0 B8R1.1 CCc1[nH]cc(n1)C A15798 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.1 CCc1cc(n[nH]1)N H50782 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CCc1cc(n[nH]1)N H51026 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CCc1ccc(s1)C B22640 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.1 CCc1nc(cs1)C A15642 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.1 CCc1nnc(s1)N L06915 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CCn1cc[n+](c1)C H26901 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CCn1cc[n+](c1)C H26913 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CCn1cc[n+](c1)C H27232 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 CCn1cc[n+](c1)C H27571 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 CCn1cc[n+](c1)C H27651 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CCn1cc[n+](c1)C H59277 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CCn1cc[n+](c1)C H59404 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CCn1cc[n+](c1)C H59448 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CCn1cc[n+](c1)C H59480 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CCn1cc[n+](c1)C H59493 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CCn1cc[n+](c1)C L19761 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CCn1cc[n+](c1)C L19762 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CCn1cc[n+](c1)C L19763 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CCn1cc[n+](c1)C L19764 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 Cc1cc(no1)CO H61948 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 Cc1cc(on1)CO H63114 [0,0,0,0,0,0|3,1,0]=4 22 B8R1.1 Cc1ccc(o1)C=O A13264 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.1 Cc1ccc(o1)SC B21998 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.1 Cc1ccc(s1)C=O A11119 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.1 Cc1nc(cs1)CCl A14902 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 Cc1nnc(o1)CN H50162 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 c1c(csc1C=O)Br A13304 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.1 c1cc(sc1CCl)Cl H54361 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 c1cc(sc1CO)Br H61493 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.1 C1C=CC=C1CO 39257 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 CCC1=CC=CC1 39253 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.1 CCC1=CC=CC1 H27592 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 CCC1=CC=CC1 H27618 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.1 CCC1=CC=CC1 H27769 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.1 CCC1=NCCO1 B23287 [1,0,0,0,0,0|0,1,2]=4 36 B7R1.1 CCc1[nH]ccn1 B24090 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.1 CCc1ccco1 A15520 [1,0,0,0,0,0|1,1,0]=3 38 B7R1.1 CCc1cccs1 A13372 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.1 COc1ccco1 A15593 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.1 COc1cccs1 A10455 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.1 COc1nccs1 B25655 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.1 CSc1c[nH]cn1 H63990 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CSc1cccs1 A11763 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.1 CSc1nccs1 B25137 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.1 C[Mn]C1=CC=CC1 47125 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 c1c(nc[nH]1)CO L20182 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 c1cc(oc1)CN B23975 [1,0,0,0,0,0|2,1,0]=4 48 B7R1.1 c1cc(oc1)CO A10968 [1,0,0,0,0,0|2,1,0]=4 49 B7R1.1 c1cc(oc1)CS B22380 