H](CCl)N TS45716 [0,2,0,0,0,0|2,0,0]=4 1748 B7R0.10 COC(=O)[C@@H](CO)N TS55886 [0,2,0,0,0,0|2,0,0]=4 1749 B7R0.10 COC(=O)[C@H](CCl)N TS06211 [0,2,0,0,0,0|2,0,0]=4 1750 B7R0.10 COC(=O)[C@H](CO)N TS46686 [0,2,0,0,0,0|2,0,0]=4 1751 B7R0.10 COC(=O)[C@H](CS)N TS64915 [0,2,0,0,0,0|2,0,0]=4 1752 B7R0.10 COC(C(=O)OC)O TS01782 [0,2,0,0,0,0|2,0,0]=4 1753 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [0,2,0,0,0,0|1,0,0]=3 1754 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [0,2,0,0,0,0|1,0,0]=3 1755 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [0,2,0,0,0,0|1,0,0]=3 1756 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [0,2,0,0,0,0|1,0,0]=3 1757 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [0,2,0,0,0,0|1,0,0]=3 1758 B7R0.11 CC(C)(C=O)SSC TS40932 [0,2,0,0,0,0|1,0,0]=3 1759 B7R0.11 CC(C)(CC=C)C=O TS31951 [0,2,0,0,0,0|0,0,1]=3 1760 B7R0.11 CC(C)(CCO)OC TS04745 [0,2,0,0,0,0|2,0,0]=4 1761 B7R0.11 CCC(C)(C)CC=C TS02214 [0,2,0,0,0,0|1,0,0]=3 1762 B7R0.11 CCC(C)(C)CCBr TS14343 [0,2,0,0,0,0|1,0,1]=4 1763 B7R0.11 CCC(C)(C)CCCl TS36891 [0,2,0,0,0,0|1,0,1]=4 1764 B7R0.11 CCC(C)(C)CCO TS32247 [0,2,0,0,0,0|0,0,2]=4 1765 B7R0.11 CCC(C)(C)N=C=S TS05486 [0,2,0,0,0,0|0,1,1]=4 1766 B7R0.11 CCC(C)(C)OCC TS32244 [0,2,0,0,0,0|1,0,1]=4 1767 B7R0.11 CCC(C)(CC=C)O TS04476 [0,2,0,0,0,0|1,0,0]=3 1768 B7R0.11 CCCC(C)(C#C)O TS04309 [0,2,0,0,0,0|1,0,1]=4 1769 B7R0.11 CCCC(C)(C)C=C TS04346 [0,2,0,0,0,0|1,0,0]=3 1770 B7R0.11 CCCC(C)(C)CC TS32122 [0,2,0,0,0,0|1,0,1]=4 1771 B7R0.11 CCCC(C)(CC)Cl TS36886 [0,2,0,0,0,0|1,0,1]=4 1772 B7R0.11 CCCC(C)(CC)O TS04623 [0,2,0,0,0,0|1,0,1]=4 1773 B7R0.11 CCCC(C=O)(Cl)Cl TS10544 [0,2,0,0,0,0|1,0,0]=3 1774 B7R0.11 CCO[C@@](C)(CO)O TS94520 [0,2,0,0,0,0|0,0,2]=4 1775 B7R0.12 CCC(CC)CCO TS32252 [0,2,0,0,0,0|0,0,2]=4 1776 B7R0.12 CCC(CC)N=C=S TS36441 [0,2,0,0,0,0|0,1,1]=4 1777 B7R0.12 CCC(CC)OC=O TS32223 [0,2,0,0,0,0|0,0,0]=2 1778 B7R0.12 CCC=C(CC)CC TS04344 [0,2,0,0,0,0|1,0,1]=4 1779 B7R0.12 CCCC(CC)CC TS04503 [0,2,0,0,0,0|1,0,1]=4 1780 B7R0.12 CCCC(CC)CO TS32241 [0,2,0,0,0,0|0,0,2]=4 1781 B7R0.12 CCCC(CO)CO TS32343 [0,2,0,0,0,0|0,0,2]=4 1782 B7R0.12 CCN(CC)CC=C TS32028 [0,2,0,0,0,0|2,0,0]=4 1783 B7R0.12 CCN(CCO)N=O TS32331 [0,2,0,0,0,0|2,0,0]=4 1784 B7R0.12 COC(CCBr)OC TS09492 [0,2,0,0,0,0|2,0,0]=4 1785 B7R0.12 COC(CSC)OC TS06112 [0,2,0,0,0,0|2,0,0]=4 1786 B7R0.12 COCC(OC)OC TS16403 [0,2,0,0,0,0|2,0,0]=4 1787 B7R0.13 C(=O)C(C(F)F)(F)F TS40584 [0,2,0,0,0,0|2,0,0]=4 1788 B7R0.13 C(C(C(=O)N)(Cl)Cl)Cl TS13927 [0,2,0,0,0,0|2,0,0]=4 1789 B7R0.13 CC(=C)C(C)(C)C=C TS31854 [0,2,0,0,0,0|1,0,1]=4 1790 B7R0.13 CC(C(C=O)(Cl)Cl)Cl TS13748 [0,2,0,0,0,0|1,0,0]=3 1791 B7R0.13 CC(C)(C#C)C(=O)O TS31916 [0,2,0,0,0,0|0,0,2]=4 1792 B7R0.13 CC(C)(C(=O)O)NC TS32286 [0,2,0,0,0,0|1,0,0]=3 1793 B7R0.13 CC(C)(C(=O)O)O[NH3+] TS09112 [0,2,0,0,0,0|2,0,0]=4 1794 B7R0.13 CC(C)(CCl)C(=O)Cl TS10543 [0,2,0,0,0,0|1,0,0]=3 1795 B7R0.13 CC(C)(CCl)C(=O)O TS37072 [0,2,0,0,0,0|1,0,0]=3 1796 B7R0.13 CC(C)(CN)C(=O)N TS65836 [0,2,0,0,0,0|1,0,0]=3 1797 B7R0.13 CC(C)(CO)C(=O)O TS47115 [0,2,0,0,0,0|1,0,0]=3 1798 B7R0.13 CC(C)(CO)[N+](=O)[O-] TS32385 [0,2,0,0,0,0|2,0,0]=4 1799 B7R0.13 CC(C)C(C)(C#C)O TS04318 [0,2,0,0,0,0|1,0,1]=4 1800 B7R0.13 CC(C)C(C)(C#N)N TS04324 [0,2,0,0,0,0|1,0,1]=4 1801 B7R0.13 CC(CBr)(C(=O)O)Br TS85189 [0,2,0,0,0,0|1,0,0]=3 1802 B7R0.13 CC(CCl)(C(=O)O)Cl TS10812 [0,2,0,0,0,0|1,0,0]=3 1803 B7R0.13 CC(CCl)(C(=O)[O-])Cl TS14328 [0,2,0,0,0,0|1,0,0]=3 1804 B7R0.13 CC(CO)(C(=O)O)N TS32390 [0,2,0,0,0,0|1,0,0]=3 1805 B7R0.13 CC(CO)(N(=O)=O)Br TS48510 [0,2,0,0,0,0|2,0,0]=4 1806 B7R0.13 CCC(C)(C(=O)O)Br TS14722 [0,2,0,0,0,0|0,0,0]=2 1807 B7R0.13 CCC(C)(C(=O)O)N TS04668 [0,2,0,0,0,0|0,0,0]=2 1808 B7R0.13 CCC(C)(C(=O)O)N TS41309 [0,2,0,0,0,0|0,0,0]=2 1809 B7R0.13 CCC(C)(C(=O)O)O TS04711 [0,2,0,0,0,0|0,0,0]=2 1810 B7R0.13 CCC(C)(C(C)C)O TS32233 [0,2,0,0,0,0|1,0,1]=4 1811 B7R0.13 CCC(C)(C)C(=O)Cl TS39250 [0,2,0,0,0,0|0,0,0]=2 1812 B7R0.13 CCC(C)(C)C(=O)O TS32225 [0,2,0,0,0,0|0,0,0]=2 1813 B7R0.13 CCC(C)(C)C(C)C TS04505 [0,2,0,0,0,0|1,0,1]=4 1814 B7R0.13 CCC(C)(C)C(C)O TS32243 [0,2,0,0,0,0|0,0,2]=4 1815 B7R0.13 CC[C@](C)(C(=O)O)N TS08724 [0,2,0,0,0,0|0,0,0]=2 1816 B7R0.13 CC[C@](C)(C(=O)O)N TS10365 [0,2,0,0,0,0|0,0,0]=2 1817 B7R0.13 CC[C@](C)(C(=O)O)O TS32316 [0,2,0,0,0,0|0,0,0]=2 1818 B7R0.13 C[C@@](CBr)(C(=O)O)O TS15088 [0,2,0,0,0,0|1,0,0]=3 1819 B7R0.13 C[C@](CBr)(C(=O)O)O TS59847 [0,2,0,0,0,0|1,0,0]=3 1820 B7R0.14 CC(C=C)C(C)(C)O TS04471 [0,2,0,0,0,0|1,0,0]=3 1821 B7R0.14 CC(C=O)C(F)(F)F TS05122 [0,2,0,0,0,0|1,0,0]=3 1822 B7R0.14 CC=C(C)C(C)(C)C TS31978 [0,2,0,0,0,0|1,0,1]=4 1823 B7R0.14 CCC(C)C(C)(C)C TS32123 [0,2,0,0,0,0|1,0,1]=4 1824 B7R0.14 CCC(N)P(=O)(O)O TS06345 [0,2,0,0,0,0|2,0,0]=4 1825 B7R0.14 CC[C@@H](N)P(=O)(O)O TS06344 [0,2,0,0,0,0|2,0,0]=4 1826 B7R0.14 CC[C@H](N)P(=O)(O)O TS06343 [0,2,0,0,0,0|2,0,0]=4 1827 B7R0.15 C(C(CBr)C(=O)O)Br TS27393 [0,2,0,0,0,0|1,0,0]=3 1828 B7R0.15 CC(=O)C(OC)OC TS01675 [0,2,0,0,0,0|1,0,0]=3 1829 B7R0.15 CCC(=C(C)C)CC TS31979 [0,2,0,0,0,0|1,0,1]=4 1830 B7R0.15 CCC(=CC)C(C)C TS31976 [0,2,0,0,0,0|1,0,1]=4 1831 B7R0.15 CCC(C=O)C(C)C TS32780 [0,2,0,0,0,0|0,0,0]=2 1832 B7R0.15 CCC(CC)C(=C)C TS31969 [0,2,0,0,0,0|1,0,0]=3 1833 B7R0.15 CCC(CC)C(=O)C TS04458 [0,2,0,0,0,0|0,0,0]=2 1834 B7R0.15 CCC(CC)C(=O)Cl TS05951 [0,2,0,0,0,0|0,0,0]=2 1835 B7R0.15 CCC(CC)C(=O)O TS04596 [0,2,0,0,0,0|0,0,0]=2 1836 B7R0.15 CCC(CC)C(=O)[O-] TS28700 [0,2,0,0,0,0|0,0,0]=2 1837 B7R0.15 CCC(CC)C(C)C TS04501 [0,2,0,0,0,0|1,0,1]=4 1838 B7R0.15 CCC(CC)C(C)O TS32240 [0,2,0,0,0,0|0,0,2]=4 1839 B7R0.15 CCC(CO)[N+](=O)[O-] TS32388 [0,2,0,0,0,0|1,0,0]=3 1840 B7R0.15 CCN(CC)C(=N)N TS04542 [0,2,0,0,0,0|2,0,0]=4 1841 B7R0.15 CCN(CC)C(=N)N TS63547 [0,2,0,0,0,0|2,0,0]=4 1842 B7R0.15 CCN(CC)C(=O)C TS32172 [0,2,0,0,0,0|1,0,0]=3 1843 B7R0.15 CCN(CC)C(=O)Cl TS06022 [0,2,0,0,0,0|1,0,0]=3 1844 B7R0.15 CCN(CC)C(=O)N TS04608 [0,2,0,0,0,0|1,0,0]=3 1845 B7R0.15 CCN(CC)C(=S)Cl TS10099 [0,2,0,0,0,0|1,1,0]=4 1846 B7R0.15 CCN(CC)C(=S)[S-] TS23554 [0,2,0,0,0,0|1,1,0]=4 1847 B7R0.15 CCN(CC)C(=S)[S-] TS28872 [0,2,0,0,0,0|1,1,0]=4 1848 B7R0.15 CCN(CC)C(=S)[S-] TS43151 [0,2,0,0,0,0|1,1,0]=4 1849 B7R0.15 CCN(CC)C(=S)[S-] TS66152 [0,2,0,0,0,0|1,1,0]=4 1850 B7R0.15 CCN(CC)C(=S)[S-] TS66363 [0,2,0,0,0,0|1,1,0]=4 1851 B7R0.15 CCN(CC)C(=S)[S-] TS66462 [0,2,0,0,0,0|1,1,0]=4 1852 B7R0.15 CCN(CC)C(=S)[S-] TS81378 [0,2,0,0,0,0|1,1,0]=4 1853 B7R0.15 CCN(CC)C(=S)[S-] TS83278 [0,2,0,0,0,0|1,1,0]=4 1854 B7R0.15 CCN(CC)C(=S)[S-] TS84312 [0,2,0,0,0,0|1,1,0]=4 1855 B7R0.15 CCN(CC)C(=S)[S-] TS93332 [0,2,0,0,0,0|1,1,0]=4 1856 B7R0.15 CC[C@H](CO)C(=O)O TS04708 [0,2,0,0,0,0|0,0,0]=2 1857 B7R0.15 CNC(CS)C(=O)O TS45390 [0,2,0,0,0,0|1,0,0]=3 1858 B7R0.15 CN[C@@H](CO)C(=O)O TS32387 [0,2,0,0,0,0|1,0,0]=3 1859 B7R0.15 CN[C@@H](C[SeH])C(=O)O TS48173 [0,2,0,0,0,0|1,0,0]=3 1860 B7R0.16 CC(=O)N(C)C(=O)C TS04528 [0,2,0,0,0,0|1,0,1]=4 1861 B7R0.16 CC(C(=O)C)C(=O)C TS32068 [0,2,0,0,0,0|0,0,1]=3 1862 B7R0.16 CC(C(=O)Cl)C(=O)Cl TS56324 [0,2,0,0,0,0|1,0,1]=4 1863 B7R0.16 CC(C(=O)N)C(=O)N TS04572 [0,2,0,0,0,0|1,0,1]=4 1864 B7R0.16 CC(C(=O)O)C(=O)O TS59975 [0,2,0,0,0,0|1,0,1]=4 1865 B7R0.16 CC(C(C(=O)O)Br)Br TS27396 [0,2,0,0,0,0|1,0,0]=3 1866 B7R0.16 CC(C(C(=O)O)N)F TS04855 [0,2,0,0,0,0|1,0,0]=3 1867 B7R0.16 CC(C(C(=O)O)N)N TS32333 [0,2,0,0,0,0|1,0,0]=3 1868 B7R0.16 CC(C(C(=O)O)N)O TS32381 [0,2,0,0,0,0|1,0,0]=3 1869 B7R0.16 CC(C(C)O)[N+](=O)[O-] TS32383 [0,2,0,0,0,0|1,0,0]=3 1870 B7R0.16 CC(C)C(=C(C)C)C TS31980 [0,2,0,0,0,0|1,0,1]=4 1871 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [0,2,0,0,0,0|1,0,1]=4 1872 B7R0.16 