0 B9R1.69 C1=CC(=O)C(=CC1=O)Cl B21395 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 CC1=CC(=O)C=CC1=O 36670 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 Cc1c(cc(cn1)Br)N H54665 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.69 Cc1c(ccc(n1)Cl)Br H64333 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 Cc1c(ccc(n1)Cl)F H64347 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 Cc1c(ccc(n1)Cl)I H27656 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 Cc1c(ccc(n1)Cl)N H61465 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 Cc1cc(c(nc1)Br)Br H56438 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.69 Cc1cc(c(nc1)Br)F H61954 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 Cc1cc(c(nc1)Br)I H27362 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 Cc1cc(c(nc1)Br)N H31613 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 Cc1cc(c(nc1)C)C B23537 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.69 Cc1cc(c(nc1)Cl)F H61972 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.69 Cc1cc(c(nc1)F)Br H61104 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.69 Cc1cc(c(nc1)N)Br A14090 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.69 Cc1cc(c(nc1)N)F H64583 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.69 Cc1cc(c(nc1)N)I H27787 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.69 Cc1cc(c(nc1)O)Br L19849 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.69 Cc1cc(c(nc1)O)I H27751 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.69 Cc1cc(ccc1Br)Br A19418 [0,0,0,0,0,0|3,1,0]=4 20 B9R1.69 Cc1cc(ccc1Br)Cl A14132 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.69 Cc1cc(ccc1Br)F A11112 [0,0,0,0,0,0|3,1,0]=4 22 B9R1.69 Cc1cc(ccc1Br)I B22462 [0,0,0,0,0,0|3,1,0]=4 23 B9R1.69 Cc1cc(ccc1Br)N A15417 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 Cc1cc(ccc1Br)O L17510 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 Cc1cc(ccc1Cl)Br A10602 [0,0,0,0,0,0|3,1,0]=4 26 B9R1.69 Cc1cc(ccc1Cl)Cl A13039 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.69 Cc1cc(ccc1Cl)F A19686 [0,0,0,0,0,0|3,1,0]=4 28 B9R1.69 Cc1cc(ccc1Cl)N B22234 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.69 Cc1cc(ccc1Cl)O A17823 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.69 Cc1cc(ccc1Cl)[Mg+] H54052 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.69 Cc1cc(ccc1F)Br A10721 [0,0,0,0,0,0|3,1,0]=4 32 B9R1.69 Cc1cc(ccc1F)Cl L07615 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.69 Cc1cc(ccc1F)F B22544 [0,0,0,0,0,0|3,1,0]=4 34 B9R1.69 Cc1cc(ccc1F)I L08396 [0,0,0,0,0,0|3,1,0]=4 35 B9R1.69 Cc1cc(ccc1F)N A15482 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.69 Cc1cc(ccc1F)O L19897 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.69 Cc1cc(ccc1F)[Mg+] H54585 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.69 Cc1cc(ccc1I)Br B21878 [0,0,0,0,0,0|3,1,0]=4 39 B9R1.69 Cc1cc(ccc1I)Cl B21681 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.69 Cc1cc(ccc1N)Br A15543 [0,0,0,0,0,0|3,1,0]=4 41 B9R1.69 Cc1cc(ccc1N)Br B25511 [0,0,0,0,0,0|3,1,0]=4 42 B9R1.69 Cc1cc(ccc1N)F A11609 [0,0,0,0,0,0|3,1,0]=4 43 B9R1.69 Cc1cc(ccc1N)I L02306 [0,0,0,0,0,0|3,1,0]=4 44 B9R1.69 Cc1cc(ccc1N)N L07388 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.69 Cc1cc(ccc1N)O B23152 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 Cc1cc(ccc1O)Br H32307 [0,0,0,0,0,0|2,1,1]=4 47 B9R1.69 Cc1cc(ccc1O)Cl L04164 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.69 Cc1cc(ccc1O)F A16032 [0,0,0,0,0,0|2,1,1]=4 49 B9R1.69 Cc1cc(ccc1O)O B21241 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.69 Cc1cc(ccc1[Mg+])Cl H54697 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.69 Cc1cc(ccc1[Mg+])F H54865 [0,0,0,0,0,0|3,1,0]=4 52 B9R1.69 Cc1cc(ccc1[Zn+])Br H58562 [0,0,0,0,0,0|3,1,0]=4 53 B9R1.69 Cc1cc(cnc1Br)Br H27142 [0,0,0,0,0,0|2,1,1]=4 54 B9R1.69 Cc1cc(cnc1Br)F H33953 [0,0,0,0,0,0|2,1,1]=4 55 B9R1.69 Cc1cc(cnc1Br)I H27035 [0,0,0,0,0,0|2,1,1]=4 56 B9R1.69 Cc1cc(cnc1Br)N H66134 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.69 Cc1cc(cnc1Br)O H64567 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.69 Cc1cc(cnc1Cl)Br H64109 [0,0,0,0,0,0|2,1,1]=4 59 B9R1.69 Cc1cc(cnc1Cl)F H61447 [0,0,0,0,0,0|2,1,1]=4 60 B9R1.69 Cc1cc(cnc1Cl)O H64986 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.69 Cc1cc(cnc1F)Br H26131 [0,0,0,0,0,0|2,1,1]=4 62 B9R1.69 Cc1cc(cnc1F)N H64854 [0,0,0,0,0,0|3,0,1]=4 63 B9R1.69 Cc1cc(cnc1N)Br A15318 [0,0,0,0,0,0|2,1,1]=4 64 B9R1.69 Cc1cc(cnc1N)I H27510 [0,0,0,0,0,0|2,1,1]=4 65 B9R1.69 Cc1cc(cnc1O)Br H64253 [0,0,0,0,0,0|1,1,2]=4 66 B9R1.69 Cc1cc(ncc1N)Cl H61115 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.69 Cc1cc(nnc1Cl)Cl A19998 [0,0,0,0,0,0|3,0,1]=4 68 B9R1.69 Cc1ccc(c(c1)Br)Br A13351 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.69 Cc1ccc(c(c1)Br)C A14358 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.69 Cc1ccc(c(c1)Br)F B21523 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.69 Cc1ccc(c(c1)Br)N A13818 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.69 Cc1ccc(c(c1)Br)O B21701 [0,0,0,0,0,0|3,0,1]=4 73 B9R1.69 Cc1ccc(c(c1)C)Br A10212 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.69 Cc1ccc(c(c1)C)C 12411 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.69 Cc1ccc(c(c1)C)Cl B21275 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 Cc1ccc(c(c1)C)I A16878 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.69 Cc1ccc(c(c1)C)N L02744 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.69 Cc1ccc(c(c1)C)O A11966 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.69 Cc1ccc(c(c1)C)S B23161 [0,0,0,0,0,0|3,1,0]=4 80 B9R1.69 Cc1ccc(c(c1)C)[Mg+] H54134 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.69 Cc1ccc(c(c1)C)[Zn+] H58149 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.69 Cc1ccc(c(c1)Cl)Cl A10763 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.69 Cc1ccc(c(c1)Cl)F H63822 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.69 Cc1ccc(c(c1)Cl)N B22935 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.69 Cc1ccc(c(c1)F)Br A19142 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.69 Cc1ccc(c(c1)F)Cl H32272 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.69 Cc1ccc(c(c1)F)F 41789 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.69 Cc1ccc(c(c1)F)I H53491 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.69 Cc1ccc(c(c1)F)N A16591 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.69 Cc1ccc(c(c1)F)O H26138 [0,0,0,0,0,0|3,0,1]=4 91 B9R1.69 Cc1ccc(c(c1)I)C L01055 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.69 Cc1ccc(c(c1)N)Br H61639 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.69 Cc1ccc(c(c1)N)C A12682 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.69 Cc1ccc(c(c1)N)Cl H26209 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.69 Cc1ccc(c(c1)N)F L13411 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.69 Cc1ccc(c(c1)N)N B24378 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.69 Cc1ccc(c(c1)N)O A19546 [0,0,0,0,0,0|3,0,1]=4 98 B9R1.69 Cc1ccc(c(c1)O)C A17755 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.69 Cc1ccc(c(c1)O)Cl L00816 [0,0,0,0,0,0|3,0,0]=3 100 B9R1.69 Cc1ccc(c(c1)O)F B20275 [0,0,0,0,0,0|3,0,0]=3 101 B9R1.69 Cc1ccc(c(c1)O)N B23560 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.69 Cc1ccc(c(c1)O)O L04495 [0,0,0,0,0,0|2,0,1]=3 103 B9R1.69 Cc1ccc(c(c1)S)C B24164 [0,0,0,0,0,0|3,1,0]=4 104 B9R1.69 Cc1ccc(c(c1)S)S L15003 [0,0,0,0,0,0|2,2,0]=4 105 B9R1.69 Cc1ccc(c(c1)[Mg+])C H54073 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.69 Cc1ccc(c(c1)[Zn+])C H58646 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.69 Cc1ccc(cc1Br)Br H63869 [0,0,0,0,0,0|3,1,0]=4 108 B9R1.69 Cc1ccc(cc1Br)Cl B25329 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.69 Cc1ccc(cc1Br)F A12792 [0,0,0,0,0,0|3,1,0]=4 110 B9R1.69 Cc1ccc(cc1Br)N B24670 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.69 Cc1ccc(cc1Br)O H28689 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.69 Cc1ccc(cc1C)Br A14736 [0,0,0,0,0,0|3,1,0]=4 113 B9R1.69 Cc1ccc(cc1C)Cl A19032 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.69 Cc1ccc(cc1C)F A18253 [0,0,0,0,0,0|3,1,0]=4 115 B9R1.69 Cc1ccc(cc1C)I A13232 [0,0,0,0,0,0|3,1,0]=4 116 B9R1.69 Cc1ccc(cc1C)N A16928 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.69 Cc1ccc(cc1C)O A10599 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.69 Cc1ccc(cc1C)S B23168 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.69 Cc1ccc(cc1C)[Mg+] H54346 