0 B6R1.2 Brc1c[nH]cn1 PI-31938 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 Brc1ccco1 PI-14449 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 Brc1cccs1 PI-11144 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 Brc1cscc1 PI-10760 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 Brc1cscn1 PI-38310 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 C1(=NNN=N1)N PI-33520 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 C1=C(C=NN1)Br PI-31345 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.2 C1=C(C=NN1)Cl PI-33036 [0,0,0,0,0,0|1,0,0]=1 8 B6R1.2 C1=C(C=NN1)I PI-21303 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.2 C1=C(C=NO1)Br PI-39735 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 C1=C(NN=C1)N PI-10514 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 C1=C(ON=C1)N PI-34865 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 C1=C(SC=N1)Br PI-45402 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 C1=CNC=C1F PI-49258 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 C1=CSC=C1F PI-49323 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 C1=NC(=S)NN1 PI-11934 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 C1=NN(C=N1)N PI-11685 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 C1=NN=CN1N PI-11495 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 C1=NNC(=N1)Cl PI-13235 [0,0,0,0,0,0|4,0,0]=4 19 B6R1.2 C1=NNC(=N1)N PI-45748 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 C1=NNC(=S)S1 PI-11025 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 C1=NNN=C1[S-] PI-18721 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 C1=NSC(=N1)N PI-31532 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 CC1=CC=CS1 PI-11146 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 CC1=CN=CN1 PI-44758 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 CC1=COC=C1 PI-41011 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 CC1=NNN=N1 PI-31189 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,0,0,0|1,0,3]=4 29 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,0,0,0|1,0,3]=4 30 B6R1.2 CN1C=NN=C1 PI-36997 [0,0,0,0,0,0|1,0,1]=2 31 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,0,0,0|1,0,3]=4 32 B6R1.2 Cc1c[nH]nc1 PI-34810 [0,0,0,0,0,0|0,0,0]=0 33 B6R1.2 Cc1cc[nH]n1 PI-31344 [0,0,0,0,0,0|2,0,0]=2 34 B6R1.2 Cc1cncs1 PI-33497 [0,0,0,0,0,0|2,0,0]=2 35 B6R1.2 Cc1nc[nH]n1 PI-40309 [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 Cc1nccs1 PI-11132 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 ClC1=CSC=C1 PI-11160 [0,0,0,0,0,0|3,0,0]=3 38 B6R1.2 ClC1=NC=NS1 PI-31535 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 Cn1cccn1 PI-37584 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 Cn1cncc1 PI-31809 [0,0,0,0,0,0|2,0,0]=2 41 B6R1.2 Cn1cncn1 PI-37321 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 Ic1c[nH]cn1 PI-31936 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 Ic1cc[nH]n1 PI-39060 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 Ic1cccs1 PI-11145 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 NC1=CN=CS1 PI-33967 [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 NC1=NOC=C1 PI-13009 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 Nc1cnns1 PI-12021 [0,0,0,0,0,0|2,0,1]=3 48 B6R1.2 Nc1nncs1 PI-16257 [0,0,0,0,0,0|4,0,0]=4 49 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,0,0,0|3,0,1]=4 50 B6R1.2 Sc1cccs1 PI-27908 [0,0,0,0,0,0|4,0,0]=4 51 B5R1.1 C1=CSC=C1 PI-45119 [1,0,0,0,0,0|2,0,0]=3 52 B5R1.1 C1=CSC=N1 PI-45012 [1,0,0,0,0,0|2,0,0]=3 53 B5R1.1 C1=CSN=C1 PI-41498 [1,0,0,0,0,0|1,0,0]=2 54 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,0,0,0|1,0,1]=3 55 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,0,0,0|1,0,1]=3 56 B5R1.1 C1COC=C1 PI-45414 [1,0,0,0,0,0|2,0,1]=4 57 B5R1.1 N1N=CN=C1 PI-37189 [1,0,0,0,0,0|1,0,0]=2 58 B5R1.1 O1C=NC=C1 PI-37188 [1,0,0,0,0,0|2,0,0]=3 59 B5R1.1 O1N=CC=C1 PI-37186 [1,0,0,0,0,0|1,0,0]=2 60 B5R1.1 c1ccn[nH]1 PI-12159 [1,0,0,0,0,0|0,0,0]=1 61 B5R1.1 c1cnn[nH]1 PI-31137 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.1 BrCc1cscc1 PI-14311 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.1 C#Cc1cscc1 PI-39299 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.1 C1=C(C=NN1)C#N PI-40529 [0,1,0,0,0,0|0,0,1]=2 65 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [0,1,0,0,0,0|0,0,1]=2 66 B7R1.1 C1=C(N=CS1)CCl PI-11980 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.1 C1=C(N=CS1)CCl PI-48844 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.1 C1=C(N=NS1)C=O PI-29425 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.1 