CC(C)C(C(=C)C)O TS32111 [0,2,0,0,0,0|2,0,0]=4 1873 B7R0.16 CC(C)C(C(=O)Br)Br TS27078 [0,2,0,0,0,0|1,0,0]=3 1874 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [0,2,0,0,0,0|1,0,0]=3 1875 B7R0.16 CC(C)C(C(=O)O)O TS04712 [0,2,0,0,0,0|1,0,0]=3 1876 B7R0.16 CC(C)C(C)C(=O)O TS32220 [0,2,0,0,0,0|0,0,0]=2 1877 B7R0.16 CC(C)C(C)C(C)C TS32119 [0,2,0,0,0,0|1,0,1]=4 1878 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [0,2,0,0,0,0|1,0,0]=3 1879 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [0,2,0,0,0,0|1,0,0]=3 1880 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [0,2,0,0,0,0|1,0,0]=3 1881 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [0,2,0,0,0,0|1,0,0]=3 1882 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [0,2,0,0,0,0|1,0,0]=3 1883 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [0,2,0,0,0,0|1,0,0]=3 1884 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [0,2,0,0,0,0|1,0,0]=3 1885 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [0,2,0,0,0,0|1,0,0]=3 1886 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [0,2,0,0,0,0|1,0,0]=3 1887 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)N TS51239 [0,2,0,0,0,0|1,0,0]=3 1888 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [0,2,0,0,0,0|1,0,0]=3 1889 B7R0.16 C[C@@H]([C@H](C(=O)O)N)N TS51241 [0,2,0,0,0,0|1,0,0]=3 1890 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [0,2,0,0,0,0|1,0,0]=3 1891 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O TS41461 [0,2,0,0,0,0|1,0,0]=3 1892 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N TS51240 [0,2,0,0,0,0|1,0,0]=3 1893 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [0,2,0,0,0,0|1,0,0]=3 1894 B7R0.18 CCC(C)(CC)C=C TS31956 [0,2,0,0,0,0|1,0,0]=3 1895 B7R0.18 CCC(C)(CC)CC TS04506 [0,2,0,0,0,0|1,0,1]=4 1896 B7R0.18 CCC(C)(CC)CO TS55446 [0,2,0,0,0,0|0,0,2]=4 1897 B7R0.18 CCC(C)(CO)CO TS04736 [0,2,0,0,0,0|0,0,2]=4 1898 B7R0.18 CCC(CC)(C#C)N TS31886 [0,2,0,0,0,0|1,0,1]=4 1899 B7R0.18 CCC(CC)(C#C)O TS31933 [0,2,0,0,0,0|1,0,1]=4 1900 B7R0.18 CCC(CC)(C#N)O TS32008 [0,2,0,0,0,0|1,0,1]=4 1901 B7R0.18 CCC(CC)(CC)O TS04620 [0,2,0,0,0,0|1,0,1]=4 1902 B7R0.18 CCC(CC)(CC)S TS36718 [0,2,0,0,0,0|1,0,1]=4 1903 B7R0.18 CCC(CO)(CO)N TS04788 [0,2,0,0,0,0|0,0,2]=4 1904 B5R1.2 C1C(=O)CN1 TS03373 [1,0,0,1,0,0|1,0,1]=4 1905 B5R1.2 C1C(=O)CN1 TS46446 [1,0,0,1,0,0|1,0,1]=4 1906 B5R1.2 C1C(=O)CO1 TS70694 [1,0,0,1,0,0|1,0,1]=4 1907 B5R1.2 C1C(=O)CS1 TS90454 [1,0,0,1,0,0|1,0,1]=4 1908 B5R1.2 C1C(CN1)N TS88575 [1,0,0,1,0,0|2,0,0]=4 1909 B5R1.2 C1C(CN1)N TS92985 [1,0,0,1,0,0|2,0,0]=4 1910 B5R1.2 C1C(CN1)O TS00225 [1,0,0,1,0,0|1,0,1]=4 1911 B5R1.2 C1C(CN1)O TS65705 [1,0,0,1,0,0|1,0,1]=4 1912 B5R1.2 C1C(CN1)S TS87598 [1,0,0,1,0,0|1,1,0]=4 1913 B5R1.2 C1C(CO1)Br TS65955 [1,0,0,1,0,0|2,0,0]=4 1914 B5R1.2 C1C(CO1)Cl TS91374 [1,0,0,1,0,0|2,0,0]=4 1915 B5R1.2 C1C(CO1)I TS70631 [1,0,0,1,0,0|2,0,0]=4 1916 B5R1.2 C1C(CO1)N TS90822 [1,0,0,1,0,0|2,0,0]=4 1917 B5R1.2 C1C(CO1)O TS02791 [1,0,0,1,0,0|1,0,1]=4 1918 B5R1.2 C1C(CO1)S TS90997 [1,0,0,1,0,0|1,1,0]=4 1919 B5R1.2 C1C(CS1)N TS85859 [1,0,0,1,0,0|2,0,0]=4 1920 B5R1.2 C1CC(=O)C1 TS01399 [1,0,0,1,0,0|0,0,1]=3 1921 B5R1.2 C1CC(C1)Br TS36910 [1,0,0,1,0,0|1,0,0]=3 1922 B5R1.2 C1CC(C1)Cl TS03632 [1,0,0,1,0,0|1,0,0]=3 1923 B5R1.2 C1CC(C1)N TS03375 [1,0,0,1,0,0|1,0,0]=3 1924 B5R1.2 C1CC(C1)N TS04122 [1,0,0,1,0,0|1,0,0]=3 1925 B5R1.2 C1CC(C1)O TS59758 [1,0,0,1,0,0|0,0,1]=3 1926 B5R1.2 C1CNC1=O TS55052 [1,0,0,1,0,0|1,0,1]=4 1927 B5R1.2 C1COC1=O TS71591 [1,0,0,1,0,0|1,0,1]=4 1928 B5R1.2 CC1CCN1 TS71588 [1,0,0,1,0,0|1,0,0]=3 1929 B5R1.3 C#CC1CC1 TS02742 [1,0,0,1,0,0|1,0,1]=4 1930 B5R1.3 C1C(O1)CBr TS06154 [1,0,0,1,0,0|1,0,1]=4 1931 B5R1.3 C1C(O1)CCl TS08941 [1,0,0,1,0,0|1,0,1]=4 1932 B5R1.3 C1C(O1)CCl TS94501 [1,0,0,1,0,0|1,0,1]=4 1933 