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.1 c1cc(sc1)C#N A11930 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.1 c1cc(sc1)C=O A14344 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.1 c1cc(sc1)CN A11700 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 c1cc(sc1)CO A15768 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 c1cnc([nH]1)C=O L13883 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 c1csc(n1)C#N H63425 [1,0,0,0,0,0|1,0,1]=3 56 B7R1.1 c1csc(n1)C=O H63329 [1,0,0,0,0,0|1,0,1]=3 57 B7R1.2 C1C(=N)N=C(S1)N L05844 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.2 C1C(=O)N=C(S1)N B21461 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.2 CC1=CCC(=O)O1 L07602 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.2 Cc1c[nH]c(n1)C A11949 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.2 Cc1cc(n[nH]1)C A10157 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.2 Cc1cc(on1)C A12217 [1,0,0,0,0,0|2,1,0]=4 63 B7R1.2 Cc1ccc(o1)C A12833 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.2 Cc1ccc(s1)C A10869 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.2 Cc1ccc(s1)Cl B21657 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.2 Cc1cnc(s1)Br H63951 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.2 Cc1cnc(s1)N L11039 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.2 Cc1csc(n1)C A13604 [1,0,0,0,0,0|0,0,0]=1 69 B7R1.2 Cc1csc(n1)N A14847 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.2 Cc1csc(n1)S A19520 [1,0,0,0,0,0|1,0,0]=2 71 B7R1.2 Cc1nnc(s1)C A17227 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.2 Cn1ccc(n1)I H66356 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.2 Cn1ccc(n1)N H30935 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.2 c1c(csc1Br)Br L13591 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.2 c1c(nc(s1)Br)Br H60230 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.2 c1c(nc(s1)N)N H65434 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.7 CCNc1csc(n1)N H63633 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.21 CCc1ccc(o1)C=O L06659 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.21 CCc1ccc(s1)C=O B23711 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.22 Cc1cc(n(n1)CO)C A15665 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.23 CCC1N=C(C(S1)C)C H26960 [0,1,0,0,0,0|0,0,2]=3 82 B9R1.23 CCc1nc(c(o1)C)C H27470 [0,1,0,0,0,0|0,1,0]=2 83 B9R1.23 Cc1cc(sc1C)C=O H27712 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.35 CC1=CC(=CC1)C(C)C L19126 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.35 CN(C)c1nc(=S)ss1 B20574 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,1,0,0,0,0|1,0,1]=3 88 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.35 Cc1csc(n1)C(=O)O H63065 [0,1,0,0,0,0|1,0,1]=3 91 B9R1.35 Cc1csc(n1)C(C)C A13532 [0,1,0,0,0,0|0,0,0]=1 92 B9R1.133 CCC1=NC(CO1)(C)C B22117 [0,1,0,0,0,0|0,1,2]=4 93 B7R0.3 CCC(=O)SCC=C B22532 [0,0,1,0,0,0|1,0,2]=4 94 B7R0.4 CCC\C=C\C(=O)C A19086 [0,0,1,0,0,0|2,0,1]=4 95 B9R1.1 CCc1ccc(cc1)Br A13013 [0,0,0,0,0,1|3,0,0]=4 96 B9R1.1 CCc1ccc(cc1)C L02120 [0,0,0,0,0,1|2,0,0]=3 97 B9R1.1 CCc1ccc(cc1)Cl L07931 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.1 CCc1ccc(cc1)F L05940 [0,0,0,0,0,1|3,0,0]=4 99 B9R1.1 CCc1ccc(cc1)I A14138 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.1 CCc1ccc(cc1)N B24652 [0,0,0,0,0,1|3,0,0]=4 101 B9R1.1 CCc1ccc(cc1)O B23433 [0,0,0,0,0,1|3,0,0]=4 102 B9R1.1 CCc1ccc(cc1)S B25026 [0,0,0,0,0,1|3,0,0]=4 103 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [0,0,0,0,0,1|3,0,0]=4 104 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [0,0,0,0,0,1|3,0,0]=4 