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.69 Cc1ccc(cc1C)[Zn+] H58165 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.69 Cc1ccc(cc1Cl)Br B22293 [0,0,0,0,0,0|3,1,0]=4 122 B9R1.69 Cc1ccc(cc1Cl)Cl B24406 [0,0,0,0,0,0|3,0,0]=3 123 B9R1.69 Cc1ccc(cc1Cl)F B20278 [0,0,0,0,0,0|3,1,0]=4 124 B9R1.69 Cc1ccc(cc1Cl)I B20974 [0,0,0,0,0,0|3,1,0]=4 125 B9R1.69 Cc1ccc(cc1Cl)N A15439 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.69 Cc1ccc(cc1Cl)N H31342 [0,0,0,0,0,0|4,0,0]=4 127 B9R1.69 Cc1ccc(cc1Cl)O H27385 [0,0,0,0,0,0|4,0,0]=4 128 B9R1.69 Cc1ccc(cc1Cl)[Mg+] H54075 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.69 Cc1ccc(cc1F)Br A15891 [0,0,0,0,0,0|3,1,0]=4 130 B9R1.69 Cc1ccc(cc1F)Cl A14753 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.69 Cc1ccc(cc1F)F A11667 [0,0,0,0,0,0|3,1,0]=4 132 B9R1.69 Cc1ccc(cc1F)I A12679 [0,0,0,0,0,0|3,1,0]=4 133 B9R1.69 Cc1ccc(cc1F)N A14484 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.69 Cc1ccc(cc1F)O H31864 [0,0,0,0,0,0|4,0,0]=4 135 B9R1.69 Cc1ccc(cc1F)[Mg+] H54830 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.69 Cc1ccc(cc1F)[Zn+] H58775 [0,0,0,0,0,0|4,0,0]=4 137 B9R1.69 Cc1ccc(cc1I)F L06833 [0,0,0,0,0,0|3,1,0]=4 138 B9R1.69 Cc1ccc(cc1I)N A11485 [0,0,0,0,0,0|4,0,0]=4 139 B9R1.69 Cc1ccc(cc1N)Cl B21392 [0,0,0,0,0,0|3,0,0]=3 140 B9R1.69 Cc1ccc(cc1N)F B25381 [0,0,0,0,0,0|3,1,0]=4 141 B9R1.69 Cc1ccc(cc1N)I L07404 [0,0,0,0,0,0|3,1,0]=4 142 B9R1.69 Cc1ccc(cc1N)N B23495 [0,0,0,0,0,0|4,0,0]=4 143 B9R1.69 Cc1ccc(cc1O)Br H26956 [0,0,0,0,0,0|2,1,0]=3 144 B9R1.69 Cc1ccc(cc1O)Cl B25527 [0,0,0,0,0,0|2,0,0]=2 145 B9R1.69 Cc1ccc(cc1O)F B25606 [0,0,0,0,0,0|2,1,0]=3 146 B9R1.69 Cc1ccc(cc1O)N H66252 [0,0,0,0,0,0|3,0,0]=3 147 B9R1.69 Cc1ccc(cc1[Mg+])Cl H54415 [0,0,0,0,0,0|3,0,0]=3 148 B9R1.69 Cc1ccc(cc1[Mg+])F H54234 [0,0,0,0,0,0|3,1,0]=4 149 B9R1.69 Cc1ccc(cc1[Zn+])F H58892 [0,0,0,0,0,0|3,1,0]=4 150 B9R1.69 Cc1ccc(nc1Cl)Cl H61271 [0,0,0,0,0,0|4,0,0]=4 151 B9R1.69 Cc1cnc(cc1Cl)Cl H61634 [0,0,0,0,0,0|4,0,0]=4 152 B9R1.69 c1c(c(cnc1Cl)Br)N H27674 [0,0,0,0,0,0|4,0,0]=4 153 B9R1.69 c1c(c(cnc1Cl)I)N H33926 [0,0,0,0,0,0|4,0,0]=4 154 B9R1.69 c1c(c(cnc1Cl)N)Cl H66282 [0,0,0,0,0,0|4,0,0]=4 155 B9R1.69 c1c(c[nH]c(=O)c1Cl)Cl L08309 [0,0,0,0,0,0|1,0,0]=1 156 B9R1.69 c1c(cnc(c1Br)Br)Cl H34010 [0,0,0,0,0,0|2,0,1]=3 157 B9R1.69 c1c(cnc(c1Br)Cl)Br H61506 [0,0,0,0,0,0|2,1,1]=4 158 B9R1.69 c1c(cnc(c1Br)Cl)Cl H27130 [0,0,0,0,0,0|2,0,1]=3 159 B9R1.69 c1c(cnc(c1Br)N)Br A12706 [0,0,0,0,0,0|2,1,1]=4 160 B9R1.69 c1c(cnc(c1Br)N)Cl H27799 [0,0,0,0,0,0|2,0,1]=3 161 B9R1.69 c1c(cnc(c1Br)N)F H37257 [0,0,0,0,0,0|2,1,1]=4 162 B9R1.69 c1c(cnc(c1Br)O)Br L19862 [0,0,0,0,0,0|1,1,2]=4 163 B9R1.69 c1c(cnc(c1Cl)Br)Cl H61138 [0,0,0,0,0,0|2,0,1]=3 164 B9R1.69 c1c(cnc(c1Cl)Cl)Cl H64173 [0,0,0,0,0,0|2,0,1]=3 165 B9R1.69 c1c(cnc(c1Cl)Cl)F H64373 [0,0,0,0,0,0|2,1,1]=4 166 B9R1.69 c1c(cnc(c1Cl)F)Br H64547 [0,0,0,0,0,0|2,1,1]=4 167 B9R1.69 c1c(cnc(c1Cl)F)Cl L20039 [0,0,0,0,0,0|2,0,1]=3 168 B9R1.69 c1c(cnc(c1Cl)F)F H32640 [0,0,0,0,0,0|2,1,1]=4 169 B9R1.69 c1c(cnc(c1Cl)F)O H66400 [0,0,0,0,0,0|3,0,1]=4 170 B9R1.69 c1c(cnc(c1Cl)N)Cl B21984 [0,0,0,0,0,0|2,0,1]=3 171 B9R1.69 c1c(cnc(c1Cl)O)Br H64370 [0,0,0,0,0,0|1,1,2]=4 172 B9R1.69 c1c(cnc(c1F)Br)Br H61108 [0,0,0,0,0,0|2,1,1]=4 173 B9R1.69 c1c(cnc(c1F)Br)N H33154 [0,0,0,0,0,0|3,0,1]=4 174 B9R1.69 c1c(cnc(c1F)Cl)Br H61116 [0,0,0,0,0,0|2,1,1]=4 175 B9R1.69 c1c(cnc(c1F)F)Br H64566 [0,0,0,0,0,0|2,1,1]=4 176 B9R1.69 c1c(cnc(c1F)F)Cl L19859 [0,0,0,0,0,0|2,0,1]=3 177 B9R1.69 c1c(cnc(c1F)F)F L19542 [0,0,0,0,0,0|2,1,1]=4 178 B9R1.69 c1c(cnc(c1F)N)Cl H30135 [0,0,0,0,0,0|2,0,1]=3 179 B9R1.69 c1c(cnc(c1F)N)F L19727 [0,0,0,0,0,0|2,1,1]=4 180 B9R1.69 c1c(cnc(c1I)Br)I H27869 [0,0,0,0,0,0|2,1,1]=4 181 B9R1.69 c1c(cnc(c1I)Cl)Cl H27786 [0,0,0,0,0,0|2,0,1]=3 182 B9R1.69 c1c(cnc(c1I)Cl)I H27044 [0,0,0,0,0,0|2,1,1]=4 183 B9R1.69 c1c(cnc(c1I)N)Br H50002 [0,0,0,0,0,0|2,1,1]=4 184 B9R1.69 c1c(cnc(c1I)N)Cl H27053 [0,0,0,0,0,0|2,0,1]=3 185 B9R1.69 c1c(cnc(c1I)N)I H27511 [0,0,0,0,0,0|2,1,1]=4 186 B9R1.69 c1c(cnc(c1I)N)N H31518 [0,0,0,0,0,0|3,0,1]=4 187 B9R1.69 c1c(cnc(c1I)O)Br H33495 [0,0,0,0,0,0|1,1,2]=4 188 B9R1.69 c1c(cnc(c1N)Br)F H33811 [0,0,0,0,0,0|2,1,1]=4 189 B9R1.69 c1c(cnc(c1N)Cl)Br H31614 [0,0,0,0,0,0|2,1,1]=4 190 B9R1.69 c1c(cnc(c1N)Cl)Cl H58570 [0,0,0,0,0,0|2,0,1]=3 191 B9R1.69 c1c(cnc(c1N)N)Br L19435 [0,0,0,0,0,0|2,1,1]=4 192 B9R1.69 c1c(cnc(c1N)N)Cl L19526 [0,0,0,0,0,0|2,0,1]=3 193 B9R1.69 c1c(cnc(c1N)O)Br H61479 [0,0,0,0,0,0|1,1,2]=4 194 B9R1.69 c1c(cnc(c1O)N)Br H61722 [0,0,0,0,0,0|1,1,1]=3 195 B9R1.69 c1c(cnc(c1O)O)Cl L07671 [0,0,0,0,0,0|0,0,2]=2 196 B9R1.69 c1cc(c(cc1Br)Br)Br B23778 [0,0,0,0,0,0|3,1,0]=4 197 B9R1.69 c1cc(c(cc1Br)Br)F B20955 [0,0,0,0,0,0|3,1,0]=4 198 B9R1.69 c1cc(c(cc1Br)Br)F L20171 [0,0,0,0,0,0|3,1,0]=4 199 B9R1.69 c1cc(c(cc1Br)Br)N A13329 [0,0,0,0,0,0|3,1,0]=4 200 B9R1.69 c1cc(c(cc1Br)Br)O B23394 [0,0,0,0,0,0|2,1,1]=4 201 B9R1.69 c1cc(c(cc1Br)Cl)Br B23566 [0,0,0,0,0,0|3,1,0]=4 202 B9R1.69 c1cc(c(cc1Br)Cl)Cl A10314 [0,0,0,0,0,0|3,1,0]=4 203 B9R1.69 c1cc(c(cc1Br)Cl)F A19782 [0,0,0,0,0,0|3,1,0]=4 204 B9R1.69 c1cc(c(cc1Br)Cl)I B22185 [0,0,0,0,0,0|3,1,0]=4 205 B9R1.69 c1cc(c(cc1Br)Cl)N A17859 [0,0,0,0,0,0|3,1,0]=4 206 B9R1.69 c1cc(c(cc1Br)Cl)O B24803 [0,0,0,0,0,0|2,1,1]=4 207 B9R1.69 c1cc(c(cc1Br)F)Br B21281 [0,0,0,0,0,0|3,1,0]=4 208 B9R1.69 c1cc(c(cc1Br)F)Cl A15745 [0,0,0,0,0,0|3,1,0]=4 209 B9R1.69 c1cc(c(cc1Br)F)F A11934 [0,0,0,0,0,0|3,1,0]=4 210 B9R1.69 c1cc(c(cc1Br)F)I A15884 [0,0,0,0,0,0|3,1,0]=4 211 B9R1.69 c1cc(c(cc1Br)F)N A10228 [0,0,0,0,0,0|3,1,0]=4 212 B9R1.69 c1cc(c(cc1Br)F)O A10804 [0,0,0,0,0,0|2,1,1]=4 213 B9R1.69 c1cc(c(cc1Br)F)[Zn+] H58320 [0,0,0,0,0,0|3,1,0]=4 214 B9R1.69 c1cc(c(cc1Br)N)Br A19114 [0,0,0,0,0,0|3,1,0]=4 215 B9R1.69 c1cc(c(cc1Br)N)Cl H64104 [0,0,0,0,0,0|3,1,0]=4 216 B9R1.69 c1cc(c(cc1Br)N)F H61678 [0,0,0,0,0,0|3,1,0]=4 217 B9R1.69 c1cc(c(cc1Br)N)N H26929 [0,0,0,0,0,0|3,1,0]=4 218 B9R1.69 c1cc(c(cc1Br)N)O H55763 [0,0,0,0,0,0|2,1,1]=4 219 B9R1.69 c1cc(c(cc1Br)O)Cl B25452 [0,0,0,0,0,0|2,1,0]=3 220 B9R1.69 c1cc(c(cc1Br)O)F H61518 [0,0,0,0,0,0|2,1,0]=3 221 B9R1.69 c1cc(c(cc1Cl)Br)Cl A12056 [0,0,0,0,0,0|3,0,0]=3 222 B9R1.69 c1cc(c(cc1Cl)Br)F H25935 [0,0,0,0,0,0|3,0,0]=3 223 B9R1.69 c1cc(c(cc1Cl)Br)I B25409 [0,0,0,0,0,0|3,0,0]=3 224 B9R1.69 c1cc(c(cc1Cl)Br)N L03808 [0,0,0,0,0,0|3,0,0]=3 225 B9R1.69 c1cc(c(cc1Cl)Br)O A16218 [0,0,0,0,0,0|2,0,1]=3 226 B9R1.69 c1cc(c(cc1Cl)Cl)Br A12298 [0,0,0,0,0,0|3,0,0]=3 227 B9R1.69 c1cc(c(cc1Cl)Cl)Cl 19390 [0,0,0,0,0,0|3,0,0]=3 228 B9R1.69 c1cc(c(cc1Cl)Cl)Cl A10130 [0,0,0,0,0,0|3,0,0]=3 229 B9R1.69 c1cc(c(cc1Cl)Cl)F A17953 [0,0,0,0,0,0|3,0,0]=3 230 B9R1.69 c1cc(c(cc1Cl)Cl)I B20683 [0,0,0,0,0,0|3,0,0]=3 231 B9R1.69 c1cc(c(cc1Cl)Cl)N A10518 [0,0,0,0,0,0|3,0,0]=3 232 B9R1.69 c1cc(c(cc1Cl)Cl)O A12065 [0,0,0,0,0,0|2,0,1]=3 233 B9R1.69 c1cc(c(cc1Cl)Cl)S A12384 [0,0,0,0,0,0|2,1,0]=3 234 B9R1.69 c1cc(c(cc1Cl)Cl)[Zn+] H58653 [0,0,0,0,0,0|3,0,0]=3 235 B9R1.69 c1cc(c(cc1Cl)F)Br A19570 [0,0,0,0,0,0|3,0,0]=3 236 B9R1.69 c1cc(c(cc1Cl)F)Cl B21282 [0,0,0,0,0,0|3,0,0]=3 237 B9R1.69 c1cc(c(cc1Cl)F)F A12924 [0,0,0,0,0,0|3,0,0]=3 238 B9R1.69 c1cc(c(cc1Cl)F)I A19376 [0,0,0,0,0,0|3,0,0]=3 239 B9R1.69 c1cc(c(cc1Cl)F)N A16131 [0,0,0,0,0,0|3,0,0]=3 240 B9R1.69 c1cc(c(cc1Cl)F)O H61416 [0,0,0,0,0,0|2,0,1]=3 241 B9R1.69 c1cc(c(cc1Cl)I)Cl A14172 [0,0,0,0,0,0|3,0,0]=3 242 B9R1.69 c1cc(c(cc1Cl)I)N B25457 [0,0,0,0,0,0|3,0,0]=3 243 B9R1.69 c1cc(c(cc1Cl)N)Cl A11151 [0,0,0,0,0,0|3,0,0]=3 244 B9R1.69 c1cc(c(cc1Cl)N)F B20951 [0,0,0,0,0,0|3,0,0]=3 245 B9R1.69 c1cc(c(cc1Cl)N)I B25709 [0,0,0,0,0,0|3,0,0]=3 246 B9R1.69 c1cc(c(cc1Cl)N)N A10823 [0,0,0,0,0,0|3,0,0]=3 247 B9R1.69 c1cc(c(cc1Cl)N)O A10135 [0,0,0,0,0,0|2,0,1]=3 248 B9R1.69 c1cc(c(cc1Cl)N)S B25640 [0,0,0,0,0,0|2,1,0]=3 249 B9R1.69 c1cc(c(cc1Cl)O)Cl B24787 [0,0,0,0,0,0|2,0,0]=2 250 B9R1.69 c1cc(c(cc1Cl)O)N H64978 [0,0,0,0,0,0|2,0,0]=2 251 B9R1.69 c1cc(c(cc1Cl)S)Cl A11434 [0,0,0,0,0,0|2,1,0]=3 252 B9R1.69 c1cc(c(cc1Cl)[Zn+])Cl H58587 [0,0,0,0,0,0|3,0,0]=3 253 B9R1.69 c1cc(c(cc1F)Br)Br B20935 [0,0,0,0,0,0|3,1,0]=4 254 B9R1.69 c1cc(c(cc1F)Br)Cl B25532 [0,0,0,0,0,0|3,1,0]=4 255 B9R1.69 c1cc(c(cc1F)Br)F A12963 [0,0,0,0,0,0|3,1,0]=4 256 B9R1.69 c1cc(c(cc1F)Br)I L20144 [0,0,0,0,0,0|3,1,0]=4 257 B9R1.69 c1cc(c(cc1F)Br)N A11751 [0,0,0,0,0,0|3,1,0]=4 258 B9R1.69 c1cc(c(cc1F)Br)O A11263 [0,0,0,0,0,0|2,1,1]=4 259 B9R1.69 c1cc(c(cc1F)Cl)Br B25538 [0,0,0,0,0,0|3,1,0]=4 260 B9R1.69 c1cc(c(cc1F)Cl)Cl A11357 [0,0,0,0,0,0|3,1,0]=4 261 B9R1.69 c1cc(c(cc1F)Cl)F A14178 [0,0,0,0,0,0|3,1,0]=4 262 B9R1.69 c1cc(c(cc1F)Cl)I A12010 [0,0,0,0,0,0|3,1,0]=4 263 B9R1.69 