B5R1.3 C1C(O1)CCl TS94502 [1,0,0,1,0,0|1,0,1]=4 1934 B5R1.3 C1C(O1)CF TS71640 [1,0,0,1,0,0|1,0,1]=4 1935 B5R1.3 C1C(O1)CO TS03389 [1,0,0,1,0,0|1,0,1]=4 1936 B5R1.3 C1CC1C#N TS16796 [1,0,0,1,0,0|1,0,1]=4 1937 B5R1.3 C1CC1C=O TS55830 [1,0,0,1,0,0|0,0,0]=2 1938 B5R1.3 C1CC1CBr TS46573 [1,0,0,1,0,0|1,0,1]=4 1939 B5R1.3 C1CC1CCl TS46576 [1,0,0,1,0,0|1,0,1]=4 1940 B5R1.3 C1CC1CN TS03376 [1,0,0,1,0,0|1,0,1]=4 1941 B5R1.3 C1CC1CN TS04123 [1,0,0,1,0,0|1,0,1]=4 1942 B5R1.3 C1CC1CO TS34565 [1,0,0,1,0,0|0,0,2]=4 1943 B5R1.3 C1CC1ON TS94064 [1,0,0,1,0,0|2,0,0]=4 1944 B5R1.3 C1CC1[Mg]Br TS59761 [1,0,0,1,0,0|2,0,0]=4 1945 B5R1.3 C1[C@@H](O1)CCl TS00305 [1,0,0,1,0,0|1,0,1]=4 1946 B5R1.3 C1[C@@H](O1)CO TS00321 [1,0,0,1,0,0|1,0,1]=4 1947 B5R1.3 C1[C@H](O1)CCl TS46636 [1,0,0,1,0,0|1,0,1]=4 1948 B5R1.3 C1[C@H](O1)CO TS01969 [1,0,0,1,0,0|1,0,1]=4 1949 B5R1.3 C=CC1CC1 TS02996 [1,0,0,1,0,0|1,0,0]=3 1950 B5R1.3 CCC1CC1 TS03362 [1,0,0,1,0,0|0,0,1]=3 1951 B5R1.3 CCC1CO1 TS71603 [1,0,0,1,0,0|0,0,1]=3 1952 B5R1.3 CC[C@@H]1CO1 TS71607 [1,0,0,1,0,0|0,0,1]=3 1953 B5R1.3 CC[C@H]1CO1 TS71606 [1,0,0,1,0,0|0,0,1]=3 1954 B5R1.3 CNC1CC1 TS87062 [1,0,0,1,0,0|1,0,1]=4 1955 B5R1.3 [C-]#[N+]C1CC1 TS02923 [1,0,0,1,0,0|2,0,0]=4 1956 B5R1.4 CC1C(O1)C TS71602 [1,0,0,1,0,0|0,0,1]=3 1957 B5R1.4 C[C@@H]1C[C@@H]1C TS03365 [1,0,0,1,0,0|0,0,1]=3 1958 B5R1.4 C[C@@H]1C[C@H]1C TS03366 [1,0,0,1,0,0|0,0,1]=3 1959 B5R1.4 C[C@@H]1[C@@H](O1)C TS71599 [1,0,0,1,0,0|0,0,1]=3 1960 B5R1.4 C[C@H]1[C@@H](O1)C TS71605 [1,0,0,1,0,0|0,0,1]=3 1961 B5R1.5 CC1(CC1)N TS04124 [1,0,0,1,0,0|1,0,0]=3 1962 B5R1.5 CC1(CN1)C TS71587 [1,0,0,1,0,0|1,0,1]=4 1963 B5R1.5 CC1(CS1)C TS71812 [1,0,0,1,0,0|0,1,1]=4 1964 B5R1.1 C1C=CCN1 TS03158 [1,0,0,1,0,0|2,0,0]=4 1965 B5R1.1 C1C=CCO1 TS47265 [1,0,0,1,0,0|2,0,0]=4 1966 B5R1.1 C1C=CC[SiH2]1 TS71724 [1,0,0,1,0,0|1,1,0]=4 1967 B5R1.1 C1CC=CC1 TS70869 [1,0,0,1,0,0|1,0,0]=3 1968 B5R1.1 C1CCCC1 TS79215 [1,0,0,1,0,0|1,0,1]=4 1969 B5R1.1 C1CCCC1 TS83096 [1,0,0,1,0,0|1,0,1]=4 1970 B5R1.1 C1CCNC1 TS59825 [1,0,0,1,0,0|1,0,1]=4 1971 B5R1.1 C1CCOC1 TS24765 [1,0,0,1,0,0|0,0,2]=4 1972 B5R1.1 C1CCOC1 TS39373 [1,0,0,1,0,0|0,0,2]=4 1973 B5R1.1 C1CCOC1 TS44432 [1,0,0,1,0,0|0,0,2]=4 1974 B5R1.1 C1CCOC1 TS48211 [1,0,0,1,0,0|0,0,2]=4 1975 B5R1.1 C1CCOC1 TS60631 [1,0,0,1,0,0|0,0,2]=4 1976 B5R1.1 C1CCOC1 TS63866 [1,0,0,1,0,0|0,0,2]=4 1977 B5R1.1 C1CCOC1 TS71600 [1,0,0,1,0,0|0,0,2]=4 1978 B5R1.1 C1CCOC1 TS80255 [1,0,0,1,0,0|0,0,2]=4 1979 B5R1.1 C1CCSC1 TS71810 [1,0,0,1,0,0|0,1,1]=4 1980 B5R1.1 C1CNN=C1 TS03359 [1,0,0,1,0,0|2,0,0]=4 1981 B5R1.1 C1COC=C1 TS07898 [1,0,0,1,0,0|0,0,2]=4 1982 B5R1.1 C1COC=N1 TS03370 [1,0,0,1,0,0|1,0,1]=4 1983 B7R1.1 C#CC1CCCC1 TS03680 [0,1,0,1,0,0|1,0,1]=4 1984 B7R1.1 C#CC1CCCC1 TS43724 [0,1,0,1,0,0|1,0,1]=4 1985 B7R1.1 C#CC1CCOC1 TS90205 [0,1,0,1,0,0|1,0,1]=4 1986 B7R1.1 C1C=C(CS1)C=O TS04454 [0,1,0,1,0,0|0,0,2]=4 1987 B7R1.1 C1C=CCC1CI TS43382 [0,1,0,1,0,0|2,0,0]=4 1988 B7R1.1 C1C=CCC1CO TS03780 [0,1,0,1,0,0|2,0,0]=4 1989 B7R1.1 C1CC(NC1)C#N TS31381 [0,1,0,1,0,0|1,0,1]=4 1990 B7R1.1 C1CC(NC1)CN TS08246 [0,1,0,1,0,0|1,0,1]=4 1991 B7R1.1 C1CC(OC1)C=O TS16819 [0,1,0,1,0,0|0,0,0]=2 1992 B7R1.1 C1CC(OC1)CBr TS42845 [0,1,0,1,0,0|1,0,1]=4 1993 B7R1.1 C1CC(OC1)CCl TS32449 [0,1,0,1,0,0|1,0,1]=4 1994 B7R1.1 C1CC(OC1)CN TS39685 [0,1,0,1,0,0|1,0,1]=4 1995 B7R1.1 C1CC(OC1)CO TS59435 [0,1,0,1,0,0|0,0,2]=4 1996 B7R1.1 C1CC=C(C1)CBr TS90531 [0,1,0,1,0,0|1,0,1]=4 1997 B7R1.1 C1CCC(C1)C#N TS03699 [0,1,0,1,0,0|1,0,1]=4 1998 B7R1.1 C1CCC(C1)C=O TS55823 [0,1,0,1,0,0|0,0,0]=2 1999 B7R1.1 C1CCC(C1)CBr TS16535 [0,1,0,1,0,0|1,0,1]=4 2000 B7R1.1 C1CCC(C1)CO TS31527 [0,1,0,1,0,0|0,0,2]=4 2001 B7R1.1 C1CCC(C1)CO TS44787 [0,1,0,1,0,0|0,0,2]=4 2002 B7R1.1 C1CCC(C1)NN TS55828 [0,1,0,1,0,0|2,0,0]=4 2003 B7R1.1 C1CCC(C1)[Mg]Br TS45683 [0,1,0,1,0,0|2,0,0]=4 2004 B7R1.1 C1CCN(C1)C=O TS03825 [0,1,0,1,0,0|1,0,0]=3 2005 B7R1.1 C1CCN(C1)N=O TS03853 [0,1,0,1,0,0|2,0,0]=4 2006 B7R1.1 C1CNCC1C#N TS22733 [0,1,0,1,0,0|1,0,1]=4 2007 B7R1.1 C1CNCC1C#N TS86150 [0,1,0,1,0,0|1,0,1]=4 2008 B7R1.1 C1CNCC1CO TS01674 [0,1,0,1,0,0|0,0,2]=4 2009 B7R1.1 C1CNCC1CO TS90843 [0,1,0,1,0,0|0,0,2]=4 2010 B7R1.1 C1CNC[C@@H]1C#N TS89338 [0,1,0,1,0,0|1,0,1]=4 2011 B7R1.1 C1CNC[C@@H]1CO TS86165 [0,1,0,1,0,0|0,0,2]=4 2012 B7R1.1 C1CNC[C@@H]1CO TS87755 [0,1,0,1,0,0|0,0,2]=4 2013 B7R1.1 C1CNC[C@H]1C#N TS85734 [0,1,0,1,0,0|1,0,1]=4 2014 B7R1.1 C1CNC[C@H]1CO TS90835 [0,1,0,1,0,0|0,0,2]=4 2015 B7R1.1 C1CNC[C@H]1CO TS91204 [0,1,0,1,0,0|0,0,2]=4 2016 B7R1.1 C1COCC1C#N TS31394 [0,1,0,1,0,0|1,0,1]=4 2017 B7R1.1 C1COCC1C=O TS85084 [0,1,0,1,0,0|0,0,0]=2 2018 B7R1.1 C1COCC1CBr TS42850 [0,1,0,1,0,0|0,0,2]=4 2019 B7R1.1 C1COCC1CCl TS32453 [0,1,0,1,0,0|0,0,2]=4 2020 B7R1.1 C1COCC1CI TS21229 [0,1,0,1,0,0|0,0,2]=4 2021 B7R1.1 C1COCC1CN TS37140 [0,1,0,1,0,0|0,0,2]=4 2022 B7R1.1 C1COCC1CO TS90635 [0,1,0,1,0,0|0,0,2]=4 2023 B7R1.1 C1COCC1NN TS13628 [0,1,0,1,0,0|2,0,0]=4 2024 B7R1.1 C1COC[C@@H]1C#N TS87940 [0,1,0,1,0,0|1,0,1]=4 2025 B7R1.1 C1COC[C@@H]1CN TS86866 [0,1,0,1,0,0|0,0,2]=4 2026 B7R1.1 C1COC[C@@H]1CO TS90533 [0,1,0,1,0,0|0,0,2]=4 2027 B7R1.1 C1COC[C@H]1C#N TS85881 [0,1,0,1,0,0|1,0,1]=4 2028 B7R1.1 C1COC[C@H]1CN TS87555 [0,1,0,1,0,0|0,0,2]=4 2029 B7R1.1 C1COC[C@H]1CO TS91740 [0,1,0,1,0,0|0,0,2]=4 2030 B7R1.1 C1C[C@@H](NC1)C#N TS36734 [0,1,0,1,0,0|1,0,1]=4 2031 B7R1.1 C1C[C@@H](NC1)C#N TS90491 [0,1,0,1,0,0|1,0,1]=4 2032 B7R1.1 C1C[C@@H](NC1)CO TS55885 [0,1,0,1,0,0|0,0,2]=4 2033 B7R1.1 C1C[C@@H](OC1)CN TS08645 [0,1,0,1,0,0|1,0,1]=4 2034 B7R1.1 C1C[C@H](NC1)C#N TS46676 [0,1,0,1,0,0|1,0,1]=4 2035 B7R1.1 C1C[C@H](NC1)C#N TS90329 [0,1,0,1,0,0|1,0,1]=4 2036 B7R1.1 C1C[C@H](NC1)CF TS37317 [0,1,0,1,0,0|1,0,1]=4 2037 B7R1.1 C1C[C@H](NC1)CF TS86985 [0,1,0,1,0,0|1,0,1]=4 2038 B7R1.1 C1C[C@H](NC1)CN TS03869 [0,1,0,1,0,0|1,0,1]=4 2039 B7R1.1 C1C[C@H](NC1)CN TS86369 [0,1,0,1,0,0|1,0,1]=4 2040 B7R1.1 C1C[C@H](NC1)CO TS46675 [0,1,0,1,0,0|0,0,2]=4 2041 B7R1.1 C1C[C@H](NC1)CO TS90617 [0,1,0,1,0,0|0,0,2]=4 2042 B7R1.1 C1C[C@H](OC1)CN TS07684 [0,1,0,1,0,0|1,0,1]=4 2043 B7R1.1 C1C[C@H](OC1)CO TS03948 [0,1,0,1,0,0|0,0,2]=4 2044 B7R1.1 C=CC1CCCC1 TS44110 [0,1,0,1,0,0|1,0,0]=3 2045 B7R1.1 C=CC1OCCO1 TS03848 [0,1,0,1,0,0|2,0,0]=4 2046 B7R1.1 CC=C1CCCC1 TS03729 [0,1,0,1,0,0|1,0,1]=4 2047 B7R1.1 CCC1=CCCC1 TS03731 [0,1,0,1,0,0|1,0,1]=4 2048 B7R1.1 CCC1CCC=C1 TS03720 [0,1,0,1,0,0|1,0,0]=3 2049 B7R1.1 CCC1CCCC1 TS21020 [0,1,0,1,0,0|1,0,1]=4 2050 B7R1.1 CCC1CCCC1 TS21612 [0,1,0,1,0,0|1,0,1]=4 2051 B7R1.1 CCC1CCCC1 TS35071 [0,1,0,1,0,0|1,0,1]=4 2052 B7R1.1 CCC1CCCC1 TS57108 [0,1,0,1,0,0|1,0,1]=4 2053 B7R1.1 CCC1CCCC1 TS57519 [0,1,0,1,0,0|1,0,1]=4 2054 B7R1.1 CCC1CCCC1 TS62096 [0,1,0,1,0,0|1,0,1]=4 2055 B7R1.1 CCC1CCCC1 TS70230 [0,1,0,1,0,0|1,0,1]=4 2056 B7R1.1 CCC1CCCC1 TS70344 [0,1,0,1,0,0|1,0,1]=4 2057 B7R1.1 CCC1CCCC1 TS75798 [0,1,0,1,0,0|1,0,1]=4 2058 B7R1.1 CCC1CCCC1 TS78923 [0,1,0,1,0,0|1,0,1]=4 2059 B7R1.1 CCC1CCCC1 TS80049 [0,1,0,1,0,0|1,0,1]=4 2060 B7R1.1 CCC1OCCO1 TS03937 [0,1,0,1,0,0|2,0,0]=4 2061 B7R1.1 CNC1CCNC1 TS03875 [0,1,0,1,0,0|1,0,1]=4 2062 B7R1.1 CNC1CCOC1 TS87367 [0,1,0,1,0,0|0,0,2]=4 2063 B7R1.1 CN[C@@H]1CCNC1 TS03876 [0,1,0,1,0,0|1,0,1]=4 2064 B7R1.1 CN[C@@H]1CCOC1 TS90607 [0,1,0,1,0,0|0,0,2]=4 2065 B7R1.1 CN[C@H]1CCOC1 TS85956 [0,1,0,1,0,0|0,0,2]=4 2066 B7R1.1 COC1CCCC1 TS03863 [0,1,0,1,0,0|1,0,1]=4 2067 B7R1.1 COC1CCNC1 TS02829 [0,1,0,1,0,0|1,0,1]=4 2068 B7R1.1 COC1CCNC1 TS90836 [0,1,0,1,0,0|1,0,1]=4 2069 B7R1.1 CO[C@@H]1CCNC1 TS88166 [0,1,0,1,0,0|1,0,1]=4 2070 B7R1.1 CO[C@@H]1CCNC1 TS89625 [0,1,0,1,0,0|1,0,1]=4 2071 B7R1.1 CO[C@H]1CCNC1 TS85697 [0,1,0,1,0,0|1,0,1]=4 