105 B9R1.1 CCc1ccc(nc1)C L06901 [0,0,0,0,0,1|1,0,0]=2 106 B9R1.1 CCc1cnc(nc1)Cl H26856 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.1 COc1ccc(cn1)Br L20017 [0,0,0,0,0,1|3,0,0]=4 108 B9R1.1 COc1ccc(cn1)Cl H59376 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.1 COc1ccc(cn1)F H30991 [0,0,0,0,0,1|3,0,0]=4 110 B9R1.1 COc1ccc(cn1)I H50135 [0,0,0,0,0,1|3,0,0]=4 111 B9R1.1 COc1ccc(cn1)N H27528 [0,0,0,0,0,1|3,0,0]=4 112 B9R1.1 COc1ccc(nn1)Cl A14173 [0,0,0,0,0,1|3,0,0]=4 113 B9R1.1 COc1ncc(cn1)Br H31918 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.1 CSc1ccc(cn1)Br H27596 [0,0,0,0,0,1|3,0,0]=4 115 B9R1.1 Cc1ccc(cc1)CBr A13297 [0,0,0,0,0,1|3,0,0]=4 116 B9R1.1 Cc1ccc(cc1)CCl A17183 [0,0,0,0,0,1|3,0,0]=4 117 B9R1.1 Cc1ccc(cc1)CN A13768 [0,0,0,0,0,1|3,0,0]=4 118 B9R1.1 Cc1ccc(cc1)CO A15315 [0,0,0,0,0,1|3,0,0]=4 119 B9R1.1 Cc1ccc(cc1)CS A10467 [0,0,0,0,0,1|3,0,0]=4 120 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.1 Cc1ccc(cc1)OC A11572 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.1 Cc1ccc(cc1)SC L02933 [0,0,0,0,0,1|3,0,0]=4 123 B9R1.1 Cc1ccc(cn1)C#N L09875 [0,0,0,0,0,1|2,0,1]=4 124 B9R1.1 Cc1ccc(cn1)C=O H66926 [0,0,0,0,0,1|2,0,1]=4 125 B9R1.1 Cc1ccc(nc1)C#N H64539 [0,0,0,0,0,1|2,0,1]=4 126 B9R1.1 c1cc(ncc1CCl)Cl L19284 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.1 c1cc(ncc1CN)Cl L19283 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.1 c1cc(ncc1CO)Br H61375 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.1 c1cc(ncc1CO)Cl L19285 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.1 c1cc(ncc1CO)N H33416 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.2 CCc1cccc(c1)Br A12258 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.2 CCc1cccc(c1)C L18788 [0,0,0,0,0,1|2,0,0]=3 133 B9R1.2 CCc1cccc(c1)O B23470 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.2 CCc1cccc(n1)N A19146 [0,0,0,0,0,1|2,0,0]=3 135 B9R1.2 CCc1ccnc(c1)N A18754 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.2 COc1cccc(n1)Br H30593 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.2 COc1cccc(n1)Cl L05997 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.2 COc1cccc(n1)F H32994 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.2 COc1cccc(n1)N H66436 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.2 COc1cncc(n1)N H61990 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.2 CSc1nccc(n1)Br H64124 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.2 CSc1nccc(n1)Cl B21481 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.2 Cc1cccc(c1)CBr B24731 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.2 Cc1cccc(c1)CCl A10784 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.2 Cc1cccc(c1)CN L04922 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.2 Cc1cccc(c1)CO B20875 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.2 Cc1cccc(c1)CS L12043 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.2 Cc1cccc(c1)C[Mg+] H54617 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.2 Cc1cccc(c1)OC B21455 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.2 Cc1cccc(n1)C#N H64148 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.2 Cc1cccc(n1)C=O H26841 [0,0,0,0,0,1|2,0,1]=4 152 B9R1.2 Cc1cccc(n1)CBr H55438 [0,0,0,0,0,1|2,0,0]=3 153 B9R1.2 Cc1cccc(n1)CO H26794 [0,0,0,0,0,1|2,0,0]=3 154 B9R1.2 Cc1cccc(n1)OC H25772 [0,0,0,0,0,1|2,0,0]=3 155 B9R1.2 Cc1ccnc(n1)SC H28795 [0,0,0,0,0,1|2,0,0]=3 156 B9R1.2 c1cc(nc(c1)Br)CO H56123 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.2 c1cc(nc(c1)N)CO H33485 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.2 c1cnc(nc1N)CCl H66760 [0,0,0,0,0,1|3,0,0]=4 159 B6R0.1 CCC(=O)OC=C L12931 [1,0,1,0,0,0|1,1,0]=4 160 B6R0.1 CCC(=O)SCC B24918 [1,0,1,0,0,0|1,0,1]=4 161 B6R0.1 CCC(=O)\C=C\C H27445 [1,0,1,0,0,0|1,0,0]=3 162 B6R0.1 CC\C=C(/C)\C=O A15729 [1,0,1,0,0,0|0,1,0]=3 163 B6R0.1 C\C=C\C(=O)OC A15363 [1,0,1,0,0,0|2,0,0]=4 164 B6R0.2 CC(=C)OC(=O)C A15618 [1,0,1,0,0,0|1,1,0]=4 165 B6R0.2 CC(=CC(=C)C)C H35300 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.4 CC(=O)\C=C\OC A11235 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.4 CCC#CC(=C)C B20560 [1,0,1,0,0,0|1,0,1]=4 168 B6R0.4 CCCSC(=O)C B21875 [1,0,1,0,0,0|1,0,1]=4 169 B6R0.4 CCSCC(=O)C L04142 [1,0,1,0,0,0|1,0,1]=4 170 B6R0.4 CC\C=C\C(=O)O A12689 [1,0,1,0,0,0|2,0,0]=4 171 B6R0.6 C\C=C\C=C\CO A12660 [1,0,1,0,0,0|2,0,0]=4 172 B6R1.2 CC1=CC=CC1 H27241 [2,0,0,0,0,0|2,0,0]=4 173 B6R1.2 CC1=CCC=C1 H27464 [2,0,0,0,0,0|2,0,0]=4 174 B6R1.2 CC1=NCCS1 L01329 [2,0,0,0,0,0|0,0,2]=4 175 B6R1.2 Cc1[nH]ccn1 A17063 [2,0,0,0,0,0|1,0,0]=3 176 B6R1.2 Cc1c[nH]cn1 B24139 [2,0,0,0,0,0|1,0,0]=3 177 B6R1.2 Cc1c[nH]cn1 L20184 [2,0,0,0,0,0|1,0,0]=3 178 B6R1.2 Cc1cc[nH]n1 L01618 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.2 Cc1ccco1 B23692 [2,0,0,0,0,0|1,1,0]=4 180 B6R1.2 Cc1cccs1 A12736 [2,0,0,0,0,0|1,0,0]=3 181 B6R1.2 Cc1ccsc1 A13394 [2,0,0,0,0,0|1,0,0]=3 182 B6R1.2 Cc1cncs1 L15879 [2,0,0,0,0,0|2,0,0]=4 183 B6R1.2 Cc1cscn1 A15428 [2,0,0,0,0,0|0,0,0]=2 184 B6R1.2 Cn1cccn1 L14831 [2,0,0,0,0,0|2,0,0]=4 185 B6R1.2 Cn1cncn1 L18337 [2,0,0,0,0,0|2,0,0]=4 186 B6R1.2 c1c(nc[nH]1)Br H64972 [2,0,0,0,0,0|2,0,0]=4 187 B6R1.2 c1cc(sc1)Br A11959 [2,0,0,0,0,0|2,0,0]=4 188 B6R1.2 c1cc(sc1)Cl A10390 [2,0,0,0,0,0|2,0,0]=4 189 B6R1.2 c1cc(sc1)I A12898 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 c1cc(sc1)S B22642 [2,0,0,0,0,0|2,0,0]=4 191 B6R1.2 c1cc(sc1)[Zn+] H58397 [2,0,0,0,0,0|2,0,0]=4 192 B6R1.2 c1cnc([nH]1)Br H52553 [2,0,0,0,0,0|2,0,0]=4 193 B6R1.2 c1cnc([nH]1)Cl H51863 [2,0,0,0,0,0|2,0,0]=4 194 B6R1.2 c1cnc([nH]1)I H51868 [2,0,0,0,0,0|2,0,0]=4 195 B6R1.2 c1cnc([nH]1)N H25999 [2,0,0,0,0,0|2,0,0]=4 196 B6R1.2 c1cnc([nH]1)S L01346 [2,0,0,0,0,0|2,0,0]=4 197 B6R1.2 c1coc(n1)N H34360 [2,0,0,0,0,0|1,1,0]=4 198 B6R1.2 c1csc(n1)Br A14838 [2,0,0,0,0,0|1,0,0]=3 199 B6R1.2 c1csc(n1)Cl H50155 [2,0,0,0,0,0|1,0,0]=3 200 B6R1.2 c1csc(n1)N A12026 [2,0,0,0,0,0|1,0,0]=3 201 B6R1.2 c1csc(n1)N H65068 [2,0,0,0,0,0|1,0,0]=3 202 B6R1.2 c1csc(n1)S L07058 [2,0,0,0,0,0|1,0,0]=3 203 B6R1.2 c1csc(n1)[Zn+] H58497 [2,0,0,0,0,0|1,0,0]=3 204 B6R1.2 c1cscc1Br A14022 [2,0,0,0,0,0|2,0,0]=4 205 B6R1.2 c1cscc1Cl B22669 [2,0,0,0,0,0|2,0,0]=4 206 B6R1.2 c1cscc1I L17581 [2,0,0,0,0,0|2,0,0]=4 207 B6R1.2 c1nnc(s1)N L01244 [2,0,0,0,0,0|2,0,0]=4 208 B6R1.2 c1nnc(s1)S B22556 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.7 CC(=O)c1cccs1 A13062 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.7 CC(=O)c1nccs1 A11266 [1,1,0,0,0,0|0,0,1]=3 211 B8R1.7 CC(C)c1[nH]ccn1 A13307 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.7 CC(c1cccs1)N H26052 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.7 C[C@H](c1cccs1)O H26936 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.7 c1csc(n1)C(=O)O H63620 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.8 CCCc1ccco1 B21703 [1,1,0,0,0,0|1,1,0]=4 216 B8R1.8 CCCc1cccs1 L03052 [1,1,0,0,0,0|1,0,0]=3 217 B8R1.8 CCCc1nccs1 A11574 [1,1,0,0,0,0|0,0,0]=2 218 B8R1.8 CSCc1ccco1 B21691 [1,1,0,0,0,0|1,1,0]=4 219 B8R1.8 c1c(nc[nH]1)CCN L09198 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.8 c1cc(sc1)CC#N A15047 [1,1,0,0,0,0|1,0,1]=4 221 B8R1.8 c1cc(sc1)CCN A10920 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.8 c1cc(sc1)CCO B21562 