0 B7R1.1 C#Cc1ccsc1 H55898 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 C1C=CC=C1C=O 39254 [0,0,0,0,0,0|1,0,2]=3 2 B7R1.1 C1C=CC=C1C=O 44292 [0,0,0,0,0,0|1,0,2]=3 3 B7R1.1 C1C=CC=C1CO 39257 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.1 C=CC1=CC=CC1 17450 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.1 CCC1=CC=CC1 39253 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.1 CCC1=CC=CC1 H27592 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.1 CCC1=CC=CC1 H27618 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.1 CCC1=CC=CC1 H27769 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.1 CCc1[nH]ccn1 B24090 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 CCc1ccco1 A15520 [0,0,0,0,0,0|1,1,0]=2 11 B7R1.1 CCc1cccs1 A13372 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.1 COc1ccco1 A15593 [0,0,0,0,0,0|2,1,0]=3 13 B7R1.1 COc1cccs1 A10455 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.1 COc1ccsc1 B21940 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 COc1nccs1 B25655 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 CSc1c[nH]cn1 H63990 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 CSc1cccs1 A11763 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.1 CSc1nccs1 B25137 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 C[Mn]C1=CC=CC1 47125 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 c1c(nc[nH]1)C=O B25050 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.1 c1c(nc[nH]1)CO L20182 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.1 c1c(ncs1)C=O H64028 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.1 c1c(scn1)C=O H60138 [0,0,0,0,0,0|1,0,2]=3 24 B7R1.1 c1c[nH]cc1C=O H35559 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.1 c1cc([nH]c1)C#N L15330 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.1 c1cc([nH]c1)C=O A12838 [0,0,0,0,0,0|1,0,2]=3 27 B7R1.1 c1cc(oc1)C#N A12214 [0,0,0,0,0,0|1,1,1]=3 28 B7R1.1 c1cc(oc1)C=O 31305 [0,0,0,0,0,0|0,1,2]=3 29 B7R1.1 c1cc(oc1)C=O A16167 [0,0,0,0,0,0|0,1,2]=3 30 B7R1.1 c1cc(oc1)CN B23975 [0,0,0,0,0,0|1,1,0]=2 31 B7R1.1 c1cc(oc1)CO A10968 [0,0,0,0,0,0|0,1,0]=1 32 B7R1.1 c1cc(oc1)CS B22380 [0,0,0,0,0,0|0,2,0]=2 33 B7R1.1 c1cc(sc1)C#N A11930 [0,0,0,0,0,0|1,0,1]=2 34 B7R1.1 c1cc(sc1)C=O A14344 [0,0,0,0,0,0|0,0,2]=2 35 B7R1.1 c1cc(sc1)CN A11700 [0,0,0,0,0,0|1,0,0]=1 36 B7R1.1 c1cc(sc1)CO A15768 [0,0,0,0,0,0|0,0,0]=0 37 B7R1.1 c1cnc([nH]1)C=O L13883 [0,0,0,0,0,0|2,0,2]=4 38 B7R1.1 c1cocc1C#N L14019 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.1 c1cocc1C=O A11334 [0,0,0,0,0,0|2,0,2]=4 40 B7R1.1 c1csc(n1)C#N H63425 [0,0,0,0,0,0|2,0,1]=3 41 B7R1.1 c1csc(n1)C=O H63329 [0,0,0,0,0,0|1,0,2]=3 42 B7R1.1 c1cscc1C#N L13115 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.1 c1cscc1C=O A14628 [0,0,0,0,0,0|2,0,2]=4 44 B7R1.1 c1cscc1CBr H61497 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.1 c1cscc1CN H61487 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.1 c1cscc1CO L01935 [0,0,0,0,0,0|2,0,0]=2 47 B7R1.1 c1ncn(n1)CCl H33830 [0,0,0,0,0,0|4,0,0]=4 48 B6R1.2 C1C=CC(=C1)Br H26076 [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 C1C=CC(=O)O1 L13142 [1,0,0,0,0,0|0,1,2]=4 50 B6R1.2 C1C=CC=C1Br L17045 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 C1C=CC=C1[Co] 23136 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.2 C1C=CC=C1[Mn] 38606 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.2 C1C=CC=C1[Mo+4] 40522 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.2 C1C=CC=C1[Nb+4] 39246 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 C1C=CC=C1[Re] 33655 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 C1C=CC=C1[Ti+3] 77134 [1,0,0,0,0,0|2,0,0]=3 57 B6R1.2 C1C=CC=C1[Tl] 13958 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 C1C=CC=C1[V] 81123 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 C1C=CC=C1[Zr+3] 20617 [1,0,0,0,0,0|2,0,0]=3 60 B6R1.2 C1CC(=O)C=C1 B23408 [1,0,0,0,0,0|1,0,2]=4 61 B6R1.2 CC1=CC=CC1 H27241 [1,0,0,0,0,0|1,0,0]=2 62 B6R1.2 CC1=CCC=C1 H27464 [1,0,0,0,0,0|1,0,1]=3 63 B6R1.2 CC1=CCCC1 A18816 [1,0,0,0,0,0|1,0,2]=4 64 B6R1.2 CC1=NCCS1 L01329 [1,0,0,0,0,0|1,0,2]=4 65 B6R1.2 Cc1[nH]ccn1 A17063 [1,0,0,0,0,0|2,0,0]=3 66 B6R1.2 Cc1c[nH]cn1 B24139 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.2 Cc1c[nH]cn1 L20184 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 Cc1c[nH]nc1 A18083 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 Cc1cc[nH]n1 L01618 [1,0,0,0,0,0|2,0,0]=3 70 B6R1.2 Cc1ccco1 B23692 [1,0,0,0,0,0|0,1,0]=2 71 B6R1.2 Cc1cccs1 A12736 [1,0,0,0,0,0|0,0,0]=1 72 B6R1.2 Cc1ccsc1 A13394 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 Cc1cncs1 L15879 [1,0,0,0,0,0|1,0,0]=2 74 B6R1.2 Cc1cscn1 A15428 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 Cn1cccc1 B21451 [1,0,0,0,0,0|2,0,0]=3 76 B6R1.2 Cn1cccn1 L14831 [1,0,0,0,0,0|2,0,0]=3 77 B6R1.2 Cn1ccnc1 A12575 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 Cn1cncn1 L18337 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 c1c(nc[nH]1)Br H64972 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 c1c(scn1)Br H55387 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 c1c[nH]nc1I H36465 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 c1c[nH]nc1N A14458 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 c1cc(oc1)Br H63218 [1,0,0,0,0,0|1,1,0]=3 84 B6R1.2 c1cc(sc1)Br A11959 [1,0,0,0,0,0|1,0,0]=2 