c1cc(c(cc1F)Cl)N A15492 [0,0,0,0,0,0|3,1,0]=4 264 B9R1.69 c1cc(c(cc1F)Cl)O A10864 [0,0,0,0,0,0|2,1,1]=4 265 B9R1.69 c1cc(c(cc1F)Cl)S A13498 [0,0,0,0,0,0|2,2,0]=4 266 B9R1.69 c1cc(c(cc1F)F)Br A14098 [0,0,0,0,0,0|3,1,0]=4 267 B9R1.69 c1cc(c(cc1F)F)Cl A15495 [0,0,0,0,0,0|3,1,0]=4 268 B9R1.69 c1cc(c(cc1F)F)F A11424 [0,0,0,0,0,0|3,1,0]=4 269 B9R1.69 c1cc(c(cc1F)F)I A10798 [0,0,0,0,0,0|3,1,0]=4 270 B9R1.69 c1cc(c(cc1F)F)N A13673 [0,0,0,0,0,0|3,1,0]=4 271 B9R1.69 c1cc(c(cc1F)F)O A14044 [0,0,0,0,0,0|2,1,1]=4 272 B9R1.69 c1cc(c(cc1F)F)S B24726 [0,0,0,0,0,0|2,2,0]=4 273 B9R1.69 c1cc(c(cc1F)F)[Zn+] H58979 [0,0,0,0,0,0|3,1,0]=4 274 B9R1.69 c1cc(c(cc1F)I)Br B25289 [0,0,0,0,0,0|3,1,0]=4 275 B9R1.69 c1cc(c(cc1F)I)F H26890 [0,0,0,0,0,0|3,1,0]=4 276 B9R1.69 c1cc(c(cc1F)I)N B25499 [0,0,0,0,0,0|3,1,0]=4 277 B9R1.69 c1cc(c(cc1F)N)Br B24901 [0,0,0,0,0,0|3,1,0]=4 278 B9R1.69 c1cc(c(cc1F)N)Cl B25618 [0,0,0,0,0,0|3,1,0]=4 279 B9R1.69 c1cc(c(cc1F)N)F A10272 [0,0,0,0,0,0|3,1,0]=4 280 B9R1.69 c1cc(c(cc1F)N)I L17723 [0,0,0,0,0,0|3,1,0]=4 281 B9R1.69 c1cc(c(cc1F)N)N A13977 [0,0,0,0,0,0|3,1,0]=4 282 B9R1.69 c1cc(c(cc1F)N)O H26165 [0,0,0,0,0,0|2,1,1]=4 283 B9R1.69 c1cc(c(cc1F)O)Br A15064 [0,0,0,0,0,0|2,1,0]=3 284 B9R1.69 c1cc(c(cc1F)O)Cl H28567 [0,0,0,0,0,0|2,1,0]=3 285 B9R1.69 c1cc(c(cc1F)O)F A18744 [0,0,0,0,0,0|2,1,0]=3 286 B9R1.69 c1cc(c(cc1F)O)N H32928 [0,0,0,0,0,0|2,1,0]=3 287 B9R1.69 c1cc(c(cc1F)[Zn+])F H58202 [0,0,0,0,0,0|3,1,0]=4 288 B9R1.69 c1cc(c(cc1I)Cl)Cl A13440 [0,0,0,0,0,0|3,1,0]=4 289 B9R1.69 c1cc(c(cc1I)Cl)F A11808 [0,0,0,0,0,0|3,1,0]=4 290 B9R1.69 c1cc(c(cc1I)Cl)N A10742 [0,0,0,0,0,0|3,1,0]=4 291 B9R1.69 c1cc(c(cc1I)F)Br A19190 [0,0,0,0,0,0|3,1,0]=4 292 B9R1.69 c1cc(c(cc1I)F)F A11339 [0,0,0,0,0,0|3,1,0]=4 293 B9R1.69 c1cc(c(cc1I)F)N B22450 [0,0,0,0,0,0|3,1,0]=4 294 B9R1.69 c1cc(c(cc1I)N)N H64469 [0,0,0,0,0,0|3,1,0]=4 295 B9R1.69 c1cc(c(cc1N)Br)Cl H32115 [0,0,0,0,0,0|4,0,0]=4 296 B9R1.69 c1cc(c(cc1N)Br)F B25610 [0,0,0,0,0,0|4,0,0]=4 297 B9R1.69 c1cc(c(cc1N)Cl)Br L03268 [0,0,0,0,0,0|4,0,0]=4 298 B9R1.69 c1cc(c(cc1N)Cl)Cl A15199 [0,0,0,0,0,0|4,0,0]=4 299 B9R1.69 c1cc(c(cc1N)Cl)F A11858 [0,0,0,0,0,0|4,0,0]=4 300 B9R1.69 c1cc(c(cc1N)Cl)I A14256 [0,0,0,0,0,0|4,0,0]=4 301 B9R1.69 c1cc(c(cc1N)Cl)N B24029 [0,0,0,0,0,0|4,0,0]=4 302 B9R1.69 c1cc(c(cc1N)Cl)O B23420 [0,0,0,0,0,0|3,0,1]=4 303 B9R1.69 c1cc(c(cc1N)F)Br B22227 [0,0,0,0,0,0|4,0,0]=4 304 B9R1.69 c1cc(c(cc1N)F)Cl H26148 [0,0,0,0,0,0|4,0,0]=4 305 B9R1.69 c1cc(c(cc1N)F)F A13999 [0,0,0,0,0,0|4,0,0]=4 306 B9R1.69 c1cc(c(cc1N)F)I H61427 [0,0,0,0,0,0|4,0,0]=4 307 B9R1.69 c1cc(c(cc1N)F)O H25936 [0,0,0,0,0,0|3,0,1]=4 308 B9R1.69 c1cc(c(cc1N)N)Cl A15430 [0,0,0,0,0,0|4,0,0]=4 309 B9R1.69 c1cc(c(cc1N)N)F H61476 [0,0,0,0,0,0|4,0,0]=4 310 B9R1.69 c1cc(c(cc1N)N)N A17758 [0,0,0,0,0,0|4,0,0]=4 311 B9R1.69 c1cc(c(cc1N)N)O A17697 [0,0,0,0,0,0|3,0,1]=4 312 B9R1.69 c1cc(c(cc1N)O)Cl H66371 [0,0,0,0,0,0|3,0,0]=3 313 B9R1.69 c1cc(c(cc1N)O)F H33821 [0,0,0,0,0,0|3,0,0]=3 314 B9R1.69 c1cc(c(cc1O)Br)F H61702 [0,0,0,0,0,0|4,0,0]=4 315 B9R1.69 c1cc(c(cc1O)Cl)Br L13801 [0,0,0,0,0,0|4,0,0]=4 316 B9R1.69 c1cc(c(cc1O)Cl)Cl A12256 [0,0,0,0,0,0|4,0,0]=4 317 B9R1.69 c1cc(c(cc1O)Cl)F A14382 [0,0,0,0,0,0|4,0,0]=4 318 B9R1.69 c1cc(c(cc1O)Cl)N A19720 [0,0,0,0,0,0|4,0,0]=4 319 B9R1.69 c1cc(c(cc1O)Cl)N H66310 [0,0,0,0,0,0|4,0,0]=4 320 B9R1.69 c1cc(c(cc1O)Cl)O A19554 [0,0,0,0,0,0|3,0,1]=4 321 B9R1.69 c1cc(c(cc1O)F)Br H32488 [0,0,0,0,0,0|4,0,0]=4 322 B9R1.69 c1cc(c(cc1O)F)Cl A16029 [0,0,0,0,0,0|4,0,0]=4 323 B9R1.69 c1cc(c(cc1O)F)F A12596 [0,0,0,0,0,0|4,0,0]=4 324 B9R1.69 c1cc(c(cc1O)F)N H26084 [0,0,0,0,0,0|4,0,0]=4 325 B9R1.69 c1cc(c(cc1O)I)Cl B25547 [0,0,0,0,0,0|4,0,0]=4 326 B9R1.69 c1cc(c(cc1O)N)Cl H55826 [0,0,0,0,0,0|4,0,0]=4 327 B9R1.69 c1cc(c(cc1O)N)F H61829 [0,0,0,0,0,0|4,0,0]=4 328 B9R1.69 c1cc(c(cc1O)O)Br H66087 [0,0,0,0,0,0|3,0,0]=3 329 B9R1.69 c1cc(c(cc1O)O)Cl B24076 [0,0,0,0,0,0|3,0,0]=3 330 B9R1.69 c1cc(c(cc1O)O)F H60426 [0,0,0,0,0,0|3,0,0]=3 331 B9R1.69 c1cc(c(cc1O)O)O A13069 [0,0,0,0,0,0|2,0,1]=3 332 B9R1.69 c1cc(c(cc1S)Cl)Cl L12031 [0,0,0,0,0,0|4,0,0]=4 333 B9R1.69 c1cc(c(cc1S)Cl)F A10856 [0,0,0,0,0,0|4,0,0]=4 334 B9R1.69 c1cc(c(cc1S)F)F H60299 [0,0,0,0,0,0|4,0,0]=4 335 B9R1.69 c1cc(c(cc1[Mg+])Cl)Cl H54621 [0,0,0,0,0,0|4,0,0]=4 336 B9R1.69 c1cc(c(cc1[Mg+])Cl)F H54700 [0,0,0,0,0,0|4,0,0]=4 337 B9R1.69 c1cc(c(cc1[Mg+])F)Cl H54018 [0,0,0,0,0,0|4,0,0]=4 338 B9R1.69 c1cc(c(cc1[Mg+])F)F H54197 [0,0,0,0,0,0|4,0,0]=4 339 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl H58566 [0,0,0,0,0,0|4,0,0]=4 340 B9R1.69 c1cc(c(cc1[Zn+])Cl)F H58698 [0,0,0,0,0,0|4,0,0]=4 341 B9R1.69 c1cc(c(cc1[Zn+])F)F H58478 [0,0,0,0,0,0|4,0,0]=4 342 B9R1.69 c1cc(nc(c1Br)Br)Cl H27136 [0,0,0,0,0,0|4,0,0]=4 343 B9R1.69 c1cc(nc(c1Br)Cl)Cl H27797 [0,0,0,0,0,0|4,0,0]=4 344 B9R1.69 c1cc(nc(c1I)Cl)Cl H64366 [0,0,0,0,0,0|4,0,0]=4 345 B9R1.69 c1cc(nc(c1I)F)Cl H32895 [0,0,0,0,0,0|4,0,0]=4 346 B9R1.69 c1cc(nc(c1N)Cl)Cl H31598 [0,0,0,0,0,0|4,0,0]=4 347 B9R1.69 c1cc(nc(c1N)N)Cl H61716 [0,0,0,0,0,0|4,0,0]=4 348 B9R1.69 c1cc(nc(c1O)I)Cl H33127 [0,0,0,0,0,0|3,0,1]=4 349 B8R1.3 C1=CC(=O)C=CC1=O A13162 [1,0,0,0,0,0|2,0,0]=3 350 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [1,0,0,0,0,0|2,0,0]=3 351 B8R1.3 Cc1ccc(cc1)Br A15843 [1,0,0,0,0,0|2,1,0]=4 352 B8R1.3 Cc1ccc(cc1)C A10534 [1,0,0,0,0,0|3,0,0]=4 353 B8R1.3 Cc1ccc(cc1)Cl L04672 [1,0,0,0,0,0|2,0,0]=3 354 B8R1.3 Cc1ccc(cc1)F A10365 [1,0,0,0,0,0|2,1,0]=4 355 B8R1.3 Cc1ccc(cc1)I A15631 [1,0,0,0,0,0|2,1,0]=4 356 B8R1.3 Cc1ccc(cc1)N A13698 [1,0,0,0,0,0|3,0,0]=4 357 B8R1.3 Cc1ccc(cc1)O A13531 [1,0,0,0,0,0|2,0,1]=4 358 B8R1.3 Cc1ccc(cc1)S B24970 [1,0,0,0,0,0|2,1,0]=4 359 B8R1.3 Cc1ccc(cc1)[S-] H55095 [1,0,0,0,0,0|2,1,0]=4 360 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [1,0,0,0,0,0|3,0,0]=4 361 B8R1.3 Cc1ccc(cn1)Br H27085 [1,0,0,0,0,0|1,1,1]=4 362 B8R1.3 Cc1ccc(cn1)N H27431 [1,0,0,0,0,0|2,0,1]=4 363 B8R1.3 Cc1ccc(cn1)O B25014 [1,0,0,0,0,0|2,0,1]=4 364 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [1,0,0,0,0,0|2,0,1]=4 365 B8R1.3 Cc1ccc(nc1)Br B25083 [1,0,0,0,0,0|2,0,1]=4 366 B8R1.3 Cc1ccc(nc1)Cl H59145 [1,0,0,0,0,0|2,0,1]=4 367 B8R1.3 Cc1ccc(nc1)F L12241 [1,0,0,0,0,0|2,0,1]=4 368 B8R1.3 Cc1ccc(nc1)N A13330 [1,0,0,0,0,0|2,0,1]=4 369 B8R1.3 Cc1ccc(nc1)O L19528 [1,0,0,0,0,0|1,0,2]=4 370 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [1,0,0,0,0,0|2,0,1]=4 371 B8R1.3 Cc1ccc(nn1)Cl A13480 [1,0,0,0,0,0|2,0,1]=4 372 B8R1.3 c1c(cnc(n1)Cl)Cl H64066 [1,0,0,0,0,0|2,0,1]=4 373 B8R1.3 c1c(cnc(n1)I)Cl H64185 [1,0,0,0,0,0|2,0,1]=4 374 B8R1.3 c1c(cnc(n1)N)Cl L19248 [1,0,0,0,0,0|2,0,1]=4 375 B8R1.3 c1c(ncc(n1)Cl)N H66509 [1,0,0,0,0,0|2,0,1]=4 376 B8R1.3 c1cc(ccc1Br)Br A10517 [1,0,0,0,0,0|2,1,0]=4 377 B8R1.3 c1cc(ccc1Br)I A13859 [1,0,0,0,0,0|2,1,0]=4 378 B8R1.3 c1cc(ccc1Cl)Br A12160 [1,0,0,0,0,0|2,0,0]=3 379 B8R1.3 c1cc(ccc1Cl)Cl A16290 [1,0,0,0,0,0|2,0,0]=3 380 B8R1.3 c1cc(ccc1Cl)I A13459 [1,0,0,0,0,0|2,0,0]=3 381 B8R1.3 c1cc(ccc1Cl)[Zn+] H58740 [1,0,0,0,0,0|2,0,0]=3 382 B8R1.3 c1cc(ccc1F)Br A11630 [1,0,0,0,0,0|2,1,0]=4 383 B8R1.3 c1cc(ccc1F)Cl A13690 [1,0,0,0,0,0|2,0,0]=3 384 B8R1.3 c1cc(ccc1F)F A16217 [1,0,0,0,0,0|2,1,0]=4 385 B8R1.3 c1cc(ccc1F)I A12008 [1,0,0,0,0,0|2,1,0]=4 386 B8R1.3 c1cc(ccc1F)S A17600 [1,0,0,0,0,0|1,2,0]=4 387 B8R1.3 c1cc(ccc1F)[Mg+] H51169 [1,0,0,0,0,0|2,1,0]=4 388 B8R1.3 c1cc(ccc1F)[Zn+] H58780 [1,0,0,0,0,0|2,1,0]=4 389 B8R1.3 c1cc(ccc1I)I A15335 [1,0,0,0,0,0|2,1,0]=4 390 B8R1.3 c1cc(ccc1N)Br A15126 [1,0,0,0,0,0|2,1,0]=4 391 B8R1.3 c1cc(ccc1N)Cl A12879 [1,0,0,0,0,0|2,0,0]=3 392 B8R1.3 c1cc(ccc1N)Cl L13744 [1,0,0,0,0,0|2,0,0]=3 393 B8R1.3 c1cc(ccc1N)F A15597 [1,0,0,0,0,0|2,1,0]=4 394 B8R1.3 c1cc(ccc1N)I B21936 [1,0,0,0,0,0|2,1,0]=4 395 B8R1.3 c1cc(ccc1N)N A10638 [1,0,0,0,0,0|3,0,0]=4 396 B8R1.3 c1cc(ccc1N)N A12659 [1,0,0,0,0,0|3,0,0]=4 397 B8R1.3 c1cc(ccc1N)N A15680 [1,0,0,0,0,0|3,0,0]=4 398 B8R1.3 c1cc(ccc1N)O A13581 [1,0,0,0,0,0|2,0,1]=4 399 B8R1.3 c1cc(ccc1N)S A14082 [1,0,0,0,0,0|2,1,0]=4 400 B8R1.3 c1cc(ccc1O)Br A14873 [1,0,0,0,0,0|1,1,1]=4 401 B8R1.3 c1cc(ccc1O)Cl A15602 [1,0,0,0,0,0|1,0,1]=3 402 B8R1.3 c1cc(ccc1O)F A11945 [1,0,0,0,0,0|1,1,1]=4 403 B8R1.3 c1cc(ccc1O)I A13455 [1,0,0,0,0,0|1,1,1]=4 404 B8R1.3 c1cc(ccc1O)O A11411 [1,0,0,0,0,0|2,0,1]=4 405 B8R1.3 c1cc(ccc1O)O A16681 [1,0,0,0,0,0|2,0,1]=4 406 B8R1.3 c1cc(ccc1O)S L04429 [1,0,0,0,0,0|2,0,1]=4 407 B8R1.3 c1cc(ccc1S)Br A10555 [1,0,0,0,0,0|1,2,0]=4 408 B8R1.3 c1cc(ccc1S)Cl B23838 [1,0,0,0,0,0|1,1,0]=3 409 B8R1.3 c1cc(ccc1S)S L19440 [1,0,0,0,0,0|2,1,0]=4 410 B8R1.3 c1cc(ccc1[Mg+])Cl H51163 [1,0,0,0,0,0|2,0,0]=3 411 B8R1.3 c1cc(ccc1[Zn+])Br H58429 [1,0,0,0,0,0|2,1,0]=4 