C1=C(NC=N1)C#N PI-40207 [0,1,0,0,0,0|2,0,1]=4 70 B7R1.1 C1=C(NC=N1)C=O PI-34783 [0,1,0,0,0,0|2,0,1]=4 71 B7R1.1 C1=C(NC=N1)CO PI-31940 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.1 C1=C(SC=N1)CN PI-45069 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.1 C1=C(SC=N1)CN PI-45398 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.1 C1=C(SC=N1)CO PI-12202 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 C1=CNC=C1C=O PI-34088 [0,1,0,0,0,0|1,0,1]=3 76 B7R1.1 C1=COC(=C1)CS PI-48474 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.1 C1=CSC(=C1)CCl PI-50490 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.1 C1=CSC(=C1)CO PI-11151 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.1 C1=CSC=C1C#N PI-20214 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.1 C1=CSC=C1CN PI-31789 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.1 C1=NN(C=N1)CCl PI-32972 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.1 C1=N[NH]C=C1CO PI-39407 [0,1,0,0,0,0|0,0,0]=1 83 B7R1.1 CCC1=CC=CS1 PI-10993 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.1 CCC1=CSC=C1 PI-35073 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 CCN1C=CC=C1 PI-12065 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.1 CCn1cncn1 PI-37585 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.1 COc1cccs1 PI-33573 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.1 COc1cscc1 PI-27269 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.1 CSC1=CSC=C1 PI-29322 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.1 CSc1nnn[nH]1 PI-31142 [0,1,0,0,0,0|2,0,1]=4 91 B7R1.1 ClCc1nnn[nH]1 PI-10145 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.1 NCC1=CN=NN1 PI-36481 [0,1,0,0,0,0|1,0,1]=3 93 B7R1.1 NCc1cccs1 PI-11152 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [0,1,0,0,0,0|2,0,1]=4 95 B7R1.1 O=Cc1cnco1 PI-38922 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.1 O=Cc1cncs1 PI-25019 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.1 O=Cc1cscc1 PI-10763 [0,1,0,0,0,0|2,0,1]=4 98 B7R1.1 OCc1c[nH]cn1 PI-27482 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.1 OCc1cnco1 PI-38536 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.1 OCc1cscc1 PI-29874 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.1 OCc1cscn1 PI-25015 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.2 BrC1=CC(Br)=NN1 PI-46828 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.2 Brc1c[nH]c(n1)C PI-14475 [0,1,0,0,0,0|3,0,0]=4 104 B7R1.2 C1=C(NNC1=O)N PI-30770 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.2 C1=C(SC(=N1)Cl)Br PI-45403 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.2 C1=C(SC(=N1)N)Br PI-27787 [0,1,0,0,0,0|3,0,0]=4 107 B7R1.2 C1=C(SC(=N1)N)Br PI-33872 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.2 C1=C(SC=C1Br)Br PI-26554 [0,1,0,0,0,0|3,0,0]=4 109 B7R1.2 CC1=CC(=CS1)Br PI-22178 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.2 CC1=CC=C(S1)Br PI-11164 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.2 CC1=CN=C(S1)Br PI-45050 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.2 CC1=CN=C(S1)Cl PI-11122 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.2 CC1=CSC(=N1)Br PI-40542 [0,1,0,0,0,0|3,0,0]=4 120 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.2 CC1=CSC(=S)N1 PI-30630 [0,1,0,0,0,0|3,0,0]=4 122 B7R1.2 CC1=CSC(Cl)=N1 PI-40543 [0,1,0,0,0,0|3,0,0]=4 123 B7R1.2 CC1=NC(=S)NN1 PI-49044 [0,1,0,0,0,0|3,0,0]=4 124 B7R1.2 CC1=NC=C(N1)I PI-45234 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.2 CC1=NC=C(S1)Br PI-44984 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.2 CC1=NN=C(Br)O1 PI-39669 [0,1,0,0,0,0|3,0,0]=4 127 B7R1.2 CC1=NN=C(C)N1 PI-41438 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.2 CC1=NN=C(S1)Br PI-22175 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.2 CC1=NN=C(S1)N PI-30061 [0,1,0,0,0,0|3,0,0]=4 130 B7R1.2 CC1=NNC(=S)S1 PI-11129 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.2 CN1C=C(C=N1)Br PI-34811 [0,1,0,0,0,0|1,0,0]=2 132 B7R1.2 CN1C=C(C=N1)Cl PI-34753 [0,1,0,0,0,0|1,0,0]=2 133 B7R1.2 CN1C=C(C=N1)I PI-31346 [0,1,0,0,0,0|1,0,0]=2 134 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,1,0,0,0,0|1,0,0]=2 136 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.2 Cc1ccc(s1)Cl PI-29205 [0,1,0,0,0,0|3,0,0]=4 139 B7R1.2 Cc1ccn(n1)C PI-37587 [0,1,0,0,0,0|2,0,0]=3 140 B7R1.2 Cc1cnc(s1)N PI-31294 [0,1,0,0,0,0|2,0,0]=3 141 B7R1.2 Cc1csc(n1)N PI-31078 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.2 Cc1nnc(o1)N PI-38338 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.2 Cc1noc(c1)N PI-30153 