85 B6R1.2 c1cc(sc1)Cl A10390 [1,0,0,0,0,0|1,0,0]=2 86 B6R1.2 c1cc(sc1)I A12898 [1,0,0,0,0,0|1,0,0]=2 87 B6R1.2 c1cc(sc1)S B22642 [1,0,0,0,0,0|0,1,0]=2 88 B6R1.2 c1cc(sc1)[Zn+] H58397 [1,0,0,0,0,0|1,0,0]=2 89 B6R1.2 c1cnc([nH]1)Br H52553 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 c1cnc([nH]1)Cl H51863 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 c1cnc([nH]1)I H51868 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 c1cnc([nH]1)N H25999 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 c1cnc([nH]1)S L01346 [1,0,0,0,0,0|2,1,0]=4 94 B6R1.2 c1coc(=O)o1 41400 [1,0,0,0,0,0|1,1,1]=4 95 B6R1.2 c1coc(n1)N H34360 [1,0,0,0,0,0|2,1,0]=4 96 B6R1.2 c1cocc1Br B23543 [1,0,0,0,0,0|3,0,0]=4 97 B6R1.2 c1csc(n1)Br A14838 [1,0,0,0,0,0|2,0,0]=3 98 B6R1.2 c1csc(n1)Cl H50155 [1,0,0,0,0,0|2,0,0]=3 99 B6R1.2 c1csc(n1)N A12026 [1,0,0,0,0,0|2,0,0]=3 100 B6R1.2 c1csc(n1)N H65068 [1,0,0,0,0,0|2,0,0]=3 101 B6R1.2 c1csc(n1)S L07058 [1,0,0,0,0,0|1,1,0]=3 102 B6R1.2 c1csc(n1)[Zn+] H58497 [1,0,0,0,0,0|2,0,0]=3 103 B6R1.2 c1cscc1Br A14022 [1,0,0,0,0,0|3,0,0]=4 104 B6R1.2 c1cscc1Cl B22669 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 c1cscc1I L17581 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 c1nnc(s1)N L01244 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 c1nnc(s1)S B22556 [1,0,0,0,0,0|2,1,0]=4 108 B8R1.1 C1=CC(=O)O[C@@H]1CO L11919 [0,1,0,0,0,0|0,1,1]=3 109 B8R1.1 CCc1[nH]cc(n1)C A15798 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 CCc1cc(n[nH]1)N H50782 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.1 CCc1cc(n[nH]1)N H51026 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.1 CCc1ccc(s1)C B22640 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.1 CCc1nc(cs1)C A15642 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 CCc1nnc(s1)N L06915 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.1 Cc1cc(no1)CO H61948 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.1 Cc1cc(on1)CO H63114 [0,1,0,0,0,0|1,1,0]=3 117 B8R1.1 Cc1ccc(o1)C=O A13264 [0,1,0,0,0,0|0,1,2]=4 118 B8R1.1 Cc1ccc(o1)SC B21998 [0,1,0,0,0,0|2,1,0]=4 119 B8R1.1 Cc1ccc(s1)C=O A11119 [0,1,0,0,0,0|0,0,2]=3 120 B8R1.1 Cc1nc(cs1)CCl A14902 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 c1c(coc1C=O)Br H26994 [0,1,0,0,0,0|0,1,2]=4 122 B8R1.1 c1c(csc1C=O)Br A13304 [0,1,0,0,0,0|0,0,2]=3 123 B8R1.1 c1c(sc(n1)Br)C=O H31096 [0,1,0,0,0,0|1,0,2]=4 124 B8R1.1 c1c(sc(n1)Cl)C=O H33256 [0,1,0,0,0,0|1,0,2]=4 125 B8R1.1 c1c(sc(n1)N)C#N H30019 [0,1,0,0,0,0|2,0,1]=4 126 B8R1.1 c1c(sc(n1)N)C=O H27112 [0,1,0,0,0,0|1,0,2]=4 127 B8R1.1 c1cc(oc1C=O)Br B22536 [0,1,0,0,0,0|0,1,2]=4 128 B8R1.1 c1cc(oc1C=O)Cl L19971 [0,1,0,0,0,0|0,1,2]=4 129 B8R1.1 c1cc(oc1C=O)I L19670 [0,1,0,0,0,0|0,1,2]=4 130 B8R1.1 c1cc(sc1C=O)Br A13381 [0,1,0,0,0,0|0,0,2]=3 131 B8R1.1 c1cc(sc1C=O)Cl B22833 [0,1,0,0,0,0|0,0,2]=3 132 B8R1.1 c1cc(sc1CCl)Cl H54361 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.1 c1cc(sc1CO)Br H61493 [0,1,0,0,0,0|0,0,0]=1 134 B8R1.7 B(c1cc[nH]n1)(O)O H27286 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.7 B(c1ccco1)(O)O B23842 [0,1,0,0,0,0|1,1,0]=3 136 B8R1.7 B(c1cccs1)(O)O B23071 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.7 B(c1ccoc1)(O)O L19834 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.7 B(c1ccsc1)(O)O B23637 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [0,1,0,0,0,0|1,0,2]=4 141 B8R1.7 CC(=O)c1ccco1 A14938 [0,1,0,0,0,0|0,1,2]=4 142 B8R1.7 CC(=O)c1cccs1 A13062 [0,1,0,0,0,0|0,0,2]=3 143 B8R1.7 CC(=O)c1nccs1 A11266 [0,1,0,0,0,0|1,0,2]=4 144 B8R1.7 CC(C)c1[nH]ccn1 A13307 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.7 CC(C1=CCC=C1)O L19681 [0,1,0,0,0,0|1,0,1]=3 146 B8R1.7 CC(c1cccs1)N H26052 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [0,1,0,0,0,0|1,0,1]=3 148 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.7 C[C@H](c1cccs1)O H26936 [0,1,0,0,0,0|0,0,0]=1 150 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [0,1,0,0,0,0|2,0,1]=4 151 B8R1.7 c1c(ocn1)C(=O)O H30179 [0,1,0,0,0,0|1,1,1]=4 152 B8R1.7 c1c[nH]cc1C(=O)O H55383 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.7 c1c[nH]nc1C(=O)O B25732 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [0,1,0,0,0,0|1,0,1]=3 155 B8R1.7 c1cc([nH]c1)C(=S)N H58042 [0,1,0,0,0,0|1,1,1]=4 156 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [0,1,0,0,0,0|0,1,2]=4 157 B8R1.7 c1cc(oc1)C(=O)N B25075 [0,1,0,0,0,0|0,1,2]=4 158 B8R1.7 c1cc(oc1)C(=O)O A11454 [0,1,0,0,0,0|0,1,1]=3 159 B8R1.7 c1cc(oc1)C(=S)N H51831 [0,1,0,0,0,0|0,2,1]=4 160 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [0,1,0,0,0,0|0,0,2]=3 161 B8R1.7 c1cc(sc1)C(=O)N A15219 [0,1,0,0,0,0|0,0,2]=3 162 B8R1.7 c1cc(sc1)C(=O)O A12514 [0,1,0,0,0,0|0,0,1]=2 163 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [0,1,0,0,0,0|0,0,2]=3 164 B8R1.7 c1cc(sc1)C(=S)N B25225 [0,1,0,0,0,0|0,1,1]=3 165 B8R1.7 c1cc(sc1)[N+](=O)[O-] A17464 [0,1,0,0,0,0|1,0,1]=3 166 B8R1.7 c1cnoc1C(=O)O A13739 [0,1,0,0,0,0|1,1,1]=4 167 B8R1.7 c1cocc1C(=O)O L11629 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.7 c1conc1C(=O)O H58438 [0,1,0,0,0,0|2,0,1]=4 169 B8R1.7 c1csc(n1)C(=O)O H63620 [0,1,0,0,0,0|1,0,1]=3 170 B8R1.7 c1cscc1C(=O)O A15712 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.8 C1C=CC=C1CC#N 44131 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.8 CCCc1ccco1 B21703 [0,1,0,0,0,0|1,1,0]=3 173 B8R1.8 CCCc1cccs1 