412 B8R1.3 c1cc(n[nH]c1=O)Cl H61837 [1,0,0,0,0,0|1,0,0]=2 413 B8R1.3 c1cc(ncc1Br)Br A10937 [1,0,0,0,0,0|1,1,1]=4 414 B8R1.3 c1cc(ncc1Br)Cl B24862 [1,0,0,0,0,0|1,1,1]=4 415 B8R1.3 c1cc(ncc1Br)F L19537 [1,0,0,0,0,0|1,1,1]=4 416 B8R1.3 c1cc(ncc1Br)I L19610 [1,0,0,0,0,0|1,1,1]=4 417 B8R1.3 c1cc(ncc1Br)N A14280 [1,0,0,0,0,0|1,1,1]=4 418 B8R1.3 c1cc(ncc1Br)O B25267 [1,0,0,0,0,0|0,1,2]=4 419 B8R1.3 c1cc(ncc1Cl)Br H64367 [1,0,0,0,0,0|1,0,1]=3 420 B8R1.3 c1cc(ncc1Cl)Cl A15442 [1,0,0,0,0,0|1,0,1]=3 421 B8R1.3 c1cc(ncc1Cl)F H26945 [1,0,0,0,0,0|1,0,1]=3 422 B8R1.3 c1cc(ncc1Cl)I H64339 [1,0,0,0,0,0|1,0,1]=3 423 B8R1.3 c1cc(ncc1Cl)N A12063 [1,0,0,0,0,0|1,0,1]=3 424 B8R1.3 c1cc(ncc1Cl)O A11914 [1,0,0,0,0,0|0,0,2]=3 425 B8R1.3 c1cc(ncc1F)Br L19536 [1,0,0,0,0,0|1,1,1]=4 426 B8R1.3 c1cc(ncc1F)Cl H27462 [1,0,0,0,0,0|1,1,1]=4 427 B8R1.3 c1cc(ncc1F)F H31130 [1,0,0,0,0,0|1,1,1]=4 428 B8R1.3 c1cc(ncc1F)N L20010 [1,0,0,0,0,0|1,1,1]=4 429 B8R1.3 c1cc(ncc1I)Br L20016 [1,0,0,0,0,0|1,1,1]=4 430 B8R1.3 c1cc(ncc1I)Cl B25271 [1,0,0,0,0,0|1,1,1]=4 431 B8R1.3 c1cc(ncc1I)F L20041 [1,0,0,0,0,0|1,1,1]=4 432 B8R1.3 c1cc(ncc1I)I L20118 [1,0,0,0,0,0|1,1,1]=4 433 B8R1.3 c1cc(ncc1I)N B25175 [1,0,0,0,0,0|1,1,1]=4 434 B8R1.3 c1cc(ncc1I)O L20044 [1,0,0,0,0,0|0,1,2]=4 435 B8R1.3 c1cc(ncc1N)Br L20008 [1,0,0,0,0,0|2,0,1]=4 436 B8R1.3 c1cc(ncc1N)Cl B25336 [1,0,0,0,0,0|2,0,1]=4 437 B8R1.3 c1cc(ncc1N)F H30872 [1,0,0,0,0,0|2,0,1]=4 438 B8R1.3 c1cc(ncc1N)I H27793 [1,0,0,0,0,0|2,0,1]=4 439 B8R1.3 c1cc(ncc1N)N L05599 [1,0,0,0,0,0|2,0,1]=4 440 B8R1.3 c1cc(ncc1N)O H27961 [1,0,0,0,0,0|1,0,2]=4 441 B8R1.3 c1cc(ncc1O)Br H27228 [1,0,0,0,0,0|2,0,1]=4 442 B8R1.3 c1cc(ncc1O)Cl L17701 [1,0,0,0,0,0|2,0,1]=4 443 B8R1.3 c1cc(ncc1O)F H27741 [1,0,0,0,0,0|2,0,1]=4 444 B8R1.3 c1cc(ncc1[Zn+])Cl H58537 [1,0,0,0,0,0|2,0,1]=4 445 B8R1.3 c1cc(nnc1Cl)Cl A14795 [1,0,0,0,0,0|2,0,1]=4 446 B8R1.3 c1cc(nnc1Cl)I H63879 [1,0,0,0,0,0|2,0,1]=4 447 B8R1.3 c1cc(nnc1N)Cl A10185 [1,0,0,0,0,0|2,0,1]=4 448 B8R1.4 Cc1cc(ccn1)Cl B24719 [1,0,0,0,0,0|3,0,0]=4 449 B8R1.4 Cc1cc(ccn1)Cl H64093 [1,0,0,0,0,0|3,0,0]=4 450 B8R1.4 Cc1cc(cnc1)Br H30137 [1,0,0,0,0,0|1,1,1]=4 451 B8R1.4 Cc1cc(cnc1)C A14877 [1,0,0,0,0,0|2,0,1]=4 452 B8R1.4 Cc1cc(cnc1)O H32658 [1,0,0,0,0,0|1,0,1]=3 453 B8R1.4 Cc1cccc(c1)Br A13990 [1,0,0,0,0,0|2,1,0]=4 454 B8R1.4 Cc1cccc(c1)C L03788 [1,0,0,0,0,0|3,0,0]=4 455 B8R1.4 Cc1cccc(c1)Cl A16991 [1,0,0,0,0,0|2,0,0]=3 456 B8R1.4 Cc1cccc(c1)F A16107 [1,0,0,0,0,0|2,1,0]=4 457 B8R1.4 Cc1cccc(c1)I A10999 [1,0,0,0,0,0|2,1,0]=4 458 B8R1.4 Cc1cccc(c1)N A14058 [1,0,0,0,0,0|3,0,0]=4 459 B8R1.4 Cc1cccc(c1)O A10733 [1,0,0,0,0,0|2,0,0]=3 460 B8R1.4 Cc1cccc(c1)S B23818 [1,0,0,0,0,0|2,1,0]=4 461 B8R1.4 Cc1cccc(c1)[Zn+] H58431 [1,0,0,0,0,0|3,0,0]=4 462 B8R1.4 Cc1cccc(n1)Cl B20174 [1,0,0,0,0,0|3,0,0]=4 463 B8R1.4 Cc1cccc(n1)O A14764 [1,0,0,0,0,0|3,0,0]=4 464 B8R1.4 Cc1ccnc(c1)Cl H60607 [1,0,0,0,0,0|3,0,0]=4 465 B8R1.4 Cc1ccnc(c1)O L16188 [1,0,0,0,0,0|3,0,0]=4 466 B8R1.4 Cc1cncc(n1)Cl H63650 [1,0,0,0,0,0|2,0,1]=4 467 B8R1.4 c1c(cncc1Br)Br A10875 [1,0,0,0,0,0|1,1,1]=4 468 B8R1.4 c1c(cncc1Br)Cl H27454 [1,0,0,0,0,0|1,0,1]=3 469 B8R1.4 c1c(cncc1Br)F H25766 [1,0,0,0,0,0|1,1,1]=4 470 B8R1.4 c1c(cncc1Br)N H56566 [1,0,0,0,0,0|1,1,1]=4 471 B8R1.4 c1c(cncc1Br)O H27256 [1,0,0,0,0,0|0,1,1]=3 472 B8R1.4 c1c(cncc1Cl)Cl L03380 [1,0,0,0,0,0|1,0,1]=3 473 B8R1.4 c1c(cncc1Cl)F H30170 [1,0,0,0,0,0|1,0,1]=3 474 B8R1.4 c1c(cncc1Cl)N H31833 [1,0,0,0,0,0|1,0,1]=3 475 B8R1.4 c1c(cncc1Cl)O L07568 [1,0,0,0,0,0|0,0,1]=2 476 B8R1.4 c1c(cncc1F)F L19539 [1,0,0,0,0,0|1,1,1]=4 477 B8R1.4 c1c(cncc1F)N H34111 [1,0,0,0,0,0|1,1,1]=4 478 B8R1.4 c1c(cncc1F)O H32683 [1,0,0,0,0,0|0,1,1]=3 479 B8R1.4 c1c(cncc1I)Br H64007 [1,0,0,0,0,0|1,1,1]=4 480 B8R1.4 c1c(cncc1I)F H64770 [1,0,0,0,0,0|1,1,1]=4 481 B8R1.4 c1c(nc(cn1)Cl)Cl A11175 [1,0,0,0,0,0|2,0,1]=4 482 B8R1.4 c1c(nc(cn1)Cl)N H61934 [1,0,0,0,0,0|2,0,1]=4 483 B8R1.4 c1cc(cc(c1)Br)Br A12723 [1,0,0,0,0,0|2,1,0]=4 484 B8R1.4 c1cc(cc(c1)Br)Cl A14026 [1,0,0,0,0,0|2,0,0]=3 485 B8R1.4 c1cc(cc(c1)Br)F A10858 [1,0,0,0,0,0|2,1,0]=4 486 B8R1.4 c1cc(cc(c1)Br)N A13665 [1,0,0,0,0,0|2,1,0]=4 487 B8R1.4 c1cc(cc(c1)Br)O A14849 [1,0,0,0,0,0|1,1,0]=3 488 B8R1.4 c1cc(cc(c1)Br)S B25092 [1,0,0,0,0,0|1,2,0]=4 489 B8R1.4 c1cc(cc(c1)Br)[Zn+] H58686 [1,0,0,0,0,0|2,1,0]=4 490 B8R1.4 c1cc(cc(c1)Cl)Cl A13688 [1,0,0,0,0,0|2,0,0]=3 491 B8R1.4 c1cc(cc(c1)Cl)F A13123 [1,0,0,0,0,0|2,0,0]=3 492 B8R1.4 c1cc(cc(c1)Cl)N A12019 [1,0,0,0,0,0|2,0,0]=3 493 B8R1.4 c1cc(cc(c1)Cl)N L13484 [1,0,0,0,0,0|2,0,0]=3 494 B8R1.4 c1cc(cc(c1)Cl)O A13671 [1,0,0,0,0,0|1,0,0]=2 495 B8R1.4 c1cc(cc(c1)Cl)S L04806 [1,0,0,0,0,0|1,1,0]=3 496 B8R1.4 c1cc(cc(c1)Cl)[Mg+] H51161 [1,0,0,0,0,0|2,0,0]=3 497 B8R1.4 c1cc(cc(c1)F)F A14387 [1,0,0,0,0,0|2,1,0]=4 498 B8R1.4 c1cc(cc(c1)F)N A14228 [1,0,0,0,0,0|2,1,0]=4 499 B8R1.4 c1cc(cc(c1)F)O A13598 [1,0,0,0,0,0|1,1,0]=3 500 B8R1.4 c1cc(cc(c1)I)Br A19596 [1,0,0,0,0,0|2,1,0]=4 501 B8R1.4 c1cc(cc(c1)I)Cl A15567 [1,0,0,0,0,0|2,0,0]=3 502 B8R1.4 c1cc(cc(c1)I)F A11706 [1,0,0,0,0,0|2,1,0]=4 503 B8R1.4 c1cc(cc(c1)I)I L17445 [1,0,0,0,0,0|2,1,0]=4 504 B8R1.4 c1cc(cc(c1)I)N L01159 [1,0,0,0,0,0|2,1,0]=4 505 B8R1.4 c1cc(cc(c1)I)O A11155 [1,0,0,0,0,0|1,1,0]=3 506 B8R1.4 c1cc(cc(c1)N)N A15339 [1,0,0,0,0,0|3,0,0]=4 507 B8R1.4 c1cc(cc(c1)O)N A11943 [1,0,0,0,0,0|2,0,0]=3 508 B8R1.4 c1cc(cc(c1)O)O 36248 [1,0,0,0,0,0|2,0,0]=3 509 B8R1.4 c1cc(cc(c1)O)O A13080 [1,0,0,0,0,0|2,0,0]=3 510 B8R1.4 c1cc(cc(c1)S)F B23114 [1,0,0,0,0,0|1,2,0]=4 511 B8R1.4 c1cc(cc(c1)S)N B25473 [1,0,0,0,0,0|2,1,0]=4 512 B8R1.4 c1cc(cc(c1)S)S L19439 [1,0,0,0,0,0|2,1,0]=4 513 B8R1.4 c1cc(cc(c1)[Mg+])F H51168 [1,0,0,0,0,0|2,1,0]=4 514 B8R1.4 c1cc(cc(c1)[Zn+])Cl H58709 [1,0,0,0,0,0|2,0,0]=3 515 B8R1.4 c1cc(cc(c1)[Zn+])F H58161 [1,0,0,0,0,0|2,1,0]=4 516 B8R1.4 c1cc(nc(c1)Br)Cl H26961 [1,0,0,0,0,0|3,0,0]=4 517 B8R1.4 c1cc(nc(c1)Cl)Cl A11364 [1,0,0,0,0,0|3,0,0]=4 518 B8R1.4 c1cc(nc(c1)Cl)N L19836 [1,0,0,0,0,0|3,0,0]=4 519 B8R1.4 c1cc(nc(c1)Cl)O A13164 [1,0,0,0,0,0|2,0,0]=3 520 B8R1.4 c1cc(nc(c1)F)O H31686 [1,0,0,0,0,0|2,1,0]=4 521 B8R1.4 c1cnc(cc1Br)Cl H27299 [1,0,0,0,0,0|3,0,0]=4 522 B8R1.4 c1cnc(cc1Br)O H32067 [1,0,0,0,0,0|2,1,0]=4 523 B8R1.4 c1cnc(cc1Cl)Br H33698 [1,0,0,0,0,0|3,0,0]=4 524 B8R1.4 c1cnc(cc1Cl)Cl L20040 [1,0,0,0,0,0|3,0,0]=4 525 B8R1.4 c1cnc(cc1Cl)F H64557 [1,0,0,0,0,0|3,0,0]=4 526 B8R1.4 c1cnc(cc1Cl)N H59130 [1,0,0,0,0,0|3,0,0]=4 527 B8R1.4 c1cnc(cc1Cl)O H29250 [1,0,0,0,0,0|2,0,0]=3 528 B8R1.4 c1cnc(cc1F)Cl L20023 [1,0,0,0,0,0|3,0,0]=4 529 B8R1.4 c1cnc(cc1I)Cl L19623 [1,0,0,0,0,0|3,0,0]=4 530 B8R1.4 c1cnc(cc1N)Cl B22098 [1,0,0,0,0,0|3,0,0]=4 531 B8R1.4 c1cnc(cc1O)Cl H27549 [1,0,0,0,0,0|2,0,0]=3 532 B8R1.4 c1cnc(cc1O)F H31697 [1,0,0,0,0,0|2,1,0]=4 533 B8R1.4 c1cnc(cc1O)N H64836 [1,0,0,0,0,0|3,0,0]=4 534 B8R1.4 c1cnc(cc1O)O A13566 [1,0,0,0,0,0|3,0,0]=4 535 B8R1.5 Cc1c(cccn1)Br H27271 [1,0,0,0,0,0|2,0,1]=4 536 B8R1.5 Cc1c(cccn1)F H64705 [1,0,0,0,0,0|2,0,1]=4 537 B8R1.5 Cc1c(cccn1)N H27540 [1,0,0,0,0,0|2,0,1]=4 538 B8R1.5 Cc1c(cccn1)O B24944 [1,0,0,0,0,0|1,0,1]=3 539 B8R1.5 Cc1c(nccn1)O H51880 [1,0,0,0,0,0|2,0,1]=4 540 B8R1.5 Cc1ccc[nH]c1=O A12700 [1,0,0,0,0,0|1,0,0]=2 541 B8R1.5 Cc1ccccc1Br A12315 [1,0,0,0,0,0|3,0,0]=4 542 B8R1.5 Cc1ccccc1C 22902 [1,0,0,0,0,0|3,0,0]=4 543 B8R1.5 Cc1ccccc1C 32471 [1,0,0,0,0,0|3,0,0]=4 544 B8R1.5 Cc1ccccc1C A11358 [1,0,0,0,0,0|3,0,0]=4 545 B8R1.5 Cc1ccccc1Cl B23596 [1,0,0,0,0,0|3,0,0]=4 546 B8R1.5 Cc1ccccc1F A16912 [1,0,0,0,0,0|3,0,0]=4 547 B8R1.5 Cc1ccccc1I B22697 [1,0,0,0,0,0|3,0,0]=4 548 B8R1.5 Cc1ccccc1N A13602 [1,0,0,0,0,0|3,0,0]=4 549 B8R1.5 Cc1ccccc1O A12307 [1,0,0,0,0,0|2,0,0]=3 550 B8R1.5 Cc1ccccc1S B22460 [1,0,0,0,0,0|2,1,0]=4 551 B8R1.5 Cc1ccccc1[O-] 89454 [1,0,0,0,0,0|2,0,1]=4 552 B8R1.5 Cc1ccccc1[Zn+] H58749 [1,0,0,0,0,0|3,0,0]=4 553 B8R1.5 Cc1cccnc1Br L19522 [1,0,0,0,0,0|2,0,1]=4 554 B8R1.5 Cc1cccnc1C L03697 [1,0,0,0,0,0|2,0,1]=4 555 B8R1.5 Cc1cccnc1Cl L19861 [1,0,0,0,0,0|2,0,1]=4 556 B8R1.5 Cc1cccnc1F L10701 [1,0,0,0,0,0|2,0,1]=4 557 B8R1.5 Cc1cccnc1I L20047 [1,0,0,0,0,0|2,0,1]=4 558 B8R1.5 Cc1cccnc1N A10224 [1,0,0,0,0,0|2,0,1]=4 559 B8R1.5 Cc1cnccc1O H32265 [1,0,0,0,0,0|3,0,0]=4 560 B8R1.5 Cn1ccccc1=O B24244 [1,0,0,0,0,0|3,0,0]=4 561 B8R1.5 c1c(c(=O)nc[nH]1)Br H35395 [1,0,0,0,0,0|2,0,1]=4 562 B8R1.5 c1cc(c(nc1)Br)Br L19527 [1,0,0,0,0,0|2,0,1]=4 563 B8R1.5 c1cc(c(nc1)Br)Cl L20012 [1,0,0,0,0,0|2,0,1]=4 564 B8R1.5 c1cc(c(nc1)Br)F H31981 [1,0,0,0,0,0|2,0,1]=4 565 B8R1.5 c1cc(c(nc1)Br)N L19839 [1,0,0,0,0,0|2,0,1]=4 566 B8R1.5 c1cc(c(nc1)Br)O A12687 [1,0,0,0,0,0|1,0,1]=3 567 B8R1.5 c1cc(c(nc1)Cl)Br B25206 [1,0,0,0,0,0|2,0,1]=4 568 B8R1.5 c1cc(c(nc1)Cl)Cl A12241 [1,0,0,0,0,0|2,0,1]=4 569 B8R1.5 c1cc(c(nc1)Cl)F L20022 [1,0,0,0,0,0|2,0,1]=4 570 B8R1.5 c1cc(c(nc1)Cl)I L20028 [1,0,0,0,0,0|2,0,1]=4 571 B8R1.5 c1cc(c(nc1)Cl)N A15830 [1,0,0,0,0,0|2,0,1]=4 572 B8R1.5 c1cc(c(nc1)Cl)O A11376 [1,0,0,0,0,0|1,0,1]=3 573 B8R1.5 c1cc(c(nc1)F)Br H27208 [1,0,0,0,0,0|2,0,1]=4 574 B8R1.5 c1cc(c(nc1)F)Cl H27755 [1,0,0,0,0,0|2,0,1]=4 575 B8R1.5 c1cc(c(nc1)F)F H25771 [1,0,0,0,0,0|2,0,1]=4 576 B8R1.5 c1cc(c(nc1)F)I H50146 [1,0,0,0,0,0|2,0,1]=4 577 B8R1.5 c1cc(c(nc1)F)O H32862 [1,0,0,0,0,0|1,0,1]=3 578 B8R1.5 c1cc(c(nc1)I)O L08667 [1,0,0,0,0,0|1,0,1]=3 579 B8R1.5 c1cc(c(nc1)N)Br L20006 [1,0,0,0,0,0|2,0,1]=4 580 B8R1.5 c1cc(c(nc1)N)Cl H30166 [1,0,0,0,0,0|2,0,1]=4 581 B8R1.5 c1cc(c(nc1)N)F H31970 [1,0,0,0,0,0|2,0,1]=4 582 B8R1.5 c1cc(c(nc1)N)I H50001 [1,0,0,0,0,0|2,0,1]=4 583 B8R1.5 c1cc(c(nc1)N)N A14618 [1,0,0,0,0,0|2,0,1]=4 584 B8R1.5 c1cc(c(nc1)N)O A10665 [1,0,0,0,0,0|1,0,1]=3 585 B8R1.5 c1cc(c(nc1)O)Br L20014 [1,0,0,0,0,0|1,0,2]=4 586 B8R1.5 c1cc(c(nc1)O)Cl L20027 [1,0,0,0,0,0|1,0,2]=4 587 B8R1.5 c1cc(c(nc1)O)F H31705 [1,0,0,0,0,0|1,0,2]=4 588 B8R1.5 c1cc(c(nc1)O)N H64480 [1,0,0,0,0,0|1,0,2]=4 589 B8R1.5 c1cc(c(nc1)O)O L07104 [1,0,0,0,0,0|0,0,2]=3 590 B8R1.5 c1cc[n+](c(c1)O)[O-] H54207 [1,0,0,0,0,0|2,0,1]=4 591 B8R1.5 c1ccc(c(c1)Br)Br A14765 [1,0,0,0,0,0|3,0,0]=4 592 B8R1.5 c1ccc(c(c1)Br)I A17020 [1,0,0,0,0,0|3,0,0]=4 593 B8R1.5 c1ccc(c(c1)Cl)Br A11782 [1,0,0,0,0,0|3,0,0]=4 594 B8R1.5 c1ccc(c(c1)Cl)Cl 19385 [1,0,0,0,0,0|3,0,0]=4 595 B8R1.5 c1ccc(c(c1)Cl)Cl 32154 [1,0,0,0,0,0|3,0,0]=4 596 B8R1.5 c1ccc(c(c1)Cl)Cl A13881 [1,0,0,0,0,0|3,0,0]=4 597 B8R1.5 c1ccc(c(c1)Cl)I A18255 [1,0,0,0,0,0|3,0,0]=4 598 B8R1.5 c1ccc(c(c1)Cl)[Zn+] H58383 [1,0,0,0,0,0|3,0,0]=4 599 B8R1.5 c1ccc(c(c1)F)Br A10635 [1,0,0,0,0,0|3,0,0]=4 600 B8R1.5 c1ccc(c(c1)F)Cl B21209 [1,0,0,0,0,0|3,0,0]=4 601 B8R1.5 c1ccc(c(c1)F)F A10377 [1,0,0,0,0,0|3,0,0]=4 602 B8R1.5 c1ccc(c(c1)F)I A12411 [1,0,0,0,0,0|3,0,0]=4 603 B8R1.5 c1ccc(c(c1)F)S B24995 [1,0,0,0,0,0|2,1,0]=4 604 B8R1.5 c1ccc(c(c1)F)[Zn+] H58066 [1,0,0,0,0,0|3,0,0]=4 605 B8R1.5 c1ccc(c(c1)I)I B24425 [1,0,0,0,0,0|3,0,0]=4 606 B8R1.5 c1ccc(c(c1)N)Br A11788 [1,0,0,0,0,0|3,0,0]=4 607 B8R1.5 c1ccc(c(c1)N)Cl A15758 [1,0,0,0,0,0|3,0,0]=4 608 B8R1.5 c1ccc(c(c1)N)Cl L13483 [1,0,0,0,0,0|3,0,0]=4 609 B8R1.5 c1ccc(c(c1)N)F A12612 [1,0,0,0,0,0|3,0,0]=4 610 B8R1.5 c1ccc(c(c1)N)I A13059 [1,0,0,0,0,0|3,0,0]=4 611 B8R1.5 c1ccc(c(c1)N)N A11946 [1,0,0,0,0,0|3,0,0]=4 612 B8R1.5 c1ccc(c(c1)N)N J60354 [1,0,0,0,0,0|3,0,0]=4 613 B8R1.5 c1ccc(c(c1)N)O A13735 [1,0,0,0,0,0|2,0,0]=3 614 B8R1.5 c1ccc(c(c1)N)S A18952 [1,0,0,0,0,0|2,1,0]=4 615 B8R1.5 c1ccc(c(c1)O)Br A14112 [1,0,0,0,0,0|2,0,0]=3 616 B8R1.5 c1ccc(c(c1)O)Cl A10311 [1,0,0,0,0,0|2,0,0]=3 617 B8R1.5 c1ccc(c(c1)O)F A14979 [1,0,0,0,0,0|2,0,0]=3 618 B8R1.5 c1ccc(c(c1)O)I A13599 [1,0,0,0,0,0|2,0,0]=3 619 B8R1.5 c1ccc(c(c1)O)O A10164 [1,0,0,0,0,0|1,0,1]=3 620 B8R1.5 c1ccc(c(c1)O)S L12519 [1,0,0,0,0,0|1,1,0]=3 621 B8R1.5 c1ccc(c(c1)S)Br B25537 [1,0,0,0,0,0|2,1,0]=4 622 B8R1.5 c1ccc(c(c1)S)Cl A12014 [1,0,0,0,0,0|2,1,0]=4 623 B8R1.5 c1ccc(c(c1)S)S L11253 [1,0,0,0,0,0|1,2,0]=4 624 B8R1.5 c1cncc(c1N)O H35280 [1,0,0,0,0,0|3,0,0]=4 625 B8R1.5 c1cncc(c1O)Br H33754 [1,0,0,0,0,0|3,0,0]=4 626 B8R1.5 c1cncc(c1O)Cl H64783 [1,0,0,0,0,0|3,0,0]=4 627 B8R1.5 c1cncc(c1O)N H27205 [1,0,0,0,0,0|3,0,0]=4 628 B10R1.22 C1=C(C(=O)C(=CC1=O)Cl)Cl H27542 [0,1,0,0,0,0|3,0,0]=4 629 B10R1.22 CC1=CC(=O)C=C(C1=O)C A11342 [0,1,0,0,0,0|3,0,0]=4 630 B10R1.22 Cc1cc(c(c(c1)O)C)C A10745 [0,1,0,0,0,0|3,0,0]=4 631 B10R1.22 Cc1cc(cc(c1I)Cl)Cl A11452 [0,1,0,0,0,0|3,0,0]=4 632 B10R1.22 Cc1cc(cc(c1N)C)Cl A19362 [0,1,0,0,0,0|3,0,0]=4 633 B10R1.22 Cc1cc(cc(c1N)C)Cl B21996 [0,1,0,0,0,0|3,0,0]=4 634 B10R1.22 Cc1cc(cc(c1N)Cl)Cl A12591 [0,1,0,0,0,0|3,0,0]=4 635 B10R1.22 Cc1cc(cc(c1O)C)Cl A13649 [0,1,0,0,0,0|2,0,1]=4 636 B10R1.22 Cc1cc(cc(c1O)Cl)Cl H64312 [0,1,0,0,0,0|2,0,1]=4 637 B10R1.22 Cc1cc(cn(c1=O)C)Br H52279 [0,1,0,0,0,0|1,1,0]=3 638 B10R1.22 c1c(cc(c(c1Br)N)Br)Cl A19134 [0,1,0,0,0,0|3,0,0]=4 639 B10R1.22 c1c(cc(c(c1Cl)Br)Cl)Cl B25000 [0,1,0,0,0,0|3,0,0]=4 640 B10R1.22 c1c(cc(c(c1Cl)Cl)Br)Cl B22384 [0,1,0,0,0,0|3,0,0]=4 641 B10R1.22 c1c(cc(c(c1Cl)Cl)I)Cl L17657 [0,1,0,0,0,0|3,0,0]=4 642 B10R1.22 c1c(cc(c(c1Cl)I)Cl)Cl L11975 [0,1,0,0,0,0|3,0,0]=4 643 B10R1.22 c1c(cc(c(c1Cl)N)Br)Cl A18436 [0,1,0,0,0,0|3,0,0]=4 644 B10R1.22 c1c(cc(c(c1Cl)N)Cl)Cl A19044 [0,1,0,0,0,0|3,0,0]=4 645 B10R1.22 c1c(cc(c(c1Cl)N)I)Cl L17659 [0,1,0,0,0,0|3,0,0]=4 646 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl A11681 [0,1,0,0,0,0|2,0,1]=4 647 B10R1.22 c1c(cc(c(c1F)Br)Br)Cl A19536 [0,1,0,0,0,0|3,0,0]=4 648 B10R1.22 c1c(cc(c(c1F)Cl)Br)Cl L16713 [0,1,0,0,0,0|3,0,0]=4 649 B10R1.22 c1c(cc(c(c1F)N)Br)Cl H61298 [0,1,0,0,0,0|3,0,0]=4 650 B10R1.22 c1c(cc(c(c1F)N)F)Cl H32371 [0,1,0,0,0,0|3,0,0]=4 651 B10R1.22 c1c(cc(c(c1F)N)I)Cl L17658 [0,1,0,0,0,0|3,0,0]=4 652 B10R1.22 c1c(cc(c(c1F)O)Br)Cl H26770 [0,1,0,0,0,0|2,0,1]=4 653 B10R1.22 c1c(cc(c(c1F)O)F)Cl H26359 [0,1,0,0,0,0|2,0,1]=4 654 B10R1.22 c1c(cc(c(c1N)O)Cl)Cl H64801 [0,1,0,0,0,0|2,0,1]=4 655 B10R1.22 c1c(cc(c(c1O)Br)F)F H26203 [0,1,0,0,0,0|2,1,0]=4 656 B10R1.22 c1c(cc(c(c1O)F)F)Br B23853 [0,1,0,0,0,0|2,1,0]=4 657 B10R1.25 CCc1ccc(cc1O)O B21575 [0,1,0,0,0,0|3,0,0]=4 658 B10R1.25 COc1c(cc(cn1)Cl)F H34151 [0,1,0,0,0,0|1,0,2]=4 659 B10R1.25 COc1ccc(cc1Cl)Cl B20042 [0,1,0,0,0,0|2,0,1]=4 660 B10R1.25 COc1ccc(cc1I)Cl A13840 [0,1,0,0,0,0|2,0,1]=4 661 B10R1.25 COc1ccc(cc1N)Cl A12887 [0,1,0,0,0,0|2,0,1]=4 662 B10R1.25 COc1ccc(cc1N)Cl A14244 [0,1,0,0,0,0|2,0,1]=4 663 B10R1.25 COc1ccc(cc1O)N L10234 [0,1,0,0,0,0|2,0,1]=4 664 B10R1.25 COc1ccc(cc1[Mg+])Cl H54501 [0,1,0,0,0,0|2,0,1]=4 665 B10R1.25 COc1ccc(cc1[Zn+])Cl H58435 [0,1,0,0,0,0|2,0,1]=4 666 B10R1.25 Cc1cc(ccc1C#N)Cl H55261 [0,1,0,0,0,0|3,0,0]=4 667 B10R1.25 Cc1cc(ccc1C=O)Br H61314 [0,1,0,0,0,0|2,1,0]=4 668 B10R1.25 Cc1cc(ccc1C=O)F H26266 [0,1,0,0,0,0|2,1,0]=4 669 B10R1.25 Cc1cc(ccc1CO)Cl H27554 [0,1,0,0,0,0|2,0,1]=4 670 B10R1.25 Cc1cc(ccc1OC)Cl B24261 [0,1,0,0,0,0|2,0,1]=4 671 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [0,1,0,0,0,0|3,0,0]=4 672 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [0,1,0,0,0,0|3,0,0]=4 673 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [0,1,0,0,0,0|3,0,0]=4 674 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [0,1,0,0,0,0|2,0,0]=3 675 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [0,1,0,0,0,0|2,0,1]=4 676 B10R1.25 c1c(cnc(c1Cl)C#N)Cl L19723 [0,1,0,0,0,0|2,0,1]=4 677 B10R1.25 c1c(cnc(c1I)NN)Cl H27117 [0,1,0,0,0,0|2,0,1]=4 678 B10R1.25 c1cc(c(cc1Br)Cl)C=O H27418 [0,1,0,0,0,0|2,1,0]=4 679 B10R1.25 c1cc(c(cc1Br)F)C=O A16112 [0,1,0,0,0,0|2,1,0]=4 680 B10R1.25 c1cc(c(cc1Br)O)C=O H54850 [0,1,0,0,0,0|1,1,0]=3 681 B10R1.25 c1cc(c(cc1Cl)Cl)C#N A10113 [0,1,0,0,0,0|3,0,0]=4 682 B10R1.25 c1cc(c(cc1Cl)Cl)C=O A12525 [0,1,0,0,0,0|2,0,0]=3 683 B10R1.25 c1cc(c(cc1Cl)Cl)CCl A11435 [0,1,0,0,0,0|3,0,0]=4 684 B10R1.25 c1cc(c(cc1Cl)Cl)CN A13207 [0,1,0,0,0,0|3,0,0]=4 685 B10R1.25 c1cc(c(cc1Cl)Cl)CO A13338 [0,1,0,0,0,0|2,0,1]=4 686 B10R1.25 c1cc(c(cc1Cl)Cl)CS B24999 [0,1,0,0,0,0|2,1,0]=4 687 B10R1.25 c1cc(c(cc1Cl)Cl)C[Mg+] H54159 [0,1,0,0,0,0|3,0,0]=4 688 B10R1.25 c1cc(c(cc1Cl)Cl)NN A10943 [0,1,0,0,0,0|3,0,0]=4 689 B10R1.25 c1cc(c(cc1Cl)F)C#N L20160 [0,1,0,0,0,0|3,0,0]=4 690 B10R1.25 c1cc(c(cc1Cl)F)C=O A16110 [0,1,0,0,0,0|2,0,0]=3 691 B10R1.25 c1cc(c(cc1Cl)F)CBr H26814 [0,1,0,0,0,0|3,0,0]=4 692 B10R1.25 c1cc(c(cc1Cl)F)CN H26352 [0,1,0,0,0,0|3,0,0]=4 693 B10R1.25 c1cc(c(cc1Cl)F)CN L13488 [0,1,0,0,0,0|3,0,0]=4 694 B10R1.25 c1cc(c(cc1Cl)F)C[Mg+] H54480 [0,1,0,0,0,0|3,0,0]=4 695 B10R1.25 c1cc(c(cc1Cl)N)C#N B25120 [0,1,0,0,0,0|3,0,0]=4 696 B10R1.25 c1cc(c(cc1F)Cl)C=O A15345 [0,1,0,0,0,0|2,1,0]=4 697 B10R1.25 c1cc(c(cc1F)F)C=O A17052 [0,1,0,0,0,0|2,1,0]=4 698 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [0,1,0,0,0,0|1,1,0]=3 699 B10R1.25 c1cc(c(cc1O)Cl)C=O H55771 [0,1,0,0,0,0|3,0,0]=4 700 B10R1.25 c1cc(c(cc1O)F)C=O H26218 [0,1,0,0,0,0|3,0,0]=4 701 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [0,1,0,0,0,0|2,0,0]=3 702 B10R1.30 COc1cc(ccc1Br)Cl B25512 [0,1,0,0,0,0|2,0,0]=3 703 B10R1.30 COc1cc(ccc1Br)F H26325 [0,1,0,0,0,0|2,1,0]=4 704 B10R1.30 COc1cc(ccc1Br)N B25541 [0,1,0,0,0,0|3,0,0]=4 705 B10R1.30 COc1cc(ccc1Br)O H28116 [0,1,0,0,0,0|3,0,0]=4 706 B10R1.30 COc1cc(ccc1Cl)Br H55533 [0,1,0,0,0,0|2,1,0]=4 707 B10R1.30 COc1cc(ccc1Cl)Cl L13497 [0,1,0,0,0,0|2,0,0]=3 708 B10R1.30 COc1cc(ccc1Cl)N H28331 [0,1,0,0,0,0|3,0,0]=4 709 B10R1.30 COc1cc(ccc1F)Br H61892 [0,1,0,0,0,0|2,1,0]=4 710 B10R1.30 COc1cc(ccc1F)F A14255 [0,1,0,0,0,0|2,1,0]=4 711 B10R1.30 