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.11 Cc1ccsc1CN L18094 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.11 Cn1ccnc1CO H64006 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.18 Cc1[nH]c(c(n1)Cl)Cl B20667 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.18 Cc1c(oc(n1)C)C A10328 [1,1,0,0,0,0|0,1,0]=3 227 B8R1.18 Cc1c(sc(n1)C)C A19046 [1,1,0,0,0,0|0,0,0]=2 228 B8R1.18 Cc1c(sc(n1)N)C B20803 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.18 Cc1c(sc(n1)N)C H59878 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.18 Cc1c(sc(n1)S)C H65085 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.18 Cc1cc(n(n1)C)C A12504 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.18 Cc1cc(n(n1)C)Cl A11730 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.18 Cc1cc(n(n1)C)N A12980 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.18 Cc1cc(sc1Br)Br L02693 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.18 Cc1cc(sc1Cl)Cl H27129 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.50 Cc1ccc(n1C)C B25493 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.1 CCOc1ccc(cn1)Br H27197 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.1 CCOc1ccc(cn1)I H50156 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.1 Cc1ccc(cc1)CCO B20918 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.3 CCc1ccc(cc1)CC A13343 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.3 CCc1ccc(cc1)CCl H27900 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.3 CCc1ccc(cc1)CO H30459 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.3 CCc1ccc(cc1)OC A10391 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,1,0,0,0,1|1,0,1]=4 249 B10R1.25 CCc1c(nc(cn1)C)C H27383 [0,1,0,0,0,1|1,0,0]=3 250 B10R1.25 CCc1ccc(nc1N)C A19048 [0,1,0,0,0,1|1,0,0]=3 251 B10R1.2 CCc1cccc(c1I)C A10839 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.2 CCc1cccc(c1N)C A12796 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.2 CCc1cccc(c1O)C B25213 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.10 CCOc1cccc(n1)Cl B24984 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.10 Cc1cccc(c1)CNC H63231 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.30 Cc1ccc(c(n1)OC)F H64683 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.30 Cc1ccc(c(n1)OC)N H61310 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.113 Cc1cccc(c1)C(C)O H32784 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [0,1,0,0,0,1|1,0,1]=4 260 B10R1.172 CCc1cccc(c1)CC 43369 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.172 CNc1cccc(n1)OC L20048 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.172 COc1cccc(n1)OC B22746 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.172 COc1ccnc(n1)OC H25799 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.172 c1cc(nc(c1)CO)CO L02527 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.16 CCCCc1ccc(s1)C B24943 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.130 Cc1cc(n(n1)CCN)C H50333 [0,2,0,0,0,0|2,0,0]=4 267 B10R1.131 CCCC1=NN(C(=O)C1)C L05425 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.59 Cc1cc(n(n1)C(C)C)N H66742 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.58 CC(C)c1[nH]c(c(n1)Br)Br H63985 [0,2,0,0,0,0|2,0,0]=4 270 B10R1.55 Cc1nc(cs1)C(C)(C)C A14148 [0,2,0,0,0,0|2,0,0]=4 271 B8R1.4 Cc1ccnc(n1)S A13145 [0,0,1,1,0,0|1,0,1]=4 272 B8R1.2 CCc1ccccn1 A17352 [0,0,1,1,0,0|1,0,1]=4 273 B8R1.3 Cc1cnc(cn1)C A12352 [0,0,1,1,0,0|1,0,1]=4 274 B6R0.3 CC(=C)C(=O)OC A13030 [0,0,1,0,1,0|1,1,0]=4 275 B6R0.3 CCC(=O)C(=O)C A13116 [0,0,1,0,1,0|1,1,0]=4 276 B6R0.3 CCC(C(=O)C)S B21797 [0,0,1,0,1,0|1,0,1]=4