L03052 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.8 CCCc1nccs1 A11574 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.8 CSCc1ccco1 B21691 [0,1,0,0,0,0|0,2,0]=3 176 B8R1.8 c1c(nc[nH]1)CC#N H32992 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.8 c1c(nc[nH]1)CCN L09198 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.8 c1cc([nH]c1)\C=N\O L18959 [0,1,0,0,0,0|1,0,1]=3 179 B8R1.8 c1cc(sc1)CC#N A15047 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.8 c1cc(sc1)CCN A10920 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.8 c1cc(sc1)CCO B21562 [0,1,0,0,0,0|0,0,0]=1 182 B8R1.8 c1cc(sc1)\C=N\O L10961 [0,1,0,0,0,0|0,0,1]=2 183 B8R1.8 c1cscc1CC#N A12805 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.8 c1cscc1CCO L15138 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.8 c1cscc1\C=N\O L13114 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.11 Cc1c(ocn1)CO H52399 [0,1,0,0,0,0|1,1,0]=3 187 B8R1.11 Cc1c(scn1)C=C B21719 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.11 Cc1c(scn1)C=O H61613 [0,1,0,0,0,0|1,0,2]=4 189 B8R1.11 Cc1c(scn1)CO H61900 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.11 Cc1c(snn1)CO H26129 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.11 Cc1ccsc1C#N A13305 [0,1,0,0,0,0|1,0,1]=3 192 B8R1.11 Cc1ccsc1C=O A13961 [0,1,0,0,0,0|0,0,2]=3 193 B8R1.11 Cc1ccsc1C=O L14741 [0,1,0,0,0,0|0,0,2]=3 194 B8R1.11 Cc1ccsc1CN L18094 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.11 Cn1cccc1C=O A11163 [0,1,0,0,0,0|1,0,2]=4 196 B8R1.11 Cn1ccnc1CO H64006 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.11 c1csc(c1Br)C#N L09328 [0,1,0,0,0,0|1,0,1]=3 198 B8R1.11 c1csc(c1Br)C=O L19386 [0,1,0,0,0,0|0,0,2]=3 199 B8R1.11 c1csc(c1CN)Br H66245 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.1 C=COC(=O)CCl L09446 [0,0,1,0,0,0|2,1,0]=4 201 B6R0.1 CCC(=O)OC=C L12931 [0,0,1,0,0,0|2,1,0]=4 202 B6R0.1 CCC(=O)\C=C\C H27445 [0,0,1,0,0,0|1,1,1]=4 203 B6R0.6 C=CCCCCO A15766 [0,0,1,0,0,0|1,0,2]=4 204 B6R0.6 CCC\C=C/CO A13734 [0,0,1,0,0,0|1,0,2]=4 205 B6R0.6 CCC\C=C\C=O A11513 [0,0,1,0,0,0|1,1,1]=4 206 B6R0.6 CCC\C=C\CO A13272 [0,0,1,0,0,0|1,0,2]=4 207 B6R0.6 CC\C=C/CCO A10313 [0,0,1,0,0,0|1,0,2]=4 208 B6R0.6 CC\C=C\CCO L10541 [0,0,1,0,0,0|1,0,2]=4 209 B6R0.6 C\C=C/CCCO A19266 [0,0,1,0,0,0|1,0,2]=4 210 B6R0.6 C\C=C\C=C\C=O A13200 [0,0,1,0,0,0|1,0,2]=4 211 B6R0.6 C\C=C\C=C\CO A12660 [0,0,1,0,0,0|1,0,0]=2 212 B6R0.6 C\C=C\CCCO H54459 [0,0,1,0,0,0|1,0,2]=4 213 B8R1.2 C#Cc1ccccc1 A12139 [0,0,0,0,0,1|2,0,1]=4 214 B8R1.2 C#Cc1ccccn1 L11274 [0,0,0,0,0,1|2,0,1]=4 215 B8R1.2 C#Cc1cccnc1 H53465 [0,0,0,0,0,1|2,0,1]=4 216 B8R1.2 C#Cc1ccncc1 H53455 [0,0,0,0,0,1|2,0,1]=4 217 B8R1.2 C1CC(OC=C1)CO H56124 [0,0,0,0,0,1|0,1,2]=4 218 B8R1.2 C=Cc1ccccc1 16199 [0,0,0,0,0,1|2,0,1]=4 219 B8R1.2 C=Cc1ccccc1 A18481 [0,0,0,0,0,1|2,0,1]=4 220 B8R1.2 C=Cc1ccccn1 A14056 [0,0,0,0,0,1|2,0,1]=4 221 B8R1.2 C=Cc1ccncc1 H36621 [0,0,0,0,0,1|2,0,1]=4 222 B8R1.2 C=Cc1ccncc1 L13316 [0,0,0,0,0,1|2,0,1]=4 223 B8R1.2 C=Cc1cnccn1 A14007 [0,0,0,0,0,1|2,0,1]=4 224 B8R1.2 CC[n+]1ccccc1 A17911 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.2 CCc1ccccc1 L05908 [0,0,0,0,0,1|2,0,0]=3 226 B8R1.2 CCc1ccccn1 A17352 [0,0,0,0,0,1|2,0,0]=3 227 B8R1.2 CCc1cccnc1 B20318 [0,0,0,0,0,1|2,0,0]=3 228 B8R1.2 CCc1ccncc1 A12883 [0,0,0,0,0,1|2,0,0]=3 229 B8R1.2 CCc1cnccn1 A12759 [0,0,0,0,0,1|2,0,0]=3 230 B8R1.2 CNc1ccccc1 L13873 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.2 CNc1ccccn1 B23589 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.2 CNc1cccnc1 H63602 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.2 CNc1ccncc1 L19626 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.2 CNc1ncccn1 H65564 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.2 COc1ccccc1 A12997 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.2 COc1ccccn1 A13675 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.2 COc1ccncc1 L19625 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.2 COc1cnccn1 A10297 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.2 CSc1ccccc1 A14846 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.2 CSc1cnccn1 B25279 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.2 C[NH2+]c1ccccc1 A17781 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.2 [2H]Oc1ccccc1 H51100 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.2 [C-]#Cc1ccccc1 17538 [0,0,0,0,0,1|2,0,1]=4 244 B8R1.2 c1cc(cnc1)C#N A14850 [0,0,0,0,0,1|2,0,1]=4 245 B8R1.2 c1cc(cnc1)C=O A14607 [0,0,0,0,0,1|1,0,2]=4 246 B8R1.2 c1cc(cnc1)CCl A13279 [0,0,0,0,0,1|2,0,0]=3 247 B8R1.2 c1cc(cnc1)CN B23634 [0,0,0,0,0,1|2,0,0]=3 248 B8R1.2 c1cc(cnc1)CO A10381 [0,0,0,0,0,1|1,0,0]=2 249 B8R1.2 c1cc(nnc1)C#N H33568 [0,0,0,0,0,1|2,0,1]=4 250 B8R1.2 c1ccc(cc1)C#N 10004 [0,0,0,0,0,1|2,0,1]=4 251 B8R1.2 c1ccc(cc1)C#N 10006 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.2 c1ccc(cc1)C#N A11173 [0,0,0,0,0,1|2,0,1]=4 253 B8R1.2 c1ccc(cc1)C=O 30749 [0,0,0,0,0,1|1,0,2]=4 254 B8R1.2 c1ccc(cc1)C=O A10348 [0,0,0,0,0,1|1,0,2]=4 255 B8R1.2 c1ccc(cc1)C=O L19475 [0,0,0,0,0,1|1,0,2]=4 256 B8R1.2 c1ccc(cc1)CBr A13535 [0,0,0,0,0,1|2,0,0]=3 257 B8R1.2 c1ccc(cc1)CCl A12481 [0,0,0,0,0,1|2,0,0]=3 258 B8R1.2 c1ccc(cc1)CN A10997 [0,0,0,0,0,1|2,0,0]=3 259 B8R1.2 c1ccc(cc1)CN L04102 [0,0,0,0,0,1|2,0,0]=3 260 B8R1.2 c1ccc(cc1)CN L19471 [0,0,0,0,0,1|2,0,0]=3 261 B8R1.2 c1ccc(cc1)CO 41218 [0,0,0,0,0,1|1,0,0]=2 