COc1cc(ccc1N)Br H61454 [0,1,0,0,0,0|2,1,0]=4 712 B10R1.30 COc1cc(ccc1N)F H61965 [0,1,0,0,0,0|2,1,0]=4 713 B10R1.30 COc1cc(ccc1O)Br L08801 [0,1,0,0,0,0|1,1,1]=4 714 B10R1.30 COc1cc(ccc1O)Cl A14806 [0,1,0,0,0,0|1,0,1]=3 715 B10R1.30 COc1cc(ccc1O)F B22211 [0,1,0,0,0,0|1,1,1]=4 716 B10R1.30 COc1cc(ccc1O)O A12847 [0,1,0,0,0,0|2,0,1]=4 717 B10R1.30 COc1cc(cnc1Cl)N H64033 [0,1,0,0,0,0|2,0,1]=4 718 B10R1.30 COc1cc(cnc1N)Br H54723 [0,1,0,0,0,0|1,1,1]=4 719 B10R1.30 Cc1ccc(c(c1)CO)C L01624 [0,1,0,0,0,0|3,0,0]=4 720 B10R1.30 Cc1ccc(c(c1)OC)C B20456 [0,1,0,0,0,0|3,0,0]=4 721 B10R1.30 Cc1ccc(c(c1)OC)F L18182 [0,1,0,0,0,0|3,0,0]=4 722 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [0,1,0,0,0,0|2,0,1]=4 723 B10R1.30 Cc1ccc(cc1CO)F H32648 [0,1,0,0,0,0|2,1,0]=4 724 B10R1.30 Cc1ccc(cc1OC)Br H30391 [0,1,0,0,0,0|2,1,0]=4 725 B10R1.30 Cc1ccc(cc1OC)F B25629 [0,1,0,0,0,0|2,1,0]=4 726 B10R1.30 Cc1ccc(cc1OC)N H50362 [0,1,0,0,0,0|3,0,0]=4 727 B10R1.30 c1c(cnc(c1CO)N)Br H64481 [0,1,0,0,0,0|1,1,1]=4 728 B10R1.30 c1c(cnc(c1CO)N)I H50011 [0,1,0,0,0,0|1,1,1]=4 729 B10R1.30 c1cc(c(cc1Br)CO)O A12344 [0,1,0,0,0,0|1,1,1]=4 730 B10R1.30 c1cc(c(cc1Cl)C#N)Cl A14141 [0,1,0,0,0,0|3,0,0]=4 731 B10R1.30 c1cc(c(cc1Cl)C#N)F B23120 [0,1,0,0,0,0|3,0,0]=4 732 B10R1.30 c1cc(c(cc1Cl)C#N)N B22690 [0,1,0,0,0,0|3,0,0]=4 733 B10R1.30 c1cc(c(cc1Cl)C=O)Br H64330 [0,1,0,0,0,0|2,0,1]=4 734 B10R1.30 c1cc(c(cc1Cl)C=O)Cl A13525 [0,1,0,0,0,0|2,0,1]=4 735 B10R1.30 c1cc(c(cc1Cl)C=O)F H26187 [0,1,0,0,0,0|2,0,1]=4 736 B10R1.30 c1cc(c(cc1Cl)C=O)N L17515 [0,1,0,0,0,0|2,0,1]=4 737 B10R1.30 c1cc(c(cc1Cl)C=O)O A14069 [0,1,0,0,0,0|1,0,2]=4 738 B10R1.30 c1cc(c(cc1Cl)CBr)Cl L13775 [0,1,0,0,0,0|3,0,0]=4 739 B10R1.30 c1cc(c(cc1Cl)CBr)F L19147 [0,1,0,0,0,0|3,0,0]=4 740 B10R1.30 c1cc(c(cc1Cl)CCl)Cl L07506 [0,1,0,0,0,0|3,0,0]=4 741 B10R1.30 c1cc(c(cc1Cl)CN)Cl L11972 [0,1,0,0,0,0|3,0,0]=4 742 B10R1.30 c1cc(c(cc1Cl)CN)F L19145 [0,1,0,0,0,0|3,0,0]=4 743 B10R1.30 c1cc(c(cc1Cl)CO)Cl L07734 [0,1,0,0,0,0|2,0,0]=3 744 B10R1.30 c1cc(c(cc1Cl)CO)N H30531 [0,1,0,0,0,0|2,0,0]=3 745 B10R1.30 c1cc(c(cc1Cl)CO)O H32533 [0,1,0,0,0,0|1,0,1]=3 746 B10R1.30 c1cc(c(cc1Cl)C[Mg+])Cl H54707 [0,1,0,0,0,0|3,0,0]=4 747 B10R1.30 c1cc(c(cc1Cl)NN)Cl A15279 [0,1,0,0,0,0|3,0,0]=4 748 B10R1.30 c1cc(c(cc1Cl)NN)Cl L06708 [0,1,0,0,0,0|3,0,0]=4 749 B10R1.30 c1cc(c(cc1F)CO)Br H61596 [0,1,0,0,0,0|2,1,0]=4 750 B10R1.30 c1cc(c(cc1F)CO)Cl B24431 [0,1,0,0,0,0|2,1,0]=4 751 B10R1.30 c1cc(c(cc1F)CO)F A19932 [0,1,0,0,0,0|2,1,0]=4 752 B10R1.118 C1=C(C(=O)C=C(C1=O)Cl)Cl H27152 [0,1,0,0,0,0|2,0,1]=4 753 B10R1.118 C1=C(C(=O)C=C(C1=O)O)O A11442 [0,1,0,0,0,0|2,0,0]=3 754 B10R1.118 Cc1cc(c(cc1C)Cl)O L01627 [0,1,0,0,0,0|3,0,0]=4 755 B10R1.118 Cc1cc(c(cc1C)O)C H50427 [0,1,0,0,0,0|3,0,0]=4 756 B10R1.118 Cc1cc(c(cc1Cl)C)Cl B21344 [0,1,0,0,0,0|3,0,0]=4 757 B10R1.118 Cc1cc(c(cc1Cl)C)N H26018 [0,1,0,0,0,0|3,0,0]=4 758 B10R1.118 Cc1cc(c(cc1Cl)C)S B25487 [0,1,0,0,0,0|2,1,0]=4 759 B10R1.118 Cc1cc(c(cc1F)Cl)F H63542 [0,1,0,0,0,0|3,0,0]=4 760 B10R1.118 Cc1cc(c(cc1I)C)O H50565 [0,1,0,0,0,0|3,0,0]=4 761 B10R1.118 c1c(c(cc(c1Br)O)Br)O H55453 [0,1,0,0,0,0|2,1,0]=4 762 B10R1.118 c1c(c(cc(c1Cl)Cl)Br)F H59984 [0,1,0,0,0,0|3,0,0]=4 763 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)Cl A14318 [0,1,0,0,0,0|3,0,0]=4 764 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)N B21113 [0,1,0,0,0,0|3,0,0]=4 765 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)S L03324 [0,1,0,0,0,0|2,1,0]=4 766 B10R1.118 c1c(c(cc(c1Cl)Cl)F)N H59506 [0,1,0,0,0,0|3,0,0]=4 767 B10R1.118 c1c(c(cc(c1Cl)Cl)N)N A17738 [0,1,0,0,0,0|3,0,0]=4 768 B10R1.118 c1c(c(cc(c1Cl)I)Cl)Cl L06015 [0,1,0,0,0,0|3,0,0]=4 769 B10R1.118 c1c(c(cc(c1Cl)N)Cl)N B21494 [0,1,0,0,0,0|3,0,0]=4 770 B10R1.118 c1c(c(cc(c1Cl)O)Cl)O B21285 [0,1,0,0,0,0|2,0,0]=3 771 B10R1.118 c1c(c(cc(c1F)Br)F)O H26212 [0,1,0,0,0,0|2,1,0]=4 772 B10R1.118 c1c(c(cc(c1F)Cl)N)N A13953 [0,1,0,0,0,0|3,0,0]=4 773 B10R1.118 c1c(c(cc(c1F)F)Br)O L16716 [0,1,0,0,0,0|2,1,0]=4 774 B10R1.118 c1c(c(cc(c1F)F)Cl)N H32239 [0,1,0,0,0,0|3,0,0]=4 775 B10R1.118 c1c(c(cc(c1F)F)F)O B20395 [0,1,0,0,0,0|2,1,0]=4 776 B10R1.118 c1c(c(cc(c1O)Cl)Cl)N H66753 [0,1,0,0,0,0|2,0,1]=4 777 B10R1.118 c1c(c(cc(c1O)Cl)Cl)O B20500 [0,1,0,0,0,0|2,0,1]=4 778 B10R1.118 c1c(c(cc(c1O)F)F)N H32479 [0,1,0,0,0,0|3,0,0]=4 779 B10R1.118 c1c(c(cc(c1O)N)O)N B21969 [0,1,0,0,0,0|3,0,0]=4 780 B10R1.118 c1c(c(nc(c1Cl)Cl)Cl)Cl L19458 [0,1,0,0,0,0|2,0,1]=4 781 B10R1.118 c1c(c(nc(c1Cl)F)F)F L19543 [0,1,0,0,0,0|2,0,1]=4 782 B10R1.118 c1c(c(nc(c1Cl)F)N)Cl H34449 [0,1,0,0,0,0|2,0,1]=4 783 B10R1.119 Cc1ccc(c(c1C)O)C H60489 [0,1,0,0,0,0|3,0,0]=4 784 B10R1.119 Cc1ccc(c(c1Cl)O)F H26721 [0,1,0,0,0,0|3,0,0]=4 785 B10R1.119 Cc1ccc(c(c1F)N)Cl H26757 [0,1,0,0,0,0|3,0,0]=4 786 B10R1.119 Cc1ccc(c(c1F)O)Cl B23113 [0,1,0,0,0,0|3,0,0]=4 787 B10R1.119 Cc1ccc(c(c1F)O)F B24082 [0,1,0,0,0,0|3,0,0]=4 788 B10R1.119 Cc1ccc(c(c1N)C)Cl B21851 [0,1,0,0,0,0|3,0,0]=4 789 B10R1.119 Cc1ccc(c(c1N)C)Cl B22232 [0,1,0,0,0,0|3,0,0]=4 790 B10R1.119 Cc1cnc(c(c1C)O)C H52357 [0,1,0,0,0,0|2,0,1]=4 791 B10R1.119 c1cc(c(c(c1Cl)N)F)Cl H32333 [0,1,0,0,0,0|3,0,0]=4 792 B10R1.119 c1cc(c(c(c1Cl)O)F)Cl H32964 [0,1,0,0,0,0|2,0,0]=3 793 B10R1.119 c1cc(c(c(c1F)F)F)Cl B23060 [0,1,0,0,0,0|3,0,0]=4 794 B10R1.119 c1cc(c(c(c1F)F)N)Cl H33705 [0,1,0,0,0,0|3,0,0]=4 795 B10R1.119 c1cc(c(c(c1F)F)O)Cl H33871 [0,1,0,0,0,0|2,1,0]=4 796 B10R1.119 c1cc(c(c(c1F)N)Cl)Cl H31673 [0,1,0,0,0,0|3,0,0]=4 797 B10R1.119 c1cc(c(c(c1F)N)F)Cl H26565 [0,1,0,0,0,0|3,0,0]=4 798 B10R1.119 c1cc(c(c(c1F)O)Cl)Cl H26776 [0,1,0,0,0,0|2,0,0]=3 799 B10R1.119 c1cc(c(c(c1F)O)Cl)F B22795 [0,1,0,0,0,0|2,1,0]=4 800 B10R1.119 c1cc(c(c(c1F)O)F)Cl B22790 [0,1,0,0,0,0|2,0,0]=3 801 B10R1.119 c1cc(c(c(c1F)O)F)F B20379 [0,1,0,0,0,0|2,1,0]=4 802 B10R1.119 c1cc(c(c(c1N)O)F)F H63249 [0,1,0,0,0,0|2,1,0]=4 803 B10R1.176 CCc1ccc(c(c1)O)O A12048 [0,1,0,0,0,0|2,0,1]=4 804 B10R1.176 c1cc(c(cc1C#N)O)O A14783 [0,1,0,0,0,0|2,0,1]=4 805 B10R1.176 c1cc(c(cc1C=O)O)O A11558 [0,1,0,0,0,0|2,0,1]=4 806 B10R1.176 c1cc(c(cc1CCl)Cl)Cl A17672 [0,1,0,0,0,0|3,0,0]=4 807 B10R1.176 c1cc(c(cc1CCl)F)F B20367 [0,1,0,0,0,0|3,0,0]=4 808 B10R1.176 c1cc(c(cc1CN)O)O B21833 [0,1,0,0,0,0|2,0,1]=4 809 B10R1.176 c1cc(c(cc1CO)O)Br H66253 [0,1,0,0,0,0|3,0,0]=4 810 B8R1.18 CC1=CC(=O)OC1=O L05238 [0,0,0,0,1,0|3,0,0]=4 811 B8R1.18 Cc1cc(sc1Cl)Cl H27129 [0,0,0,0,1,0|3,0,0]=4 812 B8R1.18 c1c(c(sc1Cl)Cl)Br A10603 [0,0,0,0,1,0|3,0,0]=4 813 B8R1.18 c1c(c(sc1Cl)Cl)Cl L17207 [0,0,0,0,1,0|3,0,0]=4 814 B7R0.5 CC(=C)C(=O)OC=C L09584 [1,0,1,0,0,0|2,0,0]=4 815 B7R0.6 C(=C\C(=O)Cl)/C(=O)Cl A14540 [1,0,1,0,0,0|2,0,0]=4 816 B7R0.6 C(=C\C(=O)N)/C(=O)N B25200 [1,0,1,0,0,0|2,0,0]=4 817 B7R1.3 Cc1ccccc1 16371 [2,0,0,0,0,0|2,0,0]=4 818 B7R1.3 Cc1ccccc1 19376 [2,0,0,0,0,0|2,0,0]=4 819 B7R1.3 Cc1ccccc1 19399 [2,0,0,0,0,0|2,0,0]=4 820 B7R1.3 Cc1ccccc1 19402 [2,0,0,0,0,0|2,0,0]=4 821 B7R1.3 Cc1ccccc1 22903 [2,0,0,0,0,0|2,0,0]=4 822 B7R1.3 Cc1ccccc1 31755 [2,0,0,0,0,0|2,0,0]=4 823 B7R1.3 Cc1ccccc1 41464 [2,0,0,0,0,0|2,0,0]=4 824 B7R1.3 Cc1ccccc1 41841 [2,0,0,0,0,0|2,0,0]=4 825 B7R1.3 Cc1ccccc1 43061 [2,0,0,0,0,0|2,0,0]=4 826 B7R1.3 Cc1ccccc1 47136 [2,0,0,0,0,0|2,0,0]=4 827 B7R1.3 Cc1ccccc1 L10967 [2,0,0,0,0,0|2,0,0]=4 828 B7R1.3 Cc1ccccc1 L13317 [2,0,0,0,0,0|2,0,0]=4 829 B7R1.3 Cc1ccccn1 A10847 [2,0,0,0,0,0|1,0,1]=4 830 B7R1.3 Cc1cccnc1 A14012 [2,0,0,0,0,0|1,0,1]=4 831 B7R1.3 [Li]c1ccccc1 45770 [2,0,0,0,0,0|2,0,0]=4 832 B7R1.3 [Li]c1ccccc1 47286 [2,0,0,0,0,0|2,0,0]=4 833 B7R1.3 c1c[nH]cnc1=O H64690 [2,0,0,0,0,0|1,0,1]=4 834 B7R1.3 c1cc(=O)[nH]nc1 H55334 [2,0,0,0,0,0|1,0,0]=3 835 B7R1.3 c1cc(cnc1)Br A12894 [2,0,0,0,0,0|0,1,1]=4 836 B7R1.3 c1cc(cnc1)Cl B24316 [2,0,0,0,0,0|0,0,1]=3 837 B7R1.3 c1cc(cnc1)F A11693 [2,0,0,0,0,0|0,1,1]=4 838 B7R1.3 c1cc(cnc1)I B23225 [2,0,0,0,0,0|0,1,1]=4 839 B7R1.3 c1cc(cnc1)N A13216 [2,0,0,0,0,0|1,0,1]=4 840 B7R1.3 c1cc(cnc1)O A13910 [2,0,0,0,0,0|0,0,1]=3 841 B7R1.3 c1cc(cnc1)[Zn+] H58498 [2,0,0,0,0,0|1,0,1]=4 842 B7R1.3 c1ccc(cc1)Br A11407 [2,0,0,0,0,0|1,1,0]=4 843 B7R1.3 c1ccc(cc1)Cl 22921 [2,0,0,0,0,0|1,0,0]=3 844 B7R1.3 c1ccc(cc1)Cl 22922 [2,0,0,0,0,0|1,0,0]=3 845 B7R1.3 c1ccc(cc1)Cl 36401 [2,0,0,0,0,0|1,0,0]=3 846 B7R1.3 c1ccc(cc1)Cl B21052 [2,0,0,0,0,0|1,0,0]=3 847 B7R1.3 c1ccc(cc1)Cl H27688 [2,0,0,0,0,0|1,0,0]=3 848 B7R1.3 c1ccc(cc1)F A14384 [2,0,0,0,0,0|1,1,0]=4 849 B7R1.3 c1ccc(cc1)I A12788 [2,0,0,0,0,0|1,1,0]=4 850 B7R1.3 c1ccc(cc1)N 36238 [2,0,0,0,0,0|2,0,0]=4 851 B7R1.3 c1ccc(cc1)N A13024 [2,0,0,0,0,0|2,0,0]=4 852 B7R1.3 c1ccc(cc1)N A14443 [2,0,0,0,0,0|2,0,0]=4 853 B7R1.3 c1ccc(cc1)N A15563 [2,0,0,0,0,0|2,0,0]=4 854 B7R1.3 c1ccc(cc1)O 33213 [2,0,0,0,0,0|1,0,0]=3 