2072 B7R1.1 CSC1CCCC1 TS04638 [0,1,0,1,0,0|1,0,1]=4 2073 B7R1.1 [C-]#[N+]C1CCCC1 TS03697 [0,1,0,1,0,0|2,0,0]=4 2074 B7R1.2 C1C(CNC1=O)N TS87465 [0,1,0,1,0,0|2,0,0]=4 2075 B7R1.2 C1C(COC1=O)O TS31581 [0,1,0,1,0,0|2,0,0]=4 2076 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [0,1,0,1,0,0|2,0,0]=4 2077 B7R1.2 C1C(OC(=O)O1)F TS31724 [0,1,0,1,0,0|2,0,0]=4 2078 B7R1.2 C1CC(=O)CC1=O TS46791 [0,1,0,1,0,0|1,0,1]=4 2079 B7R1.2 C1CC(=O)NC1=O TS31467 [0,1,0,1,0,0|1,0,1]=4 2080 B7R1.2 C1CC(=O)OC1=O TS31489 [0,1,0,1,0,0|1,0,1]=4 2081 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [0,1,0,1,0,0|2,0,0]=4 2082 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [0,1,0,1,0,0|2,0,0]=4 2083 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,1,0,1,0,0|2,0,0]=4 2084 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,1,0,1,0,0|2,0,0]=4 2085 B7R1.2 C1[C@H](C=C[C@H]1O)O TS31496 [0,1,0,1,0,0|2,0,0]=4 2086 B7R1.2 C1[C@H](CNC1=O)O TS01973 [0,1,0,1,0,0|2,0,0]=4 2087 B7R1.2 C1[C@H](CNC1=O)S TS04686 [0,1,0,1,0,0|2,0,0]=4 2088 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,1,0,1,0,0|2,0,0]=4 2089 B7R1.2 C=C1CCC(=O)O1 TS03758 [0,1,0,1,0,0|0,0,2]=4 2090 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,1,0,1,0,0|0,0,1]=3 2091 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,1,0,1,0,0|1,0,1]=4 2092 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,1,0,1,0,0|0,0,2]=4 2093 B7R1.2 CC1CCC(N1)C TS94712 [0,1,0,1,0,0|1,0,1]=4 2094 B7R1.2 CC1CCC(O1)C TS47281 [0,1,0,1,0,0|1,0,1]=4 2095 B7R1.2 CC1CNC(=S)N1 TS04617 [0,1,0,1,0,0|1,1,0]=4 2096 B7R1.2 CC1COC(=O)O1 TS08062 [0,1,0,1,0,0|1,0,0]=3 2097 B7R1.2 CC1COC(=O)O1 TS93060 [0,1,0,1,0,0|1,0,0]=3 2098 B7R1.2 CC1COC(O1)C TS03942 [0,1,0,1,0,0|0,0,2]=4 2099 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,1,0,1,0,0|0,0,0]=2 2100 B7R1.2 C[C@@H]1CC[C@@H](C1)C TS03800 [0,1,0,1,0,0|1,0,1]=4 2101 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [0,1,0,1,0,0|1,0,0]=3 2102 B7R1.2 C[C@H]1CC[C@@H](C1)C TS31449 [0,1,0,1,0,0|1,0,1]=4 2103 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [0,1,0,1,0,0|1,0,0]=3 2104 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [0,1,0,1,0,0|1,0,0]=3 2105 B7R1.3 C1CC(CC=C1)Br TS11358 [0,1,0,1,0,0|2,0,0]=4 2106 B7R1.3 C1CC(CC=C1)Cl TS04655 [0,1,0,1,0,0|2,0,0]=4 2107 B7R1.3 C1CC(CC=C1)O TS31422 [0,1,0,1,0,0|2,0,0]=4 2108 B7R1.3 C1CC=CC(C1)Br TS11359 [0,1,0,1,0,0|2,0,0]=4 2109 B7R1.3 C1CC=CC(C1)Cl TS04653 [0,1,0,1,0,0|2,0,0]=4 2110 B7R1.3 C1CC=CC(C1)O TS59964 [0,1,0,1,0,0|2,0,0]=4 2111 B7R1.3 CC1CC=CC=C1 TS03676 [0,1,0,1,0,0|1,0,1]=4 2112 B7R1.3 CC1CCCCC1 TS02317 [0,1,0,1,0,0|1,0,1]=4 2113 B7R1.3 CC1CCCCO1 TS31512 [0,1,0,1,0,0|1,0,1]=4 2114 B7R1.3 CC1CCCNC1 TS70672 [0,1,0,1,0,0|1,0,1]=4 2115 B7R1.3 CC1CCNCC1 TS03831 [0,1,0,1,0,0|1,0,1]=4 2116 B7R1.3 CC1CCOCO1 TS03947 [0,1,0,1,0,0|0,0,2]=4 2117 B7R1.3 CC1CNCCO1 TS02170 [0,1,0,1,0,0|1,0,1]=4 2118 B7R1.3 CC1SCCCS1 TS16705 [0,1,0,1,0,0|2,0,0]=4 2119 B7R1.3 C[C@@H]1CCCCN1 TS03835 [0,1,0,1,0,0|1,0,1]=4 2120 B7R1.3 C[C@@H]1CNCCN1 TS08073 [0,1,0,1,0,0|1,0,1]=4 2121 B7R1.3 C[C@@H]1CNCCO1 TS03899 [0,1,0,1,0,0|1,0,1]=4 2122 B7R1.3 C[C@@H]1CNCCO1 TS08072 [0,1,0,1,0,0|1,0,1]=4 2123 B7R1.3 C[C@@H]1COCCN1 TS01972 [0,1,0,1,0,0|0,0,2]=4 2124 B7R1.3 C[C@H]1CNCCN1 TS06145 [0,1,0,1,0,0|1,0,1]=4 2125 B7R1.3 C[C@H]1CNCCN1 TS22969 [0,1,0,1,0,0|1,0,1]=4 2126 B7R1.3 C[C@H]1CNCCN1 TS45580 [0,1,0,1,0,0|1,0,1]=4 2127 B7R1.3 C[C@H]1CNCCO1 TS89643 [0,1,0,1,0,0|1,0,1]=4 2128 B7R1.3 C[C@H]1COCCN1 TS46666 [0,1,0,1,0,0|0,0,2]=4 2129 B7R1.4 C1C(C(=O)NO1)N TS03929 [0,1,0,1,0,0|2,0,0]=4 2130 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [0,1,0,1,0,0|1,0,1]=4 2131 B7R1.4 C1CC(C(=O)C1)Br TS55161 [0,1,0,1,0,0|1,0,0]=3 2132 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [0,1,0,1,0,0|1,0,0]=3 