262 B8R1.2 c1ccc(cc1)CO L03292 [0,0,0,0,0,1|1,0,0]=2 263 B8R1.2 c1ccc(cc1)CO L19592 [0,0,0,0,0,1|1,0,0]=2 264 B8R1.2 c1ccc(cc1)CS 44466 [0,0,0,0,0,1|1,1,0]=3 265 B8R1.2 c1ccc(cc1)CS B20081 [0,0,0,0,0,1|1,1,0]=3 266 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [0,0,0,0,0,1|2,0,0]=3 267 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [0,0,0,0,0,1|2,0,0]=3 268 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [0,0,0,0,0,1|2,0,0]=3 269 B8R1.2 c1ccc(cc1)I=O B24531 [0,0,0,0,0,1|2,0,1]=4 270 B8R1.2 c1ccc(cc1)NN A11246 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.2 c1ccc(cc1)NN A14645 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.2 c1ccc(cc1)[As]=O A14674 [0,0,0,0,0,1|2,0,1]=4 273 B8R1.2 c1ccc(cc1)[Se]Br A11906 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.2 c1ccnc(c1)C#N A12900 [0,0,0,0,0,1|2,0,1]=4 276 B8R1.2 c1ccnc(c1)C=O A11391 [0,0,0,0,0,1|1,0,2]=4 277 B8R1.2 c1ccnc(c1)CCl A10226 [0,0,0,0,0,1|2,0,0]=3 278 B8R1.2 c1ccnc(c1)CN B23208 [0,0,0,0,0,1|2,0,0]=3 279 B8R1.2 c1ccnc(c1)CO A15005 [0,0,0,0,0,1|1,0,0]=2 280 B8R1.2 c1cnc(cn1)C#N A10974 [0,0,0,0,0,1|2,0,1]=4 281 B8R1.2 c1cnc(cn1)NN H64086 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.2 c1cnccc1C#N A10286 [0,0,0,0,0,1|2,0,1]=4 283 B8R1.2 c1cnccc1C=O A10656 [0,0,0,0,0,1|1,0,2]=4 284 B8R1.2 c1cnccc1CCl A12859 [0,0,0,0,0,1|2,0,0]=3 285 B8R1.2 c1cnccc1CN L06345 [0,0,0,0,0,1|2,0,0]=3 286 B8R1.2 c1cnccc1CO A14698 [0,0,0,0,0,1|1,0,0]=2 287 B8R1.2 c1cncnc1CN H32582 [0,0,0,0,0,1|2,0,0]=3 288 B8R1.2 c1cncnc1CO H31754 [0,0,0,0,0,1|1,0,0]=2 289 B5R0.1 C(=C/Cl)/C(=O)O A14798 [1,0,1,0,0,0|1,1,0]=4 290 B5R0.1 C(=C\Cl)/C(=O)O A15527 [1,0,1,0,0,0|1,1,0]=4 291 B5R0.1 C=CCC(=O)O L07557 [1,0,1,0,0,0|0,1,1]=4 292 B5R0.1 CC(=CC=O)C B22226 [1,0,1,0,0,0|2,0,0]=4 293 B5R0.1 CC(=O)OC=C A16247 [1,0,1,0,0,0|1,1,0]=4 294 B5R0.1 C\C=C\C(=O)C L13031 [1,0,1,0,0,0|0,1,1]=4 295 B5R0.1 C\C=C\C(=O)O A15765 [1,0,1,0,0,0|0,1,1]=4 296 B5R0.2 C#C\C=C\CO L10266 [1,0,1,0,0,0|0,0,2]=4 297 B5R0.2 C(\C=C/CO)O A19182 [1,0,1,0,0,0|0,1,1]=4 298 B5R0.2 C=CCCCO A11178 [1,0,1,0,0,0|0,0,2]=4 299 B5R0.2 CCSCC=C L12847 [1,0,1,0,0,0|0,0,2]=4 300 B5R0.2 CC\C=C/CO A14262 [1,0,1,0,0,0|0,0,2]=4 301 B5R0.2 CC\C=C\C=O L06108 [1,0,1,0,0,0|0,1,1]=4 302 B5R0.2 C\C=C\C=C\C H53404 [1,0,1,0,0,0|1,0,0]=3 303 B5R0.2 C\C=C\CC=C B20060 [1,0,1,0,0,0|1,0,1]=4 304 B5R0.3 CCC(=C)C=O B21839 [1,0,1,0,0,0|2,0,0]=4 305 B5R0.3 CCC(=O)C=C L06829 [1,0,1,0,0,0|1,1,0]=4 306 B5R1.1 C1C=CC=C1 31114 [2,0,0,0,0,0|1,0,0]=3 307 B5R1.1 C1C=CC=C1 39245 [2,0,0,0,0,0|1,0,0]=3 308 B5R1.1 C1C=CC=C1 87202 [2,0,0,0,0,0|1,0,0]=3 309 B5R1.1 C1C=CC=C1 H27238 [2,0,0,0,0,0|1,0,0]=3 310 B5R1.1 C1C=CC=C1 H27389 [2,0,0,0,0,0|1,0,0]=3 311 B5R1.1 C1C=CC=C1 H27818 [2,0,0,0,0,0|1,0,0]=3 312 B5R1.1 [cH-]1cccc1 39329 [2,0,0,0,0,0|1,0,0]=3 313 B5R1.1 [cH-]1cccc1 88300 [2,0,0,0,0,0|1,0,0]=3 314 B5R1.1 c1c[nH]nc1 A14186 [2,0,0,0,0,0|2,0,0]=4 315 B5R1.1 c1cc[nH]c1 A12616 [2,0,0,0,0,0|1,0,0]=3 316 B5R1.1 c1ccoc1 A13102 [2,0,0,0,0,0|0,1,0]=3 317 B5R1.1 c1ccsc1 A13941 [2,0,0,0,0,0|0,0,0]=2 318 B5R1.1 c1cnc[nH]1 A10221 [2,0,0,0,0,0|2,0,0]=4 319 B5R1.1 c1cnc[nH]1 J61956 [2,0,0,0,0,0|2,0,0]=4 320 B5R1.1 c1cnc[nH]1 J62207 [2,0,0,0,0,0|2,0,0]=4 321 B5R1.1 c1cnc[nH]1 J62593 [2,0,0,0,0,0|2,0,0]=4 322 B5R1.1 c1cnc[nH]1 J63496 [2,0,0,0,0,0|2,0,0]=4 323 B5R1.1 c1cnc[nH]1 J63887 [2,0,0,0,0,0|2,0,0]=4 324 B5R1.1 c1cnc[nH]1 J67055 [2,0,0,0,0,0|2,0,0]=4 325 B5R1.1 c1cnc[nH]1 J67255 [2,0,0,0,0,0|2,0,0]=4 326 B5R1.1 c1cnoc1 L01607 [2,0,0,0,0,0|1,1,0]=4 327 B5R1.1 c1cocn1 L18341 [2,0,0,0,0,0|1,1,0]=4 328 B5R1.1 c1cscn1 L09970 [2,0,0,0,0,0|1,0,0]=3 329 B7R0.3 CCC(=O)SCC=C B22532 [0,1,1,0,0,0|2,0,0]=4 330 B7R0.1 CC\C=C\C=C\CO 15765 [0,1,1,0,0,0|1,0,0]=3 331 B7R0.4 C\C=C\C=C\C(=O)O A16196 [0,1,1,0,0,0|1,0,1]=4 332 B7R1.2 C1=CC(=O)NC1=O A13135 [1,1,0,0,0,0|1,0,1]=4 333 B7R1.2 C1=CC(=O)OC1=O A12178 [1,1,0,0,0,0|0,1,1]=4 334 B7R1.2 C1=CC(=O)OC1=O H66064 [1,1,0,0,0,0|0,1,1]=4 335 B7R1.2 CC1=CC(=O)CC1 A13993 [1,1,0,0,0,0|1,0,1]=4 336 B7R1.2 CC1=CCC(=O)O1 L07602 [1,1,0,0,0,0|0,1,1]=4 337 B7R1.2 Cc1c[nH]c(n1)C A11949 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.2 Cc1cc(n[nH]1)C A10157 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.2 Cc1cc(n[nH]1)N A11642 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.2 Cc1cc(no1)O 44450 [1,1,0,0,0,0|1,1,0]=4 341 B7R1.2 Cc1cc(on1)C A12217 [1,1,0,0,0,0|1,1,0]=4 342 B7R1.2 Cc1cc(on1)N A12446 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.2 Cc1ccc(o1)C A12833 [1,1,0,0,0,0|0,1,0]=3 344 B7R1.2 Cc1ccc(s1)C A10869 [1,1,0,0,0,0|0,0,0]=2 345 B7R1.2 Cc1ccc(s1)Cl B21657 [1,1,0,0,0,0|0,0,0]=2 346 B7R1.2 Cc1cnc(s1)Br H63951 [1,1,0,0,0,0|1,0,0]=3 347 B7R1.2 Cc1cnc(s1)N L11039 [1,1,0,0,0,0|1,0,0]=3 348 B7R1.2 Cc1csc(n1)C A13604 [1,1,0,0,0,0|1,0,0]=3 349 B7R1.2 Cc1csc(n1)N A14847 [1,1,0,0,0,0|2,0,0]=4 350 B7R1.2 Cc1csc(n1)S A19520 [1,1,0,0,0,0|1,1,0]=4 351 B7R1.2 Cc1nnc(s1)C A17227 [1,1,0,0,0,0|2,0,0]=4 352 B7R1.2 Cc1nnc(s1)S B21355 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.2 Cn1cc(cn1)Br H64768 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.2 Cn1cc(cn1)N H33728 [1,1,0,0,0,0|2,0,0]=4 355 B7R1.2 Cn1ccc(n1)I H66356 [1,1,0,0,0,0|2,0,0]=4 356 B7R1.2 Cn1ccc(n1)N H30935 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.2 c1c(csc1Br)Br L13591 [1,1,0,0,0,0|1,0,0]=3 358 B7R1.2 c1c(n[nH]c1O)N A11412 [1,1,0,0,0,0|2,0,0]=4 359 B7R1.2 