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.2 Cc1nsc(N)c1 PI-25640 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.2 Cc1scc(c1)C PI-29816 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.2 ClC1=CN=C(N)S1 PI-46774 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.2 Cn1cc(nc1)I PI-25810 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.2 Cn1cc[n+](c1)C PI-38784 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.2 Cn1ccc(I)n1 PI-37412 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.2 Cn1ccc(n1)Br PI-38258 [0,1,0,0,0,0|3,0,0]=4 151 B7R1.2 Cn1ccc(n1)N PI-38170 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.2 Cn1nnc(c1)Br PI-38305 [0,1,0,0,0,0|2,0,0]=3 153 B7R1.2 NC1=NC=C(C)N1 PI-40524 [0,1,0,0,0,0|2,0,0]=3 154 B7R1.2 Nc1noc(c1)C PI-33190 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.4 Brc1[nH]nnc1Br PI-36567 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.4 Brc1c[nH]nc1N PI-30194 [0,1,0,0,0,0|1,0,0]=2 157 B7R1.4 Brc1cocc1Br PI-19445 [0,1,0,0,0,0|3,0,0]=4 158 B7R1.4 Brc1cscc1Br PI-10758 [0,1,0,0,0,0|3,0,0]=4 159 B7R1.4 Brc1cscc1C PI-39112 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.4 Brc1sccc1Br PI-11154 [0,1,0,0,0,0|3,0,0]=4 161 B7R1.4 C1(=NON=C1N)N PI-48849 [0,1,0,0,0,0|3,0,0]=4 162 B7R1.4 C1(=NSN=C1Cl)Cl PI-12673 [0,1,0,0,0,0|3,0,0]=4 163 B7R1.4 C1=C(C(=CN1)F)F PI-49257 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.4 C1=C(C(=CS1)F)F PI-49324 [0,1,0,0,0,0|3,0,0]=4 165 B7R1.4 C1=C(C(=CS1)N)N PI-45454 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.4 C1=COC(=C1Br)Br PI-17204 [0,1,0,0,0,0|3,0,0]=4 167 B7R1.4 C1=CSC(=C1Br)Cl PI-11159 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.4 C1=NC(=C(N1)Cl)Cl PI-46980 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.4 CC1=C(Br)NC=N1 PI-39631 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.4 CC1=C(OC=N1)C PI-35004 [0,1,0,0,0,0|2,0,0]=3 171 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.4 CC1=C(SC=N1)Br PI-50077 [0,1,0,0,0,0|3,0,0]=4 173 B7R1.4 CC1=C(SC=N1)C PI-11140 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,0,0,0|2,0,0]=3 175 B7R1.4 CC1=CNN=C1C PI-41141 [0,1,0,0,0,0|0,0,0]=1 176 B7R1.4 CC1=CSC=C1C PI-35053 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.4 CC1=NC=CN1C PI-31811 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.4 CC1=NNC=C1Br PI-13601 [0,1,0,0,0,0|1,0,0]=2 179 B7R1.4 CC1=NNC=C1I PI-33035 [0,1,0,0,0,0|1,0,0]=2 180 B7R1.4 CN1C(=S)N=NN1 PI-11702 [0,1,0,0,0,0|2,0,1]=4 181 B7R1.4 CN1C=CN=C1Cl PI-20160 [0,1,0,0,0,0|2,0,0]=3 182 B7R1.4 CN1C=CNC1=S PI-18739 [0,1,0,0,0,0|2,0,0]=3 183 B7R1.4 CN1C=NC=C1Cl PI-11701 [0,1,0,0,0,0|2,0,0]=3 184 B7R1.4 CN1C=NC=C1Cl PI-12996 [0,1,0,0,0,0|2,0,0]=3 185 B7R1.4 CN1C=NC=C1I PI-25811 [0,1,0,0,0,0|2,0,0]=3 186 B7R1.4 Cc1ccsc1Br PI-10990 [0,1,0,0,0,0|2,0,0]=3 187 B7R1.4 Clc1sccc1Cl PI-26200 [0,1,0,0,0,0|3,0,0]=4 188 B7R1.4 Cn1ccnc1Br PI-14474 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.4 Cn1nccc1C PI-37575 [0,1,0,0,0,0|2,0,0]=3 190 B7R1.4 Cn1nccc1N PI-28081 [0,1,0,0,0,0|3,0,0]=4 191 B7R1.4 Cn1nccc1O PI-37212 [0,1,0,0,0,0|3,0,0]=4 192 B7R1.4 Cn1nnnc1N PI-10142 [0,1,0,0,0,0|2,0,1]=4 193 B7R1.4 Ic1[nH]cnc1I PI-40527 [0,1,0,0,0,0|3,0,0]=4 194 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,0,0,0|1,0,2]=4 195 B7R1.4 Oc1cscc1O PI-33661 [0,1,0,0,0,0|3,0,0]=4 196 B7R1.4 SC1=C(C)OC=C1 PI-14227 [0,1,0,0,0,0|3,0,0]=4 197 B7R1.4 SC1=NN=CN1C PI-18392 [0,1,0,0,0,0|1,0,1]=3 198 B5R0.1 BrCC=C(C)C PI-12725 [0,0,1,0,0,0|2,0,1]=4 199 B5R0.1 CC(=C)CCBr PI-40493 [0,0,1,0,0,0|2,0,1]=4 200 B5R0.1 CC=CC(=O)C PI-45740 [0,0,1,0,0,0|3,0,0]=4 201 B5R0.2 CCO\C=C\C PI-12734 [0,0,1,0,0,0|2,0,1]=4 202 B5R1.2 C1C(=O)CN1 PI-48919 [0,0,0,0,1,0|1,0,2]=4 203 B7R1.3 Brc1cccnc1 PI-11914 [0,0,0,0,0,1|2,0,0]=3 204 B7R1.3 Brc1cccnn1 PI-37395 [0,0,0,0,0,1|3,0,0]=4 205 B7R1.3 Brc1ccncc1 PI-10390 [0,0,0,0,0,1|2,0,0]=3 206 B7R1.3 Brc1ccnnc1 PI-34084 [0,0,0,0,0,1|1,0,1]=3 207 B7R1.3 C1=C(C=NC=N1)Br PI-16276 [0,0,0,0,0,1|1,0,1]=3 208 B7R1.3 C1=C(C=NC=N1)Cl PI-21317 [0,0,0,0,0,1|1,0,1]=3 209 B7R1.3 C1=C(C=NC=N1)F PI-28750 [0,0,0,0,0,1|1,0,1]=3 210 B7R1.3 C1=CC(=CN=C1)I PI-11390 [0,0,0,0,0,1|2,0,0]=3 211 B7R1.3 C1=CC(=CN=C1)O PI-44714 [0,0,0,0,0,1|2,0,0]=3 212 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [0,0,0,0,0,1|2,0,0]=3 213 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [0,0,0,0,0,1|3,0,0]=4 214 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [0,0,0,0,0,1|3,0,0]=4 215 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [0,0,0,0,0,1|3,0,0]=4 216 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [0,0,0,0,0,1|3,0,0]=4 217 