855 B7R1.3 c1ccc(cc1)O 44526 [2,0,0,0,0,0|1,0,0]=3 856 B7R1.3 c1ccc(cc1)O A15760 [2,0,0,0,0,0|1,0,0]=3 857 B7R1.3 c1ccc(cc1)O L19594 [2,0,0,0,0,0|1,0,0]=3 858 B7R1.3 c1ccc(cc1)P 30155 [2,0,0,0,0,0|2,0,0]=4 859 B7R1.3 c1ccc(cc1)S A15916 [2,0,0,0,0,0|1,1,0]=4 860 B7R1.3 c1ccc(cc1)[Hg+] 37113 [2,0,0,0,0,0|2,0,0]=4 861 B7R1.3 c1ccc(cc1)[Hg+] 37125 [2,0,0,0,0,0|2,0,0]=4 862 B7R1.3 c1ccc(cc1)[Mg+] 42859 [2,0,0,0,0,0|2,0,0]=4 863 B7R1.3 c1ccc(cc1)[Mg+] 87326 [2,0,0,0,0,0|2,0,0]=4 864 B7R1.3 c1ccc(cc1)[Mg+] H51157 [2,0,0,0,0,0|2,0,0]=4 865 B7R1.3 c1ccc(cc1)[Mg+] H54729 [2,0,0,0,0,0|2,0,0]=4 866 B7R1.3 c1ccc(cc1)[O-] 51120 [2,0,0,0,0,0|1,0,1]=4 867 B7R1.3 c1ccc(cc1)[O-] B25002 [2,0,0,0,0,0|1,0,1]=4 868 B7R1.3 c1ccc(cc1)[SeH] A12876 [2,0,0,0,0,0|1,1,0]=4 869 B7R1.3 c1ccc(cc1)[SiH3] A17901 [2,0,0,0,0,0|2,0,0]=4 870 B7R1.3 c1ccc(cc1)[Sn+3] 71157 [2,0,0,0,0,0|2,0,0]=4 871 B7R1.3 c1ccc(cc1)[Zn+] H58343 [2,0,0,0,0,0|2,0,0]=4 872 B7R1.3 c1ccc(cc1)[Zn+] H58659 [2,0,0,0,0,0|2,0,0]=4 873 B7R1.3 c1ccnc(c1)Br A13241 [2,0,0,0,0,0|1,0,1]=4 874 B7R1.3 c1ccnc(c1)Cl A14866 [2,0,0,0,0,0|1,0,1]=4 875 B7R1.3 c1ccnc(c1)F A11627 [2,0,0,0,0,0|1,0,1]=4 876 B7R1.3 c1ccnc(c1)I H63062 [2,0,0,0,0,0|1,0,1]=4 877 B7R1.3 c1ccnc(c1)N A12374 [2,0,0,0,0,0|1,0,1]=4 878 B7R1.3 c1ccnc(c1)O A14522 [2,0,0,0,0,0|0,0,2]=4 879 B7R1.3 c1ccnc(c1)S A11741 [2,0,0,0,0,0|0,1,1]=4 880 B7R1.3 c1ccnc(c1)[Zn+] H58544 [2,0,0,0,0,0|1,0,1]=4 881 B7R1.3 c1cnc(cn1)Cl A10108 [2,0,0,0,0,0|1,0,1]=4 882 B7R1.3 c1cnc[nH]c1=O A10859 [2,0,0,0,0,0|1,0,0]=3 883 B7R1.3 c1cnccc1Cl A15628 [2,0,0,0,0,0|2,0,0]=4 884 B7R1.3 c1cnccc1O A14586 [2,0,0,0,0,0|2,0,0]=4 885 B9R1.1 C#Cc1ccc(cc1)Cl H51058 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.1 CCc1ccc(cc1)Cl L07931 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.1 CNc1ccc(cc1)Cl B23962 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.1 COc1ccc(cc1)Cl A11377 [1,1,0,0,0,0|1,0,1]=4 890 B9R1.1 COc1ccc(cn1)Cl H59376 [1,1,0,0,0,0|0,0,2]=4 891 B9R1.1 CSc1ccc(cc1)Cl A11025 [1,1,0,0,0,0|1,1,0]=4 892 B9R1.1 Cc1ccc(cc1)C=O A11384 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.1 Cc1ccc(cc1)CCl A17183 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.1 c1cc(ccc1C#N)Cl A14524 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.1 c1cc(ccc1C=O)Br A14237 [1,1,0,0,0,0|1,1,0]=4 896 B9R1.1 c1cc(ccc1C=O)Cl A12757 [1,1,0,0,0,0|1,0,0]=3 897 B9R1.1 c1cc(ccc1C=O)F A15383 [1,1,0,0,0,0|1,1,0]=4 898 B9R1.1 c1cc(ccc1C=O)I L17448 [1,1,0,0,0,0|1,1,0]=4 899 B9R1.1 c1cc(ccc1C=O)O A13580 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.1 c1cc(ccc1CBr)Cl B22858 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.1 c1cc(ccc1CCl)Br L11486 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.1 c1cc(ccc1CCl)Cl A14696 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.1 c1cc(ccc1CCl)F A14686 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.1 c1cc(ccc1CN)Cl A13984 [1,1,0,0,0,0|2,0,0]=4 905 B9R1.1 c1cc(ccc1CO)Cl A11504 [1,1,0,0,0,0|1,0,1]=4 906 B9R1.1 c1cc(ccc1CS)Cl A19876 [1,1,0,0,0,0|1,1,0]=4 907 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [1,1,0,0,0,0|2,0,0]=4 908 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [1,1,0,0,0,0|2,0,0]=4 909 B9R1.1 c1cc(ccc1NN)Cl A14518 [1,1,0,0,0,0|2,0,0]=4 910 B9R1.1 c1cc(ncc1Br)C=O H50154 [1,1,0,0,0,0|0,1,1]=4 911 B9R1.1 c1cc(ncc1C=O)Cl H55550 [1,1,0,0,0,0|2,0,0]=4 912 B9R1.1 c1cc(ncc1CCl)Cl L19284 [1,1,0,0,0,0|1,0,1]=4 913 B9R1.1 c1cc(ncc1Cl)C#N H64846 [1,1,0,0,0,0|1,0,1]=4 914 B9R1.2 C#Cc1cccc(c1)O L11523 [1,1,0,0,0,0|2,0,0]=4 915 B9R1.2 C=Cc1cccc(c1)Cl B23806 [1,1,0,0,0,0|2,0,0]=4 916 B9R1.2 CCc1cccc(c1)O B23470 [1,1,0,0,0,0|2,0,0]=4 917 B9R1.2 CNc1cccc(c1)Cl A12418 [1,1,0,0,0,0|2,0,0]=4 918 B9R1.2 COc1cc(cnc1)Br H27728 [1,1,0,0,0,0|0,1,1]=4 919 B9R1.2 COc1cccc(c1)Br A15625 [1,1,0,0,0,0|1,1,0]=4 920 B9R1.2 COc1cccc(c1)Cl A17327 [1,1,0,0,0,0|1,0,0]=3 921 B9R1.2 COc1cccc(c1)F A10931 [1,1,0,0,0,0|1,1,0]=4 922 B9R1.2 COc1cccc(c1)I A14208 [1,1,0,0,0,0|1,1,0]=4 923 B9R1.2 COc1cccc(c1)N A10815 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.2 COc1cccc(c1)O A12826 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.2 COc1cccc(c1)S A10648 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.2 COc1cccc(c1)[Mg+] H54780 [1,1,0,0,0,0|2,0,0]=4 927 B9R1.2 COc1cccc(c1)[Zn+] H58982 [1,1,0,0,0,0|2,0,0]=4 928 B9R1.2 COc1cccc(n1)Cl L05997 [1,1,0,0,0,0|2,0,0]=4 929 B9R1.2 COc1ccnc(c1)Cl L17697 [1,1,0,0,0,0|2,0,0]=4 930 B9R1.2 CSc1cccc(c1)Cl L11346 [1,1,0,0,0,0|1,1,0]=4 931 B9R1.2 Cc1cccc(c1)CCl A10784 [1,1,0,0,0,0|2,0,0]=4 932 B9R1.2 Cc1cccc(c1)CO B20875 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.2 Cc1cccc(c1)OC B21455 [1,1,0,0,0,0|2,0,0]=4 934 B9R1.2 c1c(cncc1Br)CCl H66131 [1,1,0,0,0,0|1,0,1]=4 935 B9R1.2 c1c(cncc1Br)CO H52339 [1,1,0,0,0,0|0,1,1]=4 936 B9R1.2 c1c(cncc1O)C#N H33006 [1,1,0,0,0,0|1,0,1]=4 937 B9R1.2 c1cc(cc(c1)Br)CCl L12458 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.2 c1cc(cc(c1)Br)CO A10929 [1,1,0,0,0,0|1,1,0]=4 939 B9R1.2 c1cc(cc(c1)Cl)C#N A13237 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.2 c1cc(cc(c1)Cl)C=O A13254 [1,1,0,0,0,0|1,0,1]=4 941 B9R1.2 c1cc(cc(c1)Cl)CBr A15844 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.2 c1cc(cc(c1)Cl)CCl A11041 [1,1,0,0,0,0|2,0,0]=4 943 B9R1.2 c1cc(cc(c1)Cl)CN A14078 [1,1,0,0,0,0|2,0,0]=4 944 B9R1.2 c1cc(cc(c1)Cl)CO A11841 [1,1,0,0,0,0|1,0,0]=3 945 B9R1.2 c1cc(cc(c1)Cl)C[Mg+] H54237 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.2 c1cc(cc(c1)Cl)C[Zn+] H58753 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.2 c1cc(cc(c1)Cl)NN A14770 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.2 c1cc(cc(c1)F)CCl A12665 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.2 c1cc(cc(c1)F)CO A12509 [1,1,0,0,0,0|1,1,0]=4 950 B9R1.2 c1cc(cc(c1)I)CO L05309 [1,1,0,0,0,0|1,1,0]=4 951 B9R1.2 c1cc(cc(c1)N)CO L07847 [1,1,0,0,0,0|2,0,0]=4 952 B9R1.2 c1cc(cc(c1)O)C#N B21702 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.2 c1cc(cc(c1)O)C=O A13541 [1,1,0,0,0,0|2,0,0]=4 954 B9R1.2 c1cc(cc(c1)O)CN H35708 [1,1,0,0,0,0|2,0,0]=4 955 B9R1.2 c1cc(cc(c1)O)CO A15981 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.2 c1cnc(cc1CO)Cl H50099 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.3 Cc1c(cccc1Br)Cl B25697 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.3 Cc1c(cccc1Cl)Cl B24463 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.3 Cc1c(cccc1Cl)F A15650 [1,1,0,0,0,0|2,0,0]=4 960 B9R1.3 Cc1c(cccc1Cl)N A18221 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.3 Cc1c(cccc1Cl)[Mg+] H54246 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.3 Cc1c(cccc1I)Cl A11582 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.3 Cc1c(cccc1O)N H66554 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.3 Cc1c(cccc1O)O A11821 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.3 Cc1cccc(c1C)Cl B21505 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.3 Cc1cccc(c1C)O B22860 [1,1,0,0,0,0|2,0,0]=4 967 B9R1.3 Cc1cccc(c1Cl)Cl A11206 [1,1,0,0,0,0|2,0,0]=4 968 B9R1.3 Cc1cccc(c1I)Cl L06824 [1,1,0,0,0,0|2,0,0]=4 969 B9R1.3 Cc1cccc(c1N)Cl L02629 [1,1,0,0,0,0|2,0,0]=4 970 B9R1.3 Cc1cccc(c1O)Cl L03617 [1,1,0,0,0,0|2,0,0]=4 971 B9R1.3 Cc1cccc(c1O)O A12324 [1,1,0,0,0,0|2,0,0]=4 972 B9R1.3 Cc1cccc(c1S)Cl L10499 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.3 c1c(c(c(cn1)Cl)Br)Cl H64616 [1,1,0,0,0,0|1,0,1]=4 974 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl A12587 [1,1,0,0,0,0|1,0,1]=4 975 B9R1.3 c1c(c(c(cn1)Cl)N)Cl B24725 [1,1,0,0,0,0|1,0,1]=4 976 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl B21904 [1,1,0,0,0,0|2,0,0]=4 977 B9R1.3 c1cc(c(c(c1)Br)F)Cl H61622 [1,1,0,0,0,0|2,0,0]=4 978 B9R1.3 c1cc(c(c(c1)Br)I)Cl H66020 [1,1,0,0,0,0|2,0,0]=4 979 B9R1.3 c1cc(c(c(c1)Br)O)O H26925 [1,1,0,0,0,0|1,1,0]=4 980 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl L11062 [1,1,0,0,0,0|2,0,0]=4 981 B9R1.3 c1cc(c(c(c1)Cl)Cl)Cl B22154 [1,1,0,0,0,0|2,0,0]=4 982 B9R1.3 c1cc(c(c(c1)Cl)Cl)N A11524 [1,1,0,0,0,0|2,0,0]=4 983 B9R1.3 c1cc(c(c(c1)Cl)Cl)O B22943 [1,1,0,0,0,0|1,0,0]=3 984 B9R1.3 c1cc(c(c(c1)Cl)Cl)S A15491 [1,1,0,0,0,0|1,1,0]=4 985 B9R1.3 c1cc(c(c(c1)Cl)F)Cl B21526 [1,1,0,0,0,0|2,0,0]=4 986 B9R1.3 c1cc(c(c(c1)Cl)F)N H51144 [1,1,0,0,0,0|2,0,0]=4 987 B9R1.3 c1cc(c(c(c1)Cl)F)O H26725 [1,1,0,0,0,0|1,0,0]=3 988 B9R1.3 c1cc(c(c(c1)Cl)I)Cl H55365 [1,1,0,0,0,0|2,0,0]=4 989 B9R1.3 c1cc(c(c(c1)Cl)N)Cl A12320 [1,1,0,0,0,0|2,0,0]=4 990 B9R1.3 c1cc(c(c(c1)Cl)N)F A15848 [1,1,0,0,0,0|2,0,0]=4 991 B9R1.3 c1cc(c(c(c1)Cl)O)Cl A14411 [1,1,0,0,0,0|2,0,0]=4 992 B9R1.3 