c1c(nc(s1)Br)Br H60230 [1,1,0,0,0,0|2,0,0]=4 360 B7R1.2 c1c(nc(s1)N)N H65434 [1,1,0,0,0,0|2,0,0]=4 361 B7R1.2 c1c(sc(n1)Br)Br H26909 [1,1,0,0,0,0|2,0,0]=4 362 B7R1.2 c1c(sc(n1)N)Br H31514 [1,1,0,0,0,0|2,0,0]=4 363 B7R1.2 c1c(sc(n1)N)Cl L05707 [1,1,0,0,0,0|2,0,0]=4 364 B7R1.2 c1cc(sc1Br)Br A13406 [1,1,0,0,0,0|1,0,0]=3 365 B7R1.2 c1cc(sc1Cl)Br A16682 [1,1,0,0,0,0|1,0,0]=3 366 B7R1.2 c1cc(sc1Cl)Cl A13839 [1,1,0,0,0,0|1,0,0]=3 367 B7R1.2 c1cc(sc1Cl)[Zn+] H58674 [1,1,0,0,0,0|1,0,0]=3 368 B7R1.2 c1cc(sc1I)I A12443 [1,1,0,0,0,0|1,0,0]=3 369 B7R1.2 c1cc(sc1[Zn+])Br H58942 [1,1,0,0,0,0|1,0,0]=3 370 B7R1.4 Cc1c(c[nH]n1)Br B20069 [1,1,0,0,0,0|2,0,0]=4 371 B7R1.4 Cc1c(scn1)C A10785 [1,1,0,0,0,0|1,0,0]=3 372 B7R1.4 Cc1c[nH]nc1C H37099 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.4 Cc1ccoc1C L15705 [1,1,0,0,0,0|0,1,0]=3 374 B7R1.4 Cc1ccsc1Br L11393 [1,1,0,0,0,0|1,0,0]=3 375 B7R1.4 Cc1ccsc1C H31641 [1,1,0,0,0,0|0,0,0]=2 376 B7R1.4 Cc1ccsc1Cl H27957 [1,1,0,0,0,0|1,0,0]=3 377 B7R1.4 Cc1nccn1C B23544 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.4 Cn1c(ccn1)I H37465 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.4 c1coc(c1Br)Br L15518 [1,1,0,0,0,0|1,1,0]=4 380 B7R1.4 c1csc(c1Br)Br A12998 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.4 c1csc(c1Br)Cl L19318 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.4 c1csc(c1Cl)Cl L10578 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.1 CCc1ccc(cc1)Br A13013 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.1 CCc1ccc(cc1)C L02120 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.1 CCc1ccc(cc1)Cl L07931 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.1 CCc1ccc(cc1)F L05940 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.1 CCc1ccc(cc1)I A14138 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.1 CCc1ccc(cc1)N B24652 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 CCc1ccc(cc1)O B23433 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.1 CCc1ccc(cc1)S B25026 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.1 CCc1ccc(nc1)C L06901 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.1 Cc1ccc(cc1)CBr A13297 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.1 Cc1ccc(cc1)CCl A17183 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.1 Cc1ccc(cc1)CN A13768 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.1 Cc1ccc(cc1)CO A15315 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.1 Cc1ccc(cc1)CS A10467 [0,1,0,0,0,1|1,1,0]=4 399 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.1 c1cc(ccc1CBr)Br A10892 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.1 c1cc(ccc1CBr)Cl B22858 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.1 c1cc(ccc1CBr)F A10208 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 c1cc(ccc1CBr)I A18200 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.1 c1cc(ccc1CCl)Br L11486 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.1 c1cc(ccc1CCl)Cl A14696 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 c1cc(ccc1CCl)F A14686 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 c1cc(ccc1CN)Br A10979 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.1 c1cc(ccc1CN)Cl A13984 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.1 c1cc(ccc1CN)F A15486 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.1 c1cc(ccc1CN)I L17450 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.1 c1cc(ccc1CN)I L19967 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.1 c1cc(ccc1CO)Br A13197 [0,1,0,0,0,1|1,0,0]=3 413 B9R1.1 c1cc(ccc1CO)Cl A11504 [0,1,0,0,0,1|1,0,0]=3 414 B9R1.1 c1cc(ccc1CO)F A12336 [0,1,0,0,0,1|1,0,0]=3 415 B9R1.1 c1cc(ccc1CO)I L19278 [0,1,0,0,0,1|1,0,0]=3 416 B9R1.1 c1cc(ccc1CO)N A14130 [0,1,0,0,0,1|1,0,0]=3 417 B9R1.1 c1cc(ccc1CO)O A13132 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.1 c1cc(ccc1CS)Br H26299 [0,1,0,0,0,1|1,1,0]=4 419 B9R1.1 c1cc(ccc1CS)Cl A19876 [0,1,0,0,0,1|1,1,0]=4 420 B9R1.1 c1cc(ccc1CS)F A10126 [0,1,0,0,0,1|1,1,0]=4 421 B9R1.1 c1cc(ccc1C[Mg+])Br H60905 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.1 c1cc(ccc1C[Mg+])F H54990 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.1 c1cc(ccc1C[Zn+])Br H58662 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.1 c1cc(ccc1C[Zn+])F H58847 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.1 c1cc(ncc1CCl)Cl L19284 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.1 c1cc(ncc1CN)Cl L19283 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.1 c1cc(ncc1CO)Br H61375 [0,1,0,0,0,1|1,0,0]=3 430 B9R1.1 c1cc(ncc1CO)Cl L19285 [0,1,0,0,0,1|1,0,0]=3 431 B9R1.1 c1cc(ncc1CO)N H33416 [0,1,0,0,0,1|1,0,0]=3 432 B9R1.2 CCc1cccc(c1)Br A12258 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.2 CCc1cccc(c1)C L18788 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 CCc1cccc(c1)O B23470 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 CCc1cccc(n1)N A19146 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.2 CCc1ccnc(c1)N A18754 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.2 Cc1cccc(c1)CBr B24731 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.2 Cc1cccc(c1)CCl A10784 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 Cc1cccc(c1)CN L04922 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 Cc1cccc(c1)CO B20875 [0,1,0,0,0,1|1,0,0]=3 441 B9R1.2 Cc1cccc(c1)CS L12043 [0,1,0,0,0,1|1,1,0]=4 442 B9R1.2 Cc1cccc(c1)C[Mg+] H54617 