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [0,0,0,0,0,1|2,1,0]=4 218 B7R1.3 C1=CC=NC(=C1)I PI-32173 [0,0,0,0,0,1|3,0,0]=4 219 B7R1.3 C1=CN=C(C=N1)Br PI-47341 [0,0,0,0,0,1|2,0,0]=3 220 B7R1.3 C1=CN=C(C=N1)Cl PI-11831 [0,0,0,0,0,1|2,0,0]=3 221 B7R1.3 C1=CN=CC(=S)N1 PI-45037 [0,0,0,0,0,1|2,0,0]=3 222 B7R1.3 C1=CN=CC=C1Cl PI-16703 [0,0,0,0,0,1|2,0,0]=3 223 B7R1.3 C1=CN=CC=C1F PI-10293 [0,0,0,0,0,1|2,0,0]=3 224 B7R1.3 C1=CN=CC=C1F PI-28763 [0,0,0,0,0,1|2,0,0]=3 225 B7R1.3 C1=CN=CC=C1I PI-16167 [0,0,0,0,0,1|2,0,0]=3 226 B7R1.3 C1=CN=CN=C1Cl PI-47317 [0,0,0,0,0,1|2,0,0]=3 227 B7R1.3 C1=CN=CN=C1N PI-34789 [0,0,0,0,0,1|2,0,0]=3 228 B7R1.3 C1=CN=CNC1=O PI-21341 [0,0,0,0,0,1|2,0,0]=3 229 B7R1.3 C1=CN=CNC1=O PI-45002 [0,0,0,0,0,1|2,0,0]=3 230 B7R1.3 C1=CNC=CC1=S PI-33123 [0,0,0,0,0,1|2,0,0]=3 231 B7R1.3 C1=COC=CC1=O PI-43972 [0,0,0,0,0,1|3,0,0]=4 232 B7R1.3 C1=C[N+](=CC=N1)[O-] PI-50198 [0,0,0,0,0,1|3,0,0]=4 233 B7R1.3 CC1=CC=CC=N1 PI-38534 [0,0,0,0,0,1|2,0,0]=3 234 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,0,0,1|2,0,1]=4 235 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,0,0,1|2,0,1]=4 236 B7R1.3 CC1=CN=CN=C1 PI-21343 [0,0,0,0,0,1|0,0,1]=2 237 B7R1.3 CC1=CN=NC=C1 PI-31701 [0,0,0,0,0,1|0,0,1]=2 238 B7R1.3 CC1=NC=CN=C1 PI-48495 [0,0,0,0,0,1|1,0,0]=2 239 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [0,0,0,0,0,1|3,0,0]=4 240 B7R1.3 C[n+]1ccccc1 PI-17168 [0,0,0,0,0,1|3,0,0]=4 241 B7R1.3 Cc1ncccn1 PI-35192 [0,0,0,0,0,1|3,0,0]=4 242 B7R1.3 ClC1=NN=CC=C1 PI-37010 [0,0,0,0,0,1|3,0,0]=4 243 B7R1.3 Clc1cccnc1 PI-11921 [0,0,0,0,0,1|2,0,0]=3 244 B7R1.3 Clc1ccncn1 PI-38789 [0,0,0,0,0,1|2,0,0]=3 245 B7R1.3 Fc1ccccn1 PI-11583 [0,0,0,0,0,1|3,0,0]=4 246 B7R1.3 Fc1cccnc1 PI-16759 [0,0,0,0,0,1|2,0,0]=3 247 B7R1.3 Ic1ccccc1 PI-37973 [0,0,0,0,0,1|3,0,0]=4 248 B7R1.3 Ic1cnccn1 PI-38885 [0,0,0,0,0,1|2,0,0]=3 249 B7R1.3 Nc1cccnn1 PI-38601 [0,0,0,0,0,1|3,0,0]=4 250 B7R1.3 Nc1ccnnc1 PI-35933 [0,0,0,0,0,1|1,0,1]=3 251 B7R1.3 Nc1cnccn1 PI-29636 [0,0,0,0,0,1|2,0,0]=3 252 B7R1.3 Nc1cncnc1 PI-38883 [0,0,0,0,0,1|1,0,1]=3 253 B7R1.3 Nc1ncncn1 PI-14137 [0,0,0,0,0,1|3,0,0]=4 254 B7R1.3 O=C1C=CC=NN1 PI-40006 [0,0,0,0,0,1|3,0,0]=4 255 B7R1.3 O=C1C=CNC=C1 PI-33984 [0,0,0,0,0,1|2,0,0]=3 256 B7R1.3 Oc1cncnc1 PI-36495 [0,0,0,0,0,1|1,0,1]=3 257 B7R1.3 [S-]c1ccccc1 PI-17985 [0,0,0,0,0,1|3,0,0]=4 258 B4R0.1 C(C(=N)N)N PI-44870 [1,0,1,0,0,0|1,0,1]=4 259 B4R0.1 CC(=C)CBr PI-46510 [1,0,1,0,0,0|1,0,1]=4 260 B4R0.1 CC(=CBr)C PI-46509 [1,0,1,0,0,0|1,0,1]=4 261 B4R0.1 CC(=O)NBr PI-47108 [1,0,1,0,0,0|2,0,0]=4 262 B4R0.1 CC(O)=NO PI-10772 [1,0,1,0,0,0|2,0,0]=4 263 B4R0.2 C=CCON PI-47075 [1,0,1,0,0,0|1,0,1]=4 264 B4R0.2 CC=CCO PI-41583 [1,0,1,0,0,0|2,0,0]=4 265 B4R0.2 CNCC=C PI-41121 [1,0,1,0,0,0|1,0,1]=4 266 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,1,1,0,0,0|2,0,0]=4 267 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [0,1,0,0,0,1|2,0,0]=4 268 B8R1.2 BrCC1=CN=CN=C1 PI-40551 [0,1,0,0,0,1|0,0,1]=3 269 B8R1.2 C#CC1=CN=CN=C1 PI-35998 [0,1,0,0,0,1|0,0,2]=4 270 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [0,1,0,0,0,1|0,0,1]=3 271 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [0,1,0,0,0,1|1,0,0]=3 272 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [0,1,0,0,0,1|1,0,0]=3 273 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [0,1,0,0,0,1|2,0,0]=4 274 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [0,1,0,0,0,1|2,0,0]=4 275 B8R1.2 C1=CN=CC=C1CCl PI-31734 [0,1,0,0,0,1|1,0,0]=3 276 B8R1.2 C1=CN=CC=C1CO PI-16744 [0,1,0,0,0,1|1,0,0]=3 277 B8R1.2 C1=CN=CN=C1C=O PI-34868 [0,1,0,0,0,1|1,0,1]=4 278 B8R1.2 C1=CN=CN=C1CO PI-35498 [0,1,0,0,0,1|1,0,0]=3 279 B8R1.2 CCC1=CC=CC=N1 PI-49466 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.2 CCC1=NC=CN=C1 PI-11040 [0,1,0,0,0,1|1,0,0]=3 281 B8R1.2 CNC1=CC=CC=N1 PI-11864 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.2 CNC1=CC=NC=C1 PI-23603 [0,1,0,0,0,1|1,0,0]=3 283 B8R1.2 CNC1=CN=CC=C1 PI-11328 [0,1,0,0,0,1|1,0,0]=3 284 B8R1.2 COC1=CC=CC=N1 PI-33887 [0,1,0,0,0,1|2,0,0]=4 285 B8R1.2 COC1=CC=NC=C1 PI-10034 [0,1,0,0,0,1|1,0,0]=3 286 B8R1.2 COC1=CN=CC=C1 PI-33889 [0,1,0,0,0,1|1,0,0]=3 287 B8R1.2 COC1=NC=CN=C1 PI-11859 [0,1,0,0,0,1|1,0,0]=3 288 B8R1.2 CSC1=CC=CC=N1 PI-16757 [0,1,0,0,0,1|2,0,0]=4 289 B8R1.2 CSC1=NC=CN=C1 PI-11048 [0,1,0,0,0,1|1,0,0]=3 290 B8R1.2 CSC1=NN=CC=N1 PI-37184 [0,1,0,0,0,1|2,0,0]=4 291 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [0,1,0,0,0,1|1,0,0]=3 292 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.2 ClCc1ccccn1 PI-16716 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.2 N#Cc1cncnc1 PI-38932 [0,1,0,0,0,1|0,0,2]=4 