c1cc(c(c(c1)Cl)O)F B23303 [1,1,0,0,0,0|2,0,0]=4 993 B9R1.3 c1cc(c(c(c1)Cl)S)Cl A12854 [1,1,0,0,0,0|2,0,0]=4 994 B9R1.3 c1cc(c(c(c1)F)F)O A16971 [1,1,0,0,0,0|1,1,0]=4 995 B9R1.3 c1cc(c(c(c1)F)O)O B22145 [1,1,0,0,0,0|1,1,0]=4 996 B9R1.3 c1cc(c(c(c1)I)Cl)Cl A11647 [1,1,0,0,0,0|2,0,0]=4 997 B9R1.3 c1cc(c(c(c1)O)I)O H35941 [1,1,0,0,0,0|2,0,0]=4 998 B9R1.3 c1cc(c(c(c1)O)O)O 44152 [1,1,0,0,0,0|2,0,0]=4 999 B9R1.3 c1cc(c(c(c1)O)O)O A13405 [1,1,0,0,0,0|2,0,0]=4 1000 B9R1.3 c1cc(c(c(c1)[Zn+])Cl)Cl H58555 [1,1,0,0,0,0|2,0,0]=4 1001 B9R1.34 Cc1cc(cc(c1)Cl)N H66518 [1,1,0,0,0,0|2,0,0]=4 1002 B9R1.34 Cc1cc(cc(c1)F)O H26630 [1,1,0,0,0,0|1,1,0]=4 1003 B9R1.34 Cc1cc(cc(c1)O)C A12236 [1,1,0,0,0,0|2,0,0]=4 1004 B9R1.34 Cc1cc(cc(c1)O)O A10440 [1,1,0,0,0,0|2,0,0]=4 1005 B9R1.34 Cc1cc(cc(c1)O)O L18567 [1,1,0,0,0,0|2,0,0]=4 1006 B9R1.34 c1c(cc(cc1Br)Br)Cl B25411 [1,1,0,0,0,0|2,0,0]=4 1007 B9R1.34 c1c(cc(cc1Br)Br)O H60642 [1,1,0,0,0,0|1,1,0]=4 1008 B9R1.34 c1c(cc(cc1Cl)Br)Cl B25492 [1,1,0,0,0,0|2,0,0]=4 1009 B9R1.34 c1c(cc(cc1Cl)Br)F A16597 [1,1,0,0,0,0|2,0,0]=4 1010 B9R1.34 c1c(cc(cc1Cl)Br)O H64844 [1,1,0,0,0,0|1,0,0]=3 1011 B9R1.34 c1c(cc(cc1Cl)Cl)Cl L02132 [1,1,0,0,0,0|2,0,0]=4 1012 B9R1.34 c1c(cc(cc1Cl)Cl)N A13922 [1,1,0,0,0,0|2,0,0]=4 1013 B9R1.34 c1c(cc(cc1Cl)Cl)O A15328 [1,1,0,0,0,0|1,0,0]=3 1014 B9R1.34 c1c(cc(cc1Cl)Cl)S L10697 [1,1,0,0,0,0|1,1,0]=4 1015 B9R1.34 c1c(cc(cc1Cl)Cl)[Mg+] H54955 [1,1,0,0,0,0|2,0,0]=4 1016 B9R1.34 c1c(cc(cc1Cl)I)Cl A13192 [1,1,0,0,0,0|2,0,0]=4 1017 B9R1.34 c1c(cc(cc1Cl)[Zn+])Cl H58050 [1,1,0,0,0,0|2,0,0]=4 1018 B9R1.34 c1c(cc(cc1F)Br)O H55288 [1,1,0,0,0,0|1,1,0]=4 1019 B9R1.34 c1c(cc(cc1F)Cl)F L10772 [1,1,0,0,0,0|2,0,0]=4 1020 B9R1.34 c1c(cc(cc1F)Cl)N H26338 [1,1,0,0,0,0|2,0,0]=4 1021 B9R1.34 c1c(cc(cc1F)Cl)O H26195 [1,1,0,0,0,0|1,0,0]=3 1022 B9R1.34 c1c(cc(cc1F)F)O A15177 [1,1,0,0,0,0|1,1,0]=4 1023 B9R1.34 c1c(cc(cc1N)Cl)N L06485 [1,1,0,0,0,0|2,0,0]=4 1024 B9R1.34 c1c(cc(cc1O)O)O A13034 [1,1,0,0,0,0|2,0,0]=4 1025 B9R1.34 c1c(cc(cc1O)O)O B25502 [1,1,0,0,0,0|2,0,0]=4 1026 B9R1.34 c1c(cc(cc1[Mg+])Cl)F H54775 [1,1,0,0,0,0|2,0,0]=4 1027 B9R1.15 CCc1ccccc1O L01637 [1,1,0,0,0,0|2,0,0]=4 1028 B9R1.15 COc1ccc[nH]c1=O L07080 [1,1,0,0,0,0|0,0,0]=2 1029 B9R1.15 COc1ccccc1Br A11692 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.15 COc1ccccc1Cl L06952 [1,1,0,0,0,0|2,0,0]=4 1031 B9R1.15 COc1ccccc1F A12380 [1,1,0,0,0,0|2,0,0]=4 1032 B9R1.15 COc1ccccc1I A10150 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.15 COc1ccccc1N A10288 [1,1,0,0,0,0|2,0,0]=4 1034 B9R1.15 COc1ccccc1O A16319 [1,1,0,0,0,0|1,0,1]=4 1035 B9R1.15 COc1ccccc1S L09689 [1,1,0,0,0,0|1,1,0]=4 1036 B9R1.15 COc1ccccc1[Mg+] H54579 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.15 COc1ccccc1[Zn+] H58341 [1,1,0,0,0,0|2,0,0]=4 1038 B9R1.15 COc1cccnc1Cl L17696 [1,1,0,0,0,0|1,0,1]=4 1039 B9R1.15 COc1cccnc1I L19868 [1,1,0,0,0,0|1,0,1]=4 1040 B9R1.15 CSc1ccccc1O L10128 [1,1,0,0,0,0|1,1,0]=4 1041 B9R1.15 Cc1ccccc1C=O A10172 [1,1,0,0,0,0|2,0,0]=4 1042 B9R1.15 Cc1ccccc1CO A12696 [1,1,0,0,0,0|2,0,0]=4 1043 B9R1.15 Cc1ccccc1OC A13897 [1,1,0,0,0,0|2,0,0]=4 1044 B9R1.15 Cc1cccnc1C=O H56168 [1,1,0,0,0,0|1,0,1]=4 1045 B9R1.15 c1cc(c(=O)[nH]c1)C#N H64254 [1,1,0,0,0,0|1,0,0]=3 1046 B9R1.15 c1cc(c(nc1)Br)CO H52318 [1,1,0,0,0,0|1,0,1]=4 1047 B9R1.15 c1cc(c(nc1)C=O)F H61902 [1,1,0,0,0,0|1,0,1]=4 1048 B9R1.15 c1cc(c(nc1)CBr)O L19525 [1,1,0,0,0,0|1,0,1]=4 1049 B9R1.15 c1cc(c(nc1)Cl)CO H63341 [1,1,0,0,0,0|1,0,1]=4 1050 B9R1.15 c1cc(c(nc1)N)CO H50010 [1,1,0,0,0,0|1,0,1]=4 1051 B9R1.15 c1ccc(c(c1)C#N)O A13606 [1,1,0,0,0,0|2,0,0]=4 1052 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [1,1,0,0,0,0|2,0,0]=4 1053 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [1,1,0,0,0,0|2,0,0]=4 1054 B9R1.15 c1ccc(c(c1)C=O)F A13800 [1,1,0,0,0,0|2,0,0]=4 1055 B9R1.15 c1ccc(c(c1)C=O)I L17446 [1,1,0,0,0,0|2,0,0]=4 1056 B9R1.15 c1ccc(c(c1)C=O)O A13833 [1,1,0,0,0,0|1,0,0]=3 1057 B9R1.15 c1ccc(c(c1)CO)Br A15700 [1,1,0,0,0,0|2,0,0]=4 1058 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [1,1,0,0,0,0|2,0,0]=4 1059 B9R1.15 c1ccc(c(c1)CO)F A14791 [1,1,0,0,0,0|2,0,0]=4 1060 B9R1.15 c1ccc(c(c1)CO)I L15126 [1,1,0,0,0,0|2,0,0]=4 1061 B9R1.15 c1ccc(c(c1)CO)N A13180 [1,1,0,0,0,0|2,0,0]=4 1062 B9R1.15 c1ccc(c(c1)CO)O A14410 [1,1,0,0,0,0|1,0,1]=4 1063 B9R1.15 c1ccc(c(c1)CO)S L11536 [1,1,0,0,0,0|1,1,0]=4 1064 B9R1.22 Cc1cc([nH]c1C=O)C H50478 [0,1,0,0,1,0|2,0,0]=4 1065 B11R1.8 c1c(cc(c(c1CO)O)Br)Cl H34376 [0,2,0,0,0,0|1,0,1]=4 1066 B11R1.464 c1c(cc(c(c1F)C=O)F)Cl H26455 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.464 c1c(cc(c(c1O)C=O)Cl)Cl H29204 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.464 c1c(cc(c(c1O)C=O)O)O A19678 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.37 COc1cc(ccc1C=O)Br H55545 [0,2,0,0,0,0|1,1,0]=4 1070 B11R1.37 COc1cc(ccc1C=O)F H26091 [0,2,0,0,0,0|1,1,0]=4 1071 B11R1.37 COc1cc(ccc1C=O)O A11127 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.37 COc1cc(ccc1CO)Cl H27562 [0,2,0,0,0,0|1,0,1]=4 1073 B11R1.81 Cc1cc(ccc1N=C=O)Cl L10470 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.81 c1cc(c(cc1Cl)Cl)N=C=O L11089 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,2,0,0,0,0|1,1,0]=4 1077 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,2,0,0,0,0|1,1,0]=4 1079 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl H53471 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,2,0,0,0,0|2,0,0]=4 1083 B11R1.166 Cc1ccc(c(c1)O)[N+](=O)[O-] A11729 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.166 c1c(cnc(c1Cl)C(=O)N)Cl H66981 [0,2,0,0,0,0|1,0,1]=4 1085 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] H64966 [0,2,0,0,0,0|1,1,0]=4 1086 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl B20815 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N A15915 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.166 c1cc(c(cc1Cl)Cl)[N+](=O)[O-] B23749 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] A11241 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,2,0,0,0,0|1,1,0]=4 1096 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] A12568 [0,2,0,0,0,0|1,1,0]=4 1097 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.277 c1c(c(cc(c1F)Cl)F)C=O H64112 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.277 c1c(c(cc(c1F)F)O)C=O H32680 [0,2,0,0,0,0|1,1,0]=4 1101 B11R1.277 c1c(c(cc(c1O)O)O)C=O A13283 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.278 c1cc(c(c(c1C=O)O)O)O A13745 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.279 COc1ccc(c(c1)O)C=O A12971 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.72 COc1c(ccc(c1Cl)Cl)F H32016 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.72 COc1c(ccc(c1F)Cl)F H26350 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.72 c1cc(c(c(c1Cl)CO)F)Cl H32057 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.72 c1cc(c(c(c1F)CO)F)Cl B23498 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.167 B(c1cc(ccc1C)Cl)(O)O H52994 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.167 B(c1cc(ccc1Cl)Cl)(O)O B22984 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.167 B(c1cc(ccc1F)Cl)(O)O H53108 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.167 B(c1cc(ccc1O)Cl)(O)O H53075 [0,2,0,0,0,0|1,0,1]=4 1112 B11R1.167 B(c1cc(cnc1Cl)Cl)(O)O H27849 [0,2,0,0,0,0|1,0,1]=4 1113 B11R1.167 B(c1cc(cnc1F)Cl)(O)O H53341 [0,2,0,0,0,0|1,0,1]=4 1114 B11R1.167 CC(c1cc(ccc1F)Cl)O H31600 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.167 Cc1ccc(cc1C(=O)O)Cl H60649 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl H64998 [0,2,0,0,0,0|1,0,1]=4 1117 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl B20706 [0,2,0,0,0,0|0,0,2]=4 1118 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br A10103 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl A16108 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F B23776 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N A14329 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O B23984 [0,2,0,0,0,0|1,0,1]=4 1123 B9R1.5 c1ccc(c(=O)cc1)O A11299 [0,0,1,1,0,0|2,0,0]=4 1124 B9R1.11 c1cc(oc1)C(=O)NN A13630 [0,0,1,1,0,0|2,0,0]=4 1125 B11R2.36 c1cc2c(cc1Cl)OCO2 B22534 [0,1,0,1,0,0|1,0,1]=4 1126 B7R1.2 C1=CC(=O)NC1=O A13135 [1,0,0,0,1,0|1,0,0]=3 1127 B7R1.2 C1=CC(=O)OC1=O A12178 [1,0,0,0,1,0|2,0,0]=4 1128 B7R1.2 C1=CC(=O)OC1=O H66064 [1,0,0,0,1,0|2,0,0]=4 1129 B7R1.2 Cc1ccc(s1)Cl B21657 [1,0,0,0,1,0|2,0,0]=4 1130 B7R1.2 c1cc(sc1Cl)Br A16682 [1,0,0,0,1,0|2,0,0]=4 1131 B7R1.2 c1cc(sc1Cl)Cl A13839 [1,0,0,0,1,0|2,0,0]=4 1132 B7R1.2 c1cc(sc1Cl)[Zn+] H58674 [1,0,0,0,1,0|2,0,0]=4