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 Cc1cccc(n1)CBr H55438 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.2 Cc1cccc(n1)CO H26794 [0,1,0,0,0,1|1,0,0]=3 445 B9R1.2 c1c(cncc1Br)CCl H66131 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.2 c1c(cncc1Br)CO H52339 [0,1,0,0,0,1|1,0,0]=3 447 B9R1.2 c1cc(cc(c1)Br)CBr A15075 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.2 c1cc(cc(c1)Br)CCl L12458 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.2 c1cc(cc(c1)Br)CN A16132 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.2 c1cc(cc(c1)Br)CN B24963 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.2 c1cc(cc(c1)Br)CO A10929 [0,1,0,0,0,1|1,0,0]=3 452 B9R1.2 c1cc(cc(c1)Br)CS H26358 [0,1,0,0,0,1|1,1,0]=4 453 B9R1.2 c1cc(cc(c1)Br)C[Mg+] H60329 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.2 c1cc(cc(c1)Br)C[Zn+] H58983 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.2 c1cc(cc(c1)Cl)CBr A15844 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.2 c1cc(cc(c1)Cl)CCl A11041 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.2 c1cc(cc(c1)Cl)CN A14078 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.2 c1cc(cc(c1)Cl)CO A11841 [0,1,0,0,0,1|1,0,0]=3 459 B9R1.2 c1cc(cc(c1)Cl)C[Mg+] H54237 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.2 c1cc(cc(c1)Cl)C[Zn+] H58753 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.2 c1cc(cc(c1)F)CBr A15446 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.2 c1cc(cc(c1)F)CCl A12665 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.2 c1cc(cc(c1)F)CN B23527 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.2 c1cc(cc(c1)F)CO A12509 [0,1,0,0,0,1|1,0,0]=3 465 B9R1.2 c1cc(cc(c1)F)C[Mg+] H54485 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.2 c1cc(cc(c1)F)C[Zn+] H58707 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.2 c1cc(cc(c1)I)CBr A11140 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.2 c1cc(cc(c1)I)CN L05622 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.2 c1cc(cc(c1)I)CN L17801 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.2 c1cc(cc(c1)I)CO L05309 [0,1,0,0,0,1|1,0,0]=3 471 B9R1.2 c1cc(cc(c1)N)CO L07847 [0,1,0,0,0,1|1,0,0]=3 472 B9R1.2 c1cc(cc(c1)O)CN H35708 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.2 c1cc(cc(c1)O)CO A15981 [0,1,0,0,0,1|1,0,0]=3 474 B9R1.2 c1cc(nc(c1)Br)CO H56123 [0,1,0,0,0,1|1,0,0]=3 475 B9R1.2 c1cc(nc(c1)N)CO H33485 [0,1,0,0,0,1|1,0,0]=3 476 B9R1.2 c1cnc(cc1CO)Br L19856 [0,1,0,0,0,1|1,0,0]=3 477 B9R1.2 c1cnc(cc1CO)Cl H50099 [0,1,0,0,0,1|1,0,0]=3 478 B9R1.2 c1cnc(cc1CO)N L19846 [0,1,0,0,0,1|1,0,0]=3 479 B9R1.2 c1cnc(nc1N)CCl H66760 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.6 B(c1ccccc1)(O)O A14257 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.6 B(c1ccccc1)(O)O L19459 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.6 B(c1ccccn1)(O)O H53314 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.6 B(c1cccnc1)(O)O L15040 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.6 B(c1ccncc1)(O)O H52648 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.6 B(c1ccncc1)(O)O L15179 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.6 CC(C)c1ccccc1 A11864 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.6 CC(C)c1cnccn1 A13891 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.6 CC(c1ccccc1)Br A16839 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.6 CC(c1ccccc1)N A15711 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.6 CC(c1ccccc1)O A13837 [0,1,0,0,0,1|1,0,0]=3 491 B9R1.6 CC(c1ccccc1)S H26345 [0,1,0,0,0,1|1,1,0]=4 492 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.6 CC(c1ccccn1)N H26046 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.6 CC(c1cccnc1)N H26047 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.6 CC(c1ccncc1)N H50303 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.6 CC(c1ccncc1)O H58711 [0,1,0,0,0,1|1,0,0]=3 497 B9R1.6 C[C@@H](c1ccccc1)N A12632 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.6 C[C@@H](c1ccccc1)N L19118 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.6 C[C@@H](c1ccccc1)O B21188 [0,1,0,0,0,1|1,0,0]=3 500 B9R1.6 C[C@H](c1ccccc1)N A10967 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.6 C[C@H](c1ccccc1)N L19117 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.6 C[C@H](c1ccccc1)O L19296 [0,1,0,0,0,1|1,0,0]=3 503 B9R1.6 C[C@H](c1ccncc1)O H51033 [0,1,0,0,0,1|1,0,0]=3 504 B9R1.6 c1cc(cnc1)C(=O)O A12683 [0,1,0,0,0,1|1,0,1]=4 505 B9R1.6 c1cc(cnc1)C(F)F H33189 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.6 c1cc(nnc1)C(=O)O H34341 [0,1,0,0,0,1|1,0,1]=4 507 B9R1.6 c1ccc(cc1)C(=O)O 36230 [0,1,0,0,0,1|1,0,1]=4 508 B9R1.6 c1ccc(cc1)C(=O)O A14062 [0,1,0,0,0,1|1,0,1]=4 509 B9R1.6 c1ccc(cc1)C(=O)O H25864 [0,1,0,0,0,1|1,0,1]=4 510 B9R1.6 c1ccc(cc1)C(=O)O L19473 [0,1,0,0,0,1|1,0,1]=4 511 B9R1.6 c1ccc(cc1)C(=S)O B24458 [0,1,0,0,0,1|1,0,1]=4 512 B9R1.6 c1ccc(cc1)P(=O)O A17453 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.6 c1ccnc(c1)C(=O)O A14749 [0,1,0,0,0,1|1,0,1]=4 514 B9R1.6 c1ccnc(c1)C(F)F H33258 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.6 c1cnc(cn1)C(=O)O A13363 [0,1,0,0,0,1|1,0,1]=4 516 B9R1.6 c1cnc(nc1)C(=O)O H54745 [0,1,0,0,0,1|1,0,1]=4 517 B9R1.6 c1cnccc1C(=O)O A18109 [0,1,0,0,0,1|1,0,1]=4 518 B9R1.6 c1cnccc1C(F)F H34075 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.6 