295 B8R1.2 NCC1=CC=CC=C1 PI-37209 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.2 NCC1=CC=NC=C1 PI-41875 [0,1,0,0,0,1|1,0,0]=3 297 B8R1.2 NCc1ccccn1 PI-33905 [0,1,0,0,0,1|2,0,0]=4 298 B8R1.2 NCc1cccnc1 PI-15236 [0,1,0,0,0,1|1,0,0]=3 299 B8R1.2 NCc1ccncc1 PI-31790 [0,1,0,0,0,1|1,0,0]=3 300 B8R1.2 O=Cc1cccnc1 PI-33908 [0,1,0,0,0,1|1,0,1]=4 301 B8R1.2 O=Cc1ccncc1 PI-13140 [0,1,0,0,0,1|1,0,1]=4 302 B8R1.2 OCC1=CC=CN=C1 PI-11019 [0,1,0,0,0,1|1,0,0]=3 303 B8R1.2 OCC1=NC=CC=C1 PI-16261 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.2 OCc1ccncc1 PI-16686 [0,1,0,0,0,1|1,0,0]=3 305 B8R1.2 c1nccnc1C#N PI-11837 [0,1,0,0,0,1|1,0,1]=4 306 B8R1.3 Brc1ccc(C)cn1 PI-10149 [0,1,0,0,0,1|1,0,0]=3 307 B8R1.3 Brc1ccc(cn1)F PI-23448 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.3 Brc1ccc(cn1)N PI-31056 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.3 Brc1cnc(Cl)nc1 PI-20664 [0,1,0,0,0,1|1,0,1]=4 310 B8R1.3 Brc1cnc(nc1)I PI-24188 [0,1,0,0,0,1|1,0,1]=4 311 B8R1.3 Brc1cnc(nc1)N PI-31304 [0,1,0,0,0,1|1,0,1]=4 312 B8R1.3 C1=C(C=NC(=N1)Cl)Cl PI-32939 [0,1,0,0,0,1|1,0,1]=4 313 B8R1.3 C1=C(C=NC(=N1)Cl)I PI-39116 [0,1,0,0,0,1|1,0,1]=4 314 B8R1.3 C1=C(C=NC(=N1)Cl)O PI-40987 [0,1,0,0,0,1|1,0,1]=4 315 B8R1.3 C1=C(C=NC(=N1)F)I PI-45099 [0,1,0,0,0,1|1,0,1]=4 316 B8R1.3 C1=C(C=NC(=N1)N)Cl PI-30697 [0,1,0,0,0,1|1,0,1]=4 317 B8R1.3 C1=C(C=NC(=N1)N)F PI-43297 [0,1,0,0,0,1|1,0,1]=4 318 B8R1.3 C1=C(C=NC(=N1)N)I PI-21304 [0,1,0,0,0,1|1,0,1]=4 319 B8R1.3 C1=C(C=NC(=N1)N)N PI-34826 [0,1,0,0,0,1|1,0,1]=4 320 B8R1.3 C1=C(C=NC(=O)N1)Br PI-31176 [0,1,0,0,0,1|1,0,0]=3 321 B8R1.3 C1=C(C=NC(=O)N1)I PI-32628 [0,1,0,0,0,1|1,0,0]=3 322 B8R1.3 C1=C(I)C=CC(=N1)Br PI-38918 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.3 C1=C(N=CC(=N1)Br)Br PI-45094 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.3 C1=C(N=CC(=N1)Br)N PI-45009 [0,1,0,0,0,1|2,0,0]=4 325 B8R1.3 C1=C(N=CC(=N1)Cl)Cl PI-43294 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.3 C1=C(N=CC(=N1)Cl)N PI-44940 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.3 C1=C(N=CC(=O)N1)Cl PI-45666 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.3 C1=CC(=NC=C1Br)F PI-23450 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.3 C1=CC(=NC=C1Br)I PI-22827 [0,1,0,0,0,1|2,0,0]=4 330 B8R1.3 C1=CC(=NC=C1Cl)Br PI-10389 [0,1,0,0,0,1|2,0,0]=4 331 B8R1.3 C1=CC(=NC=C1Cl)F PI-16762 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.3 C1=CC(=NC=C1Cl)I PI-34652 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.3 C1=CC(=NC=C1F)Cl PI-10085 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.3 C1=CC(=NC=C1F)N PI-23434 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.3 C1=CC(=NC=C1I)Cl PI-20140 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.3 C1=CC(=NC=C1I)F PI-16769 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.3 C1=CC(=NC=C1N)N PI-33879 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.3 C1=CC(=NC=C1O)Cl PI-10086 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.3 C1=CC(=NC=C1O)I PI-34186 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [0,1,0,0,0,1|1,0,0]=3 342 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [0,1,0,0,0,1|1,0,0]=3 343 B8R1.3 CC1=CN=C(C=N1)N PI-48187 [0,1,0,0,0,1|1,0,0]=3 344 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [0,1,0,0,0,1|1,0,0]=3 345 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.3 CC1=NC=C(C=N1)Br PI-35175 [0,1,0,0,0,1|1,0,1]=4 348 B8R1.3 CC1=NC=C(C=N1)F PI-45025 [0,1,0,0,0,1|1,0,1]=4 349 B8R1.3 CC1=NC=C(C=N1)N PI-32948 [0,1,0,0,0,1|1,0,1]=4 350 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [0,1,0,0,0,1|1,0,1]=4 351 B8R1.3 CC1=NN=C(C=C1)N PI-44739 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.3 CC1=NNC(=O)C=C1 PI-44765 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [0,1,0,0,0,1|2,0,0]=4 354 B8R1.3 Cc1ccc(Cl)nn1 PI-30064 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.3 Cc1ccc(F)cc1 PI-34120 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.3 Cc1ccc(I)cc1 PI-13709 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.3 Cc1ccc(cn1)Br PI-23479 [0,1,0,0,0,1|2,0,0]=4 358 B8R1.3 Cc1ccc(cn1)N PI-13104 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.3 Cc1ncc(nc1)Br PI-36981 [0,1,0,0,0,1|1,0,0]=3 360 B8R1.3 Clc1ccc(Br)cn1 PI-31223 [0,1,0,0,0,1|2,0,0]=4 361 B8R1.3 Clc1ccc(Cl)nc1 PI-10179 [0,1,0,0,0,1|2,0,0]=4 362 B8R1.3 Clc1ccc(cn1)C PI-16696 [0,1,0,0,0,1|1,0,0]=3 363 B8R1.3 Clc1ccc(cn1)N PI-10026 [0,1,0,0,0,1|2,0,0]=4 364 B8R1.3 Clc1cnc(O)nc1 PI-21321 [0,1,0,0,0,1|1,0,1]=4 365 B8R1.3 Clc1cnc(nc1)I PI-38331 [0,1,0,0,0,1|1,0,1]=4 366 B8R1.3 Clc1ncc(nc1)Br PI-39468 [0,1,0,0,0,1|2,0,0]=4 367 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [0,1,0,0,0,1|2,0,0]=4 368 B8R1.3 Fc1ccc(N)cn1 PI-10292 [0,1,0,0,0,1|2,0,0]=4 369 B8R1.3 Fc1ccc(cn1)F PI-35922 [0,1,0,0,0,1|2,0,0]=4 370 B8R1.3 Fc1cnc(Cl)nc1 PI-21320 [0,1,0,0,0,1|1,0,1]=4 371 B8R1.3 Ic1ccc(cn1)I PI-32190 [0,1,0,0,0,1|2,0,0]=4 372 B8R1.3 NC1=CN=C(N)C=C1 PI-16689 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.3 Nc1ccc(cn1)Br PI-22846 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.3 Nc1ccc(cn1)C PI-25208 [0,1,0,0,0,1|1,0,0]=3 375 B8R1.3 Nc1ccc(cn1)Cl PI-31015 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.3 Nc1ccc(cn1)I PI-10252 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.3 Nc1cnc(nc1)Cl PI-21313 [0,1,0,0,0,1|1,0,1]=4 378 B8R1.3 OC1=CN=C(Br)C=C1 PI-40203 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [0,1,0,0,0,1|2,0,0]=4 380 B8R1.3 Oc1ccc(cn1)Br PI-16568 [0,1,0,0,0,1|2,0,0]=4 381 B8R1.3 Oc1ccc(cn1)C PI-37410 [0,1,0,0,0,1|1,0,0]=3 382 B8R1.3 Oc1ccc(cn1)Cl PI-15823 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.3 Oc1ccc(cn1)F PI-34437 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.3 Oc1ccc(cn1)N PI-28402 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.3 Oc1cnc(N)nc1 PI-36493 [0,1,0,0,0,1|1,0,1]=4 386 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [0,1,0,0,0,1|1,0,1]=4 387 B8R1.4 BrC1=NC=CC(N)=N1 PI-46732 [0,1,0,0,0,1|2,0,0]=4 388 B8R1.4 Brc1cc[nH]c(=O)c1 PI-38916 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.4 Brc1ccnc(c1)C PI-32240 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.4 Brc1ccnc(c1)Cl PI-31296 [0,1,0,0,0,1|2,0,0]=4 391 B8R1.4 Brc1ccnc(c1)N PI-35022 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.4 Brc1cncc(Br)c1 PI-10080 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.4 Brc1ncnc(c1)Br PI-38773 [0,1,0,0,0,1|2,0,0]=4 394 B8R1.4 C1=C(C=NC=C1Br)Cl PI-34454 [0,1,0,0,0,1|2,0,0]=4 395 B8R1.4 C1=C(C=NC=C1Br)F PI-10088 [0,1,0,0,0,1|2,0,0]=4 396 B8R1.4 C1=C(C=NC=C1Br)N PI-10515 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.4 C1=C(C=NC=C1Cl)Cl PI-32420 [0,1,0,0,0,1|2,0,0]=4 398 B8R1.4 C1=C(C=NC=C1Cl)F PI-34439 [0,1,0,0,0,1|2,0,0]=4 399 B8R1.4 C1=C(C=NC=C1Cl)O PI-40461 [0,1,0,0,0,1|2,0,0]=4 400 B8R1.4 C1=C(C=NN=C1N)Br PI-44595 [0,1,0,0,0,1|1,0,1]=4 401 B8R1.4 C1=C(C=NN=C1N)Br PI-44596 [0,1,0,0,0,1|1,0,1]=4 402 B8R1.4 C1=C(N=C(C=N1)Cl)N PI-30484 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.4 C1=C(N=CN=C1N)N PI-21325 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.4 C1=C(N=CNC1=O)Cl PI-16343 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.4 C1=C(N=CNC1=O)N PI-21312 [0,1,0,0,0,1|2,0,0]=4 406 B8R1.4 C1=C(N=CNC1=O)O PI-15320 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.4 C1=C(NC(=S)N=C1)N PI-21307 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.4 C1=CN=C(C=C1Br)F PI-24079 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.4 C1=CN=C(C=C1F)F PI-40869 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.4 C1=CN=C(C=C1I)Cl PI-11387 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.4 C1=CN=C(N=C1Br)Br PI-50057 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.4 C1=CN=C(N=C1Cl)Br PI-39637 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.4 C1=CN=C(N=C1N)Cl PI-10283 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.4 C1=CN=C(N=C1N)F PI-45161 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.4 C1=CN=C(N=C1N)N PI-11759 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.4 C1=CN=C(NC1=O)N PI-12796 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.4 C1=CNC(=CC1=O)Br PI-35008 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.4 C1=CNC(=CC1=O)Cl PI-11015 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.4 C1=CNC(=O)C=C1N PI-34824 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.4 C1=CNC(=O)C=C1O PI-10171 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.4 C1=CNC(=S)NC1=O PI-48541 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.4 C1=NNC(=O)NC1=O PI-31204 [0,1,0,0,0,1|1,0,0]=3 423 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [0,1,0,0,0,1|2,0,0]=4 424 B8R1.4 CC1=CC(=CN=C1)Br PI-27499 [0,1,0,0,0,1|1,0,0]=3 425 B8R1.4 CC1=CC(=CN=C1)F PI-16772 [0,1,0,0,0,1|1,0,0]=3 426 B8R1.4 CC1=CC(=NC=C1)Br PI-10385 [0,1,0,0,0,1|1,0,0]=3 427 B8R1.4 CC1=CC(=NC=C1)Cl PI-16626 [0,1,0,0,0,1|1,0,0]=3 428 B8R1.4 CC1=CC(=NC=N1)Br PI-45128 [0,1,0,0,0,1|1,0,0]=3 429 B8R1.4 CC1=CC(=O)NC=N1 PI-32627 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.4 CC1=CC(=O)NN=C1 PI-34651 [0,1,0,0,0,1|0,0,0]=2 431 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [0,1,0,0,0,1|2,0,0]=4 