2133 B7R1.4 C1CNC(=O)C1N TS94857 [0,1,0,1,0,0|1,0,0]=3 2134 B7R1.4 C1CNC(=O)C1O TS02803 [0,1,0,1,0,0|1,0,0]=3 2135 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [0,1,0,1,0,0|1,0,0]=3 2136 B7R1.4 C1COC(=O)C1Br TS65029 [0,1,0,1,0,0|1,0,0]=3 2137 B7R1.4 C1COC(=O)C1O TS70622 [0,1,0,1,0,0|1,0,0]=3 2138 B7R1.4 C1COC(=O)N1N TS03931 [0,1,0,1,0,0|2,0,0]=4 2139 B7R1.4 C1COC(=O)N1N TS18967 [0,1,0,1,0,0|2,0,0]=4 2140 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [0,1,0,1,0,0|1,0,0]=3 2141 B7R1.4 C1COC(=O)[C@H]1N TS37131 [0,1,0,1,0,0|1,0,0]=3 2142 B7R1.4 C1CSC(=O)C1N TS41321 [0,1,0,1,0,0|1,0,0]=3 2143 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [0,1,0,1,0,0|1,0,0]=3 2144 B7R1.4 C1[C@@H](C(=O)NO1)N TS31587 [0,1,0,1,0,0|2,0,0]=4 2145 B7R1.4 C1[C@H](C(=O)NO1)N TS01419 [0,1,0,1,0,0|2,0,0]=4 2146 B7R1.4 C=C1CCOC1=O TS46473 [0,1,0,1,0,0|0,0,2]=4 2147 B7R1.4 CC1=C(CCC1)C TS03727 [0,1,0,1,0,0|1,0,1]=4 2148 B7R1.4 CC1=C(CCO1)S TS04610 [0,1,0,1,0,0|0,1,1]=4 2149 B7R1.4 CC1=C(CCO1)S TS11013 [0,1,0,1,0,0|0,1,1]=4 2150 B7R1.4 CC1=CCCC1=O TS31367 [0,1,0,1,0,0|0,0,1]=3 2151 B7R1.4 CC1=CCOC1=O TS03756 [0,1,0,1,0,0|0,0,2]=4 2152 B7R1.4 CC1=[N+](CCS1)C TS26975 [0,1,0,1,0,0|1,1,0]=4 2153 B7R1.4 CC1C(=O)CCO1 TS31501 [0,1,0,1,0,0|0,0,0]=2 2154 B7R1.4 CC1C(=O)CCS1 TS04612 [0,1,0,1,0,0|0,0,0]=2 2155 B7R1.4 CC1C(CCO1)S TS32361 [0,1,0,1,0,0|0,1,1]=4 2156 B7R1.4 CC1CCC=C1C TS31386 [0,1,0,1,0,0|1,0,0]=3 2157 B7R1.4 CC1CCNC1=O TS70662 [0,1,0,1,0,0|0,0,0]=2 2158 B7R1.4 CC1CCOC1=O TS59696 [0,1,0,1,0,0|0,0,0]=2 2159 B7R1.4 CN1CCCC1=O TS46986 [0,1,0,1,0,0|1,0,0]=3 2160 B7R1.4 CN1CCNC1=S TS04614 [0,1,0,1,0,0|1,1,0]=4 2161 B7R1.4 CN1CCSC1=S TS36785 [0,1,0,1,0,0|1,1,0]=4 2162 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [0,1,0,1,0,0|1,0,1]=4 2163 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [0,1,0,1,0,0|1,0,1]=4 2164 B7R1.6 C1C(CO1)CC=O TS86511 [0,1,0,1,0,0|1,0,0]=3 2165 B7R1.6 C1C(CO1)CCO TS86834 [0,1,0,1,0,0|0,0,2]=4 2166 B7R1.6 C1CC(C1)CCN TS88922 [0,1,0,1,0,0|1,0,1]=4 2167 B7R1.6 CCNC1COC1 TS86473 [0,1,0,1,0,0|0,0,2]=4 2168 B7R1.6 CCOC1CNC1 TS37143 [0,1,0,1,0,0|1,0,1]=4 2169 B7R1.6 CNCC1COC1 TS92157 [0,1,0,1,0,0|0,0,2]=4 2170 B7R1.6 COCC1CCN1 TS92247 [0,1,0,1,0,0|2,0,0]=4 2171 B7R1.6 COCC1CNC1 TS37139 [0,1,0,1,0,0|1,0,1]=4 2172 B7R1.6 COC[C@@H]1CCN1 TS92216 [0,1,0,1,0,0|2,0,0]=4 2173 B7R1.6 COC[C@H]1CCN1 TS90071 [0,1,0,1,0,0|2,0,0]=4 2174 B7R1.8 C1CC(=O)C1CO TS92430 [0,1,0,1,0,0|0,0,0]=2 2175 B7R1.8 CN1CCC1CN TS92300 [0,1,0,1,0,0|1,0,1]=4 2176 B7R1.8 CN1CC[C@@H]1CN TS91985 [0,1,0,1,0,0|1,0,1]=4 2177 B7R1.8 CN1CC[C@H]1CN TS92777 [0,1,0,1,0,0|1,0,1]=4 2178 B7R1.10 C1C(CC1=O)C#N TS86059 [0,1,0,1,0,0|1,0,1]=4 2179 B7R1.10 C1C(CC1=O)CBr TS89769 [0,1,0,1,0,0|1,0,0]=3 2180 B7R1.10 C1C(CC1=O)CCl TS90066 [0,1,0,1,0,0|1,0,0]=3 2181 B7R1.10 C1C(CC1=O)CN TS88367 [0,1,0,1,0,0|1,0,0]=3 2182 B7R1.10 C1C(CC1=O)CO TS87456 [0,1,0,1,0,0|1,0,0]=3 2183 B7R1.10 C1C(CC1Cl)CO TS91726 [0,1,0,1,0,0|0,0,2]=4 2184 B7R1.10 C1C(CC1F)CN TS91869 [0,1,0,1,0,0|1,0,1]=4 2185 B7R1.10 C1C(CC1F)CN TS92167 [0,1,0,1,0,0|1,0,1]=4 2186 B7R1.10 C1C(CC1F)CN TS92721 [0,1,0,1,0,0|1,0,1]=4 2187 B7R1.10 C1C(CC1N)CO TS87423 [0,1,0,1,0,0|0,0,2]=4 2188 B7R1.10 C1C(CC1N)CO TS88341 [0,1,0,1,0,0|0,0,2]=4 2189 B7R1.10 C1C(CC1O)CN TS86399 [0,1,0,1,0,0|1,0,1]=4 2190 B7R1.10 C1[C@@H](C[C@@H]1CN)O TS89746 [0,1,0,1,0,0|1,0,1]=4 2191 B7R1.10 C1[C@@H](C[C@@H]1CN)O TS91914 [0,1,0,1,0,0|1,0,1]=4 2192 B7R1.10 C1[C@@H](C[C@@H]1CO)N TS87875 [0,1,0,1,0,0|0,0,2]=4 2193 B7R1.10 C1[C@@H](C[C@@H]1CO)N TS89745 [0,1,0,1,0,0|0,0,2]=4 2194 B7R1.10 C1[C@@H](C[C@H]1CN)O TS85823 [0,1,0,1,0,0|1,0,1]=4 2195 B7R1.10 C1[C@@H](C[C@H]1CN)O TS92762 [0,1,0,1,0,0|1,0,1]=4 2196 B7R1.10 C1[C@@H](C[C@H]1CO)N TS87600 [0,1,0,1,0,0|0,0,2]=4 2197 B7R1.10 