c1cncnc1C(=O)O H60022 [0,1,0,0,0,1|1,0,1]=4 520 B9R1.8 C#CCc1ccccc1 H53500 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.8 C=CCc1ccccc1 A12965 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.8 CCCc1ccccc1 B21468 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.8 CCNc1ccccc1 A15060 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.8 CCOc1ccccc1 A15501 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.8 CCOc1ccccn1 L05649 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.8 CCOc1cnccn1 B25219 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.8 CCSc1ccccc1 A13987 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.8 CNCc1ccccc1 A13746 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.8 CNCc1cccnc1 H50262 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.8 COCc1ccccc1 B23490 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.8 c1cc(cnc1)CC#N B24964 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.8 c1cc(cnc1)CCN L16311 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.8 c1cc(cnc1)\C=N\O B25679 [0,1,0,0,0,1|1,0,1]=4 534 B9R1.8 c1ccc(cc1)CC#N A10694 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.8 c1ccc(cc1)CC=O A14263 [0,1,0,0,0,1|1,0,1]=4 536 B9R1.8 c1ccc(cc1)CCBr A12528 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.8 c1ccc(cc1)CCCl L04891 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.8 c1ccc(cc1)CCN A13402 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.8 c1ccc(cc1)CCO A15241 [0,1,0,0,0,1|1,0,0]=3 540 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.8 c1ccc(cc1)CNN H54916 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.8 c1ccc(cc1)CON A17393 [0,1,0,0,0,1|1,0,0]=3 543 B9R1.8 c1ccc(cc1)CON L13601 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.8 c1ccc(cc1)\C=N\O A12053 [0,1,0,0,0,1|1,0,1]=4 545 B9R1.8 c1ccnc(c1)CC#N A13087 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.8 c1ccnc(c1)CCN L05627 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.8 c1ccnc(c1)CCO B23579 [0,1,0,0,0,1|1,0,0]=3 548 B9R1.8 c1ccnc(c1)\C=N\O A16714 [0,1,0,0,0,1|1,0,1]=4 549 B9R1.8 c1ccnc(c1)\C=N\O B23890 [0,1,0,0,0,1|1,0,1]=4 550 B9R1.8 c1cnc(cn1)CCS A13045 [0,1,0,0,0,1|1,1,0]=4 551 B9R1.8 c1cnccc1CC#N B25095 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.8 c1cnccc1CC#N H64588 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.8 c1cnccc1CCN H27545 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.8 c1cnccc1CCO L13780 [0,1,0,0,0,1|1,0,0]=3 555 B9R1.8 c1cnccc1\C=N\O A17371 [0,1,0,0,0,1|1,0,1]=4 556 B9R1.15 CCc1c(nccn1)C A11092 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.15 CCc1ccccc1Br B23449 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.15 CCc1ccccc1C L02028 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.15 CCc1ccccc1I A14509 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.15 CCc1ccccc1N A14984 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.15 CCc1ccccc1O L01637 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.15 CCc1ccccc1S L11498 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.15 CCc1ccccc1[Zn+] H58221 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.15 CCc1cnccc1C B21406 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.15 Cc1ccccc1CBr B21717 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.15 Cc1ccccc1CCl A13448 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.15 Cc1ccccc1CN L05243 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.15 Cc1ccccc1CO A12696 [0,1,0,0,0,1|1,0,0]=3 569 B9R1.15 Cc1ccccc1CS A15816 [0,1,0,0,0,1|1,1,0]=4 570 B9R1.15 Cc1ccccc1C[Mg+] H54170 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.15 c1cc(c(nc1)Br)CBr H52311 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.15 c1cc(c(nc1)Br)CCl H52313 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.15 c1cc(c(nc1)Br)CO H52318 [0,1,0,0,0,1|1,0,0]=3 574 B9R1.15 c1cc(c(nc1)CBr)O L19525 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.15 c1cc(c(nc1)Cl)CO H63341 [0,1,0,0,0,1|1,0,0]=3 576 B9R1.15 c1cc(c(nc1)N)CO H50010 [0,1,0,0,0,1|1,0,0]=3 577 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.15 c1ccc(c(c1)CBr)F A12692 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.15 c1ccc(c(c1)CBr)I B21715 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.15 c1ccc(c(c1)CCl)F A11566 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.15 c1ccc(c(c1)CN)Br A12412 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.15 c1ccc(c(c1)CN)Br A18151 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.15 c1ccc(c(c1)CN)F A15623 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.15 c1ccc(c(c1)CO)Br A15700 [0,1,0,0,0,1|1,0,0]=3 589 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [0,1,0,0,0,1|1,0,0]=3 590 B9R1.15 c1ccc(c(c1)CO)F A14791 [0,1,0,0,0,1|1,0,0]=3 591 B9R1.15 c1ccc(c(c1)CO)I L15126 [0,1,0,0,0,1|1,0,0]=3 592 B9R1.15 c1ccc(c(c1)CO)N A13180 [0,1,0,0,0,1|1,0,0]=3 593 B9R1.15 c1ccc(c(c1)CO)O A14410 [0,1,0,0,0,1|1,0,0]=3 594 B9R1.15 c1ccc(c(c1)CO)S L11536 [0,1,0,0,0,1|1,0,0]=3 595 B9R1.15 c1ccc(c(c1)CS)Br H26247 [0,1,0,0,0,1|1,1,0]=4 596 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [0,1,0,0,0,1|1,1,0]=4 597 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.15 c1cncc(c1Cl)CO H66522 [0,1,0,0,0,1|1,0,0]=3 603 B9R1.15 c1cncc(c1N)CO H50033 [0,1,0,0,0,1|1,0,0]=3 604 B9R1.7 c1cc(sc1\C=N\O)Br B24968 [0,2,0,0,0,0|0,0,1]=3 