432 B8R1.4 CC1=CN=CC(=N1)C PI-11052 [0,1,0,0,0,1|1,0,0]=3 433 B8R1.4 CC1=C[N+](=CC=C1)[O-] PI-33810 [0,1,0,0,0,1|1,0,1]=4 434 B8R1.4 CC1=NC(=CC=C1)Br PI-23524 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.4 CC1=NC(=NC=C1)Br PI-21314 [0,1,0,0,0,1|1,0,0]=3 436 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [0,1,0,0,0,1|2,0,0]=4 437 B8R1.4 Cc1cc[nH]c(=O)n1 PI-21340 [0,1,0,0,0,1|1,0,0]=3 438 B8R1.4 Cc1cccc(N)n1 PI-32836 [0,1,0,0,0,1|2,0,0]=4 439 B8R1.4 Cc1cccc(n1)Cl PI-28225 [0,1,0,0,0,1|2,0,0]=4 440 B8R1.4 Cc1cccc(n1)F PI-16770 [0,1,0,0,0,1|2,0,0]=4 441 B8R1.4 Cc1ccnc(Cl)n1 PI-32949 [0,1,0,0,0,1|1,0,0]=3 442 B8R1.4 Cc1ccnc(N)c1 PI-32462 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.4 Cc1ccnc(c1)F PI-23598 [0,1,0,0,0,1|1,0,0]=3 444 B8R1.4 Cc1ccnc(n1)N PI-21305 [0,1,0,0,0,1|1,0,0]=3 445 B8R1.4 Cc1ccnc(n1)S PI-21344 [0,1,0,0,0,1|1,0,0]=3 446 B8R1.4 Cc1cncc(Br)n1 PI-32830 [0,1,0,0,0,1|1,0,0]=3 447 B8R1.4 Clc1ccnc(Cl)c1 PI-16701 [0,1,0,0,0,1|2,0,0]=4 448 B8R1.4 Clc1ccnc(Cl)n1 PI-28484 [0,1,0,0,0,1|2,0,0]=4 449 B8R1.4 Clc1ccnc(c1)N PI-11783 [0,1,0,0,0,1|2,0,0]=4 450 B8R1.4 Clc1ccnc(n1)C PI-38934 [0,1,0,0,0,1|2,0,0]=4 451 B8R1.4 Clc1ccnc(n1)N PI-27559 [0,1,0,0,0,1|2,0,0]=4 452 B8R1.4 Clc1cncc(Cl)n1 PI-16282 [0,1,0,0,0,1|2,0,0]=4 453 B8R1.4 Clc1ncnc(Cl)c1 PI-31039 [0,1,0,0,0,1|2,0,0]=4 454 B8R1.4 FC1=CC(=CN=C1)O PI-40460 [0,1,0,0,0,1|2,0,0]=4 455 B8R1.4 Fc1ccnc(Cl)c1 PI-16761 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.4 Fc1ccnc(c1)Br PI-34451 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.4 Fc1cncc(c1)F PI-33060 [0,1,0,0,0,1|2,0,0]=4 458 B8R1.4 Ic1ccnc(Br)c1 PI-27035 [0,1,0,0,0,1|2,0,0]=4 459 B8R1.4 Ic1ccnc(N)c1 PI-36261 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.4 Ic1ccnc(c1)F PI-34431 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.4 NC1=CC(=CN=C1)F PI-40469 [0,1,0,0,0,1|2,0,0]=4 462 B8R1.4 NC1=CC(N)=NC=C1 PI-37257 [0,1,0,0,0,1|2,0,0]=4 463 B8R1.4 NC1=NC=CC(=C1)F PI-39567 [0,1,0,0,0,1|2,0,0]=4 464 B8R1.4 NC1=NC=CC(=N1)Br PI-40255 [0,1,0,0,0,1|2,0,0]=4 465 B8R1.4 Nc1cc[nH]c(=O)n1 PI-16002 [0,1,0,0,0,1|2,0,0]=4 466 B8R1.4 Nc1ccnc(c1)Br PI-23436 [0,1,0,0,0,1|2,0,0]=4 467 B8R1.4 Nc1ccnc(c1)Cl PI-23438 [0,1,0,0,0,1|2,0,0]=4 468 B8R1.4 Nc1cnnc(c1)Cl PI-39012 [0,1,0,0,0,1|1,0,1]=4 469 B8R1.4 Nc1ncnc(c1)Cl PI-21308 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.4 O=C1NC(C=CN1)=O PI-37339 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [0,1,0,0,0,1|1,0,0]=3 472 B8R1.4 Oc1ccnc(c1)N PI-34188 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.4 Oc1ccnc(n1)Cl PI-38931 [0,1,0,0,0,1|2,0,0]=4 474 B8R1.4 Oc1cncc(c1)Br PI-27886 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.4 Oc1cnnc(n1)S PI-12573 [0,1,0,0,0,1|1,0,1]=4 476 B8R1.4 S=c1cc[nH]c(=O)[nH]1 PI-12580 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.5 BrC1=NC=CC=C1N PI-28492 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.5 Brc1cccnc1Cl PI-28602 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.5 Brc1cccnc1N PI-30126 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.5 C1=C(C(=NC=N1)Cl)F PI-42904 [0,1,0,0,0,1|1,0,1]=4 481 B8R1.5 C1=C(C(=NC=N1)N)F PI-45138 [0,1,0,0,0,1|1,0,1]=4 482 B8R1.5 C1=C(C(=O)NC=N1)Br PI-45070 [0,1,0,0,0,1|1,0,0]=3 483 B8R1.5 C1=C(C(=O)NC=N1)F PI-15254 [0,1,0,0,0,1|1,0,0]=3 484 B8R1.5 C1=C(C(=O)NC=N1)N PI-45141 [0,1,0,0,0,1|1,0,0]=3 485 B8R1.5 C1=CC(=C(N=C1)Br)Br PI-28122 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.5 C1=CC(=C(N=C1)Br)Cl PI-27992 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.5 C1=CC(=C(N=C1)Br)F PI-34450 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.5 C1=CC(=C(N=C1)Cl)Cl PI-10112 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.5 C1=CC(=C(N=C1)Cl)F PI-16375 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.5 C1=CC(=C(N=C1)Cl)I PI-11389 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.5 C1=CC(=C(N=C1)F)I PI-16040 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.5 C1=CC(=C(N=C1)F)N PI-16374 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.5 C1=CC(=C(N=C1)N)Cl PI-31793 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.5 C1=CN=C(C(=N1)C)N PI-40999 [0,1,0,0,0,1|1,0,0]=3 497 B8R1.5 C1=CN=C(C(=N1)Cl)Cl PI-11728 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.5 C1=CN=CC(=C1Cl)Br PI-28453 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.5 C1=CN=CC(=C1Cl)Cl PI-28640 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.5 C1=CN=CC(=C1Cl)F PI-10413 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.5 C1=CN=CC(=C1Cl)N PI-28262 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.5 