C1[C@@H](C[C@H]1CO)N TS91749 [0,1,0,1,0,0|0,0,2]=4 2198 B7R1.10 CNC1CC(C1)O TS92151 [0,1,0,1,0,0|2,0,0]=4 2199 B7R1.10 CNC1CN(C1)C TS88104 [0,1,0,1,0,0|2,0,0]=4 2200 B7R1.10 CN[C@H]1C[C@@H](C1)O TS89410 [0,1,0,1,0,0|2,0,0]=4 2201 B7R1.10 CN[C@H]1C[C@H](C1)O TS91820 [0,1,0,1,0,0|2,0,0]=4 2202 B7R1.10 COC1CC(C1)N TS85808 [0,1,0,1,0,0|2,0,0]=4 2203 B7R1.10 CO[C@H]1C[C@@H](C1)N TS86883 [0,1,0,1,0,0|2,0,0]=4 2204 B7R1.10 CO[C@H]1C[C@@H](C1)N TS92050 [0,1,0,1,0,0|2,0,0]=4 2205 B7R1.10 CO[C@H]1C[C@H](C1)N TS87191 [0,1,0,1,0,0|2,0,0]=4 2206 B7R1.10 CO[C@H]1C[C@H](C1)N TS92401 [0,1,0,1,0,0|2,0,0]=4 2207 B7R1.21 CC=CC1(CC1)N TS31406 [0,1,0,1,0,0|2,0,0]=4 2208 B7R1.21 CCCC1(CO1)C TS03866 [0,1,0,1,0,0|0,0,2]=4 2209 B7R1.22 CCC(C)C1CC1 TS03799 [0,1,0,1,0,0|1,0,1]=4 2210 B7R1.25 C1CC(C1)(CO)N TS87105 [0,1,0,1,0,0|0,0,2]=4 2211 B7R1.25 CC1(CCC1)CN TS85798 [0,1,0,1,0,0|1,0,1]=4 2212 B7R1.25 CC1(CNC1)C#N TS85739 [0,1,0,1,0,0|1,0,1]=4 2213 B7R1.25 CC1(CNC1)CN TS89603 [0,1,0,1,0,0|1,0,1]=4 2214 B7R1.25 CC1(CNC1)OC TS89322 [0,1,0,1,0,0|2,0,0]=4 2215 B7R1.25 CC1(COC1)C#C TS89799 [0,1,0,1,0,0|1,0,1]=4 2216 B7R1.25 CC1(COC1)C=O TS91628 [0,1,0,1,0,0|0,0,0]=2 2217 B7R1.25 CC1(COC1)CBr TS42849 [0,1,0,1,0,0|1,0,1]=4 2218 B7R1.25 CC1(COC1)CCl TS89884 [0,1,0,1,0,0|1,0,1]=4 2219 B7R1.25 CC1(COC1)CI TS91677 [0,1,0,1,0,0|1,0,1]=4 2220 B7R1.25 CC1(COC1)CN TS91181 [0,1,0,1,0,0|1,0,1]=4 2221 B7R1.25 CC1(COC1)CO TS70664 [0,1,0,1,0,0|0,0,2]=4 2222 B7R1.25 CC1(COC1)CS TS88281 [0,1,0,1,0,0|0,1,1]=4 2223 B7R1.25 CCC1(CNC1)N TS88165 [0,1,0,1,0,0|1,0,1]=4 2224 B7R1.25 CCC1(CNC1)O TS86360 [0,1,0,1,0,0|1,0,1]=4 2225 B7R1.25 CCC1(COC1)N TS87209 [0,1,0,1,0,0|0,0,2]=4 2226 B7R1.25 CCC1(COC1)N TS92547 [0,1,0,1,0,0|0,0,2]=4 2227 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O TS91377 [0,1,0,1,0,0|1,0,0]=3 2228 B7R1.12 C1[C@@H]([C@H]1F)C(=O)Cl TS04937 [0,1,0,1,0,0|1,0,0]=3 2229 B7R1.18 C1C(CN1)C(=O)N TS86704 [0,1,0,1,0,0|1,0,0]=3 2230 B7R1.18 C1C(CN1)C(=O)N TS88630 [0,1,0,1,0,0|1,0,0]=3 2231 B7R1.18 C1C(CN1)C(=O)O TS06212 [0,1,0,1,0,0|1,0,0]=3 2232 B7R1.18 C1C(CN1)C(=O)O TS55737 [0,1,0,1,0,0|1,0,0]=3 2233 B7R1.18 C1C(CO1)C(=O)O TS87729 [0,1,0,1,0,0|1,0,0]=3 2234 B7R1.18 C1CC(C1)C(=N)N TS88293 [0,1,0,1,0,0|1,0,0]=3 2235 B7R1.18 C1CC(C1)C(=O)Cl TS22945 [0,1,0,1,0,0|0,0,0]=2 2236 B7R1.18 C1CC(C1)C(=O)N TS03818 [0,1,0,1,0,0|0,0,0]=2 2237 B7R1.18 C1CC(C1)C(=O)O TS22946 [0,1,0,1,0,0|0,0,0]=2 2238 B7R1.18 C1CC(C1)C(=O)[O-] TS39115 [0,1,0,1,0,0|0,0,0]=2 2239 B7R1.18 C1CNC1C(=O)N TS03852 [0,1,0,1,0,0|1,0,0]=3 2240 B7R1.18 C1CNC1C(=O)O TS31540 [0,1,0,1,0,0|1,0,0]=3 2241 B7R1.18 C1CNC1C(=O)O TS86021 [0,1,0,1,0,0|1,0,0]=3 2242 B7R1.18 C1CN[C@@H]1C(=O)O TS08096 [0,1,0,1,0,0|1,0,0]=3 2243 B7R1.18 C1CN[C@@H]1C(=O)O TS37132 [0,1,0,1,0,0|1,0,0]=3 2244 B7R1.18 C1CN[C@H]1C(=O)O TS01418 [0,1,0,1,0,0|1,0,0]=3 2245 B7R1.18 C1COC1C(=O)O TS32718 [0,1,0,1,0,0|1,0,0]=3 2246 B7R1.19 C1CC1(C(=O)O)N TS46850 [0,1,0,1,0,0|1,0,0]=3 2247 B7R1.19 C1CC1(C(=O)O)N TS94651 [0,1,0,1,0,0|1,0,0]=3 2248 B7R1.19 C1CC1(C(=O)O)O TS46965 [0,1,0,1,0,0|1,0,0]=3 2249 B7R1.19 CC(=O)C1(CC1)C TS31439 [0,1,0,1,0,0|0,0,0]=2 2250 B7R1.19 CC1(CC1)C(=O)O TS03847 [0,1,0,1,0,0|0,0,0]=2 2251 B7R1.23 CC1(CC1C#N)C TS03696 [0,1,0,1,0,0|1,0,1]=4 2252 B7R1.30 CC1C(C1(Cl)Cl)C TS06339 [0,1,0,1,0,0|1,0,1]=4 2253 B7R1.14 CC1(CCCC1)C TS31456 [0,1,0,1,0,0|1,0,1]=4 2254 B7R1.14 CC1(CCCN1)C TS89244 [0,1,0,1,0,0|2,0,0]=4 2255 B7R1.14 CC1(CCNC1)C TS86689 [0,1,0,1,0,0|1,0,1]=4 2256 B7R1.14 CC1(CCNC1)O TS87844 [0,1,0,1,0,0|1,0,1]=4 2257 B7R1.14 CC1(CCOC1)N TS86382 [0,1,0,1,0,0|0,0,2]=4 2258 B7R1.29 C1CC1(CO)CO TS34597 [0,1,0,1,0,0|0,0,2]=4 2259 B7R1.29 CCC1(CC1)CC TS03796 [0,1,0,1,0,0|1,0,1]=4 2260 B7R2.13 C1C2C1CNC2 TS86763 [0,0,0,2,0,0|1,0,1]=4 2261 B7R2.13 C1CNC2C1C2 TS90381 [0,0,0,2,0,0|1,0,1]=4