605 B9R1.21 CCc1ccc(o1)C=O L06659 [0,2,0,0,0,0|1,1,0]=4 606 B9R1.21 CCc1ccc(s1)C=O B23711 [0,2,0,0,0,0|1,0,0]=3 607 B9R1.21 CSc1ccc(s1)C=O H61803 [0,2,0,0,0,0|0,0,2]=4 608 B9R1.21 c1cc(oc1CO)C=O A12475 [0,2,0,0,0,0|0,1,0]=3 609 B9R1.21 c1cc(sc1C=O)C#N H64462 [0,2,0,0,0,0|0,0,2]=4 610 B9R1.22 Cc1cc(n(n1)CO)C A15665 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.23 Cc1cc(sc1C)C=O H27712 [0,2,0,0,0,0|0,0,2]=4 612 B9R1.23 c1c(sc(c1Br)Br)C=O A19788 [0,2,0,0,0,0|0,0,2]=4 613 B9R1.35 B(c1ccc(s1)C)(O)O B23138 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.35 B(c1ccc(s1)Cl)(O)O B23193 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [0,2,0,0,0,0|0,0,2]=4 616 B9R1.35 CC(=O)c1ccc(s1)Br A14826 [0,2,0,0,0,0|0,0,2]=4 617 B9R1.35 CC(=O)c1ccc(s1)Cl A11850 [0,2,0,0,0,0|0,0,2]=4 618 B9R1.35 CC(=O)c1ccc(s1)I L17852 [0,2,0,0,0,0|0,0,2]=4 619 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,2,0,0,0,0|0,0,2]=4 620 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,2,0,0,0,0|0,0,2]=4 621 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [0,2,0,0,0,0|0,0,1]=3 622 B9R1.35 Cc1cnc(s1)C(=O)O H63076 [0,2,0,0,0,0|1,0,1]=4 623 B9R1.35 Cc1csc(n1)C(=O)O H63065 [0,2,0,0,0,0|1,0,1]=4 624 B9R1.35 Cc1csc(n1)C(C)C A13532 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.35 c1c(sc(n1)Br)C(=O)O H27203 [0,2,0,0,0,0|1,0,1]=4 626 B9R1.35 c1cc(oc1C(=O)O)Br A14840 [0,2,0,0,0,0|0,1,1]=4 627 B9R1.35 c1cc(sc1C(=O)Cl)Cl H61474 [0,2,0,0,0,0|0,0,2]=4 628 B9R1.35 c1cc(sc1C(=O)O)Br A19242 [0,2,0,0,0,0|0,0,1]=3 629 B9R1.35 c1cc(sc1C(=O)O)Cl A15209 [0,2,0,0,0,0|0,0,1]=3 630 B9R1.35 c1cc(sc1[N+](=O)[O-])Br A15866 [0,2,0,0,0,0|1,0,1]=4 631 B9R1.11 CC(c1cccs1)NC H51109 [0,2,0,0,0,0|1,0,0]=3 632 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.11 CCC(=O)c1ccco1 H26754 [0,2,0,0,0,0|1,1,0]=4 634 B9R1.11 CCC(=O)c1cccs1 L02318 [0,2,0,0,0,0|1,0,0]=3 635 B9R1.11 CCC(=O)c1nccs1 B21711 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.11 CCC(C)c1nccs1 A13483 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [0,2,0,0,0,0|1,0,1]=4 638 B9R1.11 COC(=O)c1ccco1 A14009 [0,2,0,0,0,0|0,1,1]=4 639 B9R1.11 COC(=O)c1cccs1 A12677 [0,2,0,0,0,0|0,0,1]=3 640 B9R1.11 COC(=O)c1nccs1 H63496 [0,2,0,0,0,0|1,0,1]=4 641 B9R1.11 c1cc([nH]c1)\C(=N\O)\N H58959 [0,2,0,0,0,0|1,0,1]=4 642 B9R1.11 c1cc(oc1)\C(=N\O)\N H58071 [0,2,0,0,0,0|0,1,1]=4 643 B9R1.11 c1cc(sc1)C(=O)CBr H51060 [0,2,0,0,0,0|1,0,0]=3 644 B9R1.11 c1cc(sc1)C(=O)NN A11270 [0,2,0,0,0,0|0,0,2]=4 645 B9R1.11 c1cc(sc1)\C(=N\O)\N H54658 [0,2,0,0,0,0|0,0,1]=3 646 B9R1.19 CC(C)(C)C1=CC=CC1 39405 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.19 CC(C)(C)C1=CC=CC1 H26892 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.19 CC(C)(C)C1=CC=CC1 H27638 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.19 CC(C)(C)C1=CC=CC1 H27714 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.19 CC(C)(C)c1ccco1 H55639 [0,2,0,0,0,0|1,1,0]=4 651 B9R1.19 CC(C1=CC=CC1)(C)C H27791 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.19 CS(=O)(=O)c1cccs1 B20940 [0,2,0,0,0,0|1,0,1]=4 653 B9R1.19 C[Si](C)(C)c1cccs1 H61170 [0,2,0,0,0,0|1,1,0]=4 654 B9R1.19 c1cc(sc1)S(=O)(=O)Cl A15553 [0,2,0,0,0,0|1,0,1]=4 655 B9R1.41 B(c1c(ccs1)C)(O)O H53201 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.41 CC(=O)c1c(ccs1)Br L20113 [0,2,0,0,0,0|0,0,2]=4 657 B9R1.41 CC(=O)c1c(ccs1)Cl L20114 [0,2,0,0,0,0|0,0,2]=4 658 B9R1.41 CC(=O)c1c(ccs1)N L10563 [0,2,0,0,0,0|0,0,2]=4 659 B9R1.41 Cc1c(scn1)C(=O)O H32662 [0,2,0,0,0,0|1,0,1]=4 660 B9R1.41 Cc1ccoc1C(=O)O L01763 [0,2,0,0,0,0|0,1,1]=4 661 B9R1.41 Cc1ccsc1C(=O)C L04086 [0,2,0,0,0,0|0,0,2]=4 662 B9R1.41 Cc1ccsc1C(=O)Cl L17989 [0,2,0,0,0,0|0,0,2]=4 663 B9R1.41 Cc1ccsc1C(=O)N L18092 [0,2,0,0,0,0|0,0,2]=4 664 B9R1.41 Cc1ccsc1C(=O)O A19194 [0,2,0,0,0,0|0,0,1]=3 665 B9R1.41 Cn1cccc1C(=O)O L05906 [0,2,0,0,0,0|1,0,1]=4 666 B9R1.41 c1csc(c1Br)C(=O)N L16138 [0,2,0,0,0,0|0,0,2]=4 667 B9R1.41 c1csc(c1Br)C(=O)O A11935 [0,2,0,0,0,0|0,0,1]=3 668 B9R1.41 c1csc(c1Cl)C(=O)O L13560 [0,2,0,0,0,0|0,0,1]=3 669 B9R1.41 c1csc(c1N)C(=O)N L12371 [0,2,0,0,0,0|0,0,2]=4 670 B9R1.12 CCCCC1=CC=CC1 H27576 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.12 CCCCc1ccco1 A13376 [0,2,0,0,0,0|1,1,0]=4 672 B9R1.12 CCCCc1cccs1 A12740 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.12 c1cc(oc1)CN=C=S A19410 [0,2,0,0,0,0|0,2,0]=4 674 B9R1.13 CC(=O)Cc1ccco1 B22171 [0,2,0,0,0,0|0,1,1]=4 675 B9R1.13 CC(C)Cc1nccs1 A13759 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.13 CN(C)CC1=CC=CC1 L07915 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.13 c1c(nc[nH]1)CC(=O)O B22473 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.13 c1cc(sc1)CC(=O)Cl L09323 [0,2,0,0,0,0|0,0,1]=3 679 B9R1.13 c1cc(sc1)CC(=O)N L19221 [0,2,0,0,0,0|0,0,1]=3 680 B9R1.13 c1cc(sc1)CC(=O)O A10394 [0,2,0,0,0,0|0,0,0]=2 681 B9R1.13 c1cc(sc1)CC(=S)N H58178 [0,2,0,0,0,0|0,1,0]=3 682 B9R1.13 c1cscc1CC(=O)O A10700 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.33 Cc1c(scn1)CCO A13567 [0,2,0,0,0,0|1,0,0]=3 684 B9R1.33 c1cnn(c1N)CCO H66066 [0,2,0,0,0,0|2,0,0]=4 685 B9R1.14 COc1ccsc1C=O H33940 [0,2,0,0,0,0|0,0,2]=4 686 B7R1.3 c1ccc(cc1)S A15916 [0,0,1,1,0,0|1,0,1]=4 687 B7R1.3 c1ccnc(c1)S A11741 [0,0,1,1,0,0|2,0,0]=4 688 B7R1.24 C1C=CC=CC=C1 39244 [0,0,1,1,0,0|2,0,0]=4 689 B7R1.24 C1C=CC=CC=C1 A17064 [0,0,1,1,0,0|2,0,0]=4 690 B9R2.3 c1csc2c1scc2 H30637 [0,1,0,1,0,0|0,1,1]=4