C1=CN=CC(=C1I)F PI-34425 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.5 C1=CNC(=O)C(=C1)Cl PI-35282 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.5 C1=CNC(=O)C(=C1)F PI-34509 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.5 C1=CNC(=S)C(=C1)N PI-36113 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.5 C1=CNC=C(C1=O)N PI-28705 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.5 CC1=C(Br)C=CN=C1 PI-40508 [0,1,0,0,0,1|1,0,0]=3 509 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.5 CC1=C(C=CN=C1)Cl PI-40252 [0,1,0,0,0,1|1,0,0]=3 511 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [0,1,0,0,0,1|1,0,0]=3 512 B8R1.5 CC1=C(C=NC=C1)F PI-16771 [0,1,0,0,0,1|1,0,0]=3 513 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [0,1,0,0,0,1|1,0,0]=3 514 B8R1.5 CC1=C(N=CC=C1)F PI-16763 [0,1,0,0,0,1|1,0,0]=3 515 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [0,1,0,0,0,1|1,0,0]=3 516 B8R1.5 CC1=CC=CC=C1I PI-10980 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.5 CC1=NC=CN=C1C PI-11734 [0,1,0,0,0,1|1,0,0]=3 519 B8R1.5 CC1=NC=CN=C1Cl PI-11816 [0,1,0,0,0,1|1,0,0]=3 520 B8R1.5 CC1=NC=CNC1=O PI-40998 [0,1,0,0,0,1|1,0,0]=3 521 B8R1.5 Cc1ccccc1F PI-34118 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.5 Cc1cccnc1Br PI-28405 [0,1,0,0,0,1|1,0,0]=3 523 B8R1.5 Cc1cccnc1Cl PI-33878 [0,1,0,0,0,1|1,0,0]=3 524 B8R1.5 Cc1ccncc1Br PI-23509 [0,1,0,0,0,1|1,0,0]=3 525 B8R1.5 Cc1ccncc1N PI-24336 [0,1,0,0,0,1|1,0,0]=3 526 B8R1.5 Cc1ccnnc1Cl PI-34083 [0,1,0,0,0,1|0,0,1]=3 527 B8R1.5 Cc1cnccc1Br PI-33360 [0,1,0,0,0,1|1,0,0]=3 528 B8R1.5 Cc1cnccc1O PI-38275 [0,1,0,0,0,1|1,0,0]=3 529 B8R1.5 ClC1=CC=NN=C1Cl PI-37111 [0,1,0,0,0,1|1,0,1]=4 530 B8R1.5 Clc1ncncc1Cl PI-31681 [0,1,0,0,0,1|1,0,1]=4 531 B8R1.5 FC1=NC=CC=C1Br PI-34449 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.5 Fc1cnccc1Br PI-10110 [0,1,0,0,0,1|2,0,0]=4 533 B8R1.5 Fc1ncccc1F PI-16764 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.5 Ic1cccnc1N PI-36512 [0,1,0,0,0,1|2,0,0]=4 535 B8R1.5 Ic1cncnc1Cl PI-39068 [0,1,0,0,0,1|1,0,1]=4 536 B8R1.5 NC1=C(C=NC=C1)F PI-40470 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.5 Nc1cccnc1C PI-13066 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.5 Nc1cccnc1Cl PI-24529 [0,1,0,0,0,1|2,0,0]=4 539 B8R1.5 Nc1cccnc1N PI-10159 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.5 Nc1ccncc1Br PI-16045 [0,1,0,0,0,1|2,0,0]=4 541 B8R1.5 Nc1cnccc1I PI-36511 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.5 Nc1cnccc1N PI-16569 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.5 Nc1cncnc1Cl PI-38851 [0,1,0,0,0,1|1,0,1]=4 544 B8R1.5 Nc1nccnc1Br PI-38204 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.5 Nc1nccnc1Cl PI-38205 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.5 Nc1ncncc1N PI-21323 [0,1,0,0,0,1|1,0,1]=4 547 B8R1.5 O=c1[nH]cccc1C PI-16687 [0,1,0,0,0,1|1,0,0]=3 548 B8R1.5 OC1=NC=CC=C1Br PI-37057 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.5 Oc1cccnc1Br PI-16727 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.5 Oc1cccnc1C PI-13315 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.5 Oc1cccnc1N PI-16260 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.5 Oc1ccncc1Br PI-38971 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.5 Oc1ncccc1O PI-11386 [0,1,0,0,0,1|2,0,0]=4 554 B8R1.1 CC1=CC(=NO1)CCl PI-20163 [0,2,0,0,0,0|2,0,0]=4 555 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [0,2,0,0,0,0|2,0,0]=4 556 B8R1.1 CCC1=CC(=NO1)N PI-40978 [0,2,0,0,0,0|2,0,0]=4 557 B8R1.1 CCC1=CN=C(S1)N PI-32196 [0,2,0,0,0,0|2,0,0]=4 558 B8R1.1 CCC1=NC=C(N1)C PI-31806 [0,2,0,0,0,0|2,0,0]=4 559 B8R1.1 CCN1C=C(C=N1)Br PI-34759 [0,2,0,0,0,0|1,0,0]=3 560 B8R1.1 CCN1C=C[N+](=C1)C PI-39016 [0,2,0,0,0,0|2,0,0]=4 561 B8R1.1 CCN1C=C[N+](=C1)C PI-42608 [0,2,0,0,0,0|2,0,0]=4 562 B8R1.1 CCN1C=C[N+](=C1)C PI-44202 [0,2,0,0,0,0|2,0,0]=4 563 B8R1.1 CCN1C=C[N+](=C1)C PI-44223 [0,2,0,0,0,0|2,0,0]=4 564 B8R1.1 CCN1C=C[N+](=C1)C PI-45697 [0,2,0,0,0,0|2,0,0]=4 565 B8R1.1 CCn1cc[n+](c1)C PI-37214 [0,2,0,0,0,0|2,0,0]=4 566 B8R1.1 COC1=CC(=NO1)N PI-34618 [0,2,0,0,0,0|2,0,0]=4 567 B8R1.1 COC1=CC(=O)NC1 PI-13575 [0,2,0,0,0,0|1,0,1]=4 568 B8R1.1 Cc1cc(no1)CO PI-20812 [0,2,0,0,0,0|2,0,0]=4 569 B8R1.1 ClCc1cnc(s1)Cl PI-11121 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.1 Cn1cc(nc1)C=O PI-39321 [0,2,0,0,0,0|2,0,0]=4 571 B8R1.1 NCc1cnn(c1)C PI-35803 [0,2,0,0,0,0|0,0,0]=2 572 B8R1.1 O=Cc1cnn(c1)C PI-33835 [0,2,0,0,0,0|0,0,1]=3 573 B8R1.1 OCC1=CN=C(Cl)S1 PI-46742 [0,2,0,0,0,0|2,0,0]=4 574 B8R1.7 B(C1=CNC=C1)(O)O PI-33181 [0,2,0,0,0,0|2,0,0]=4 575 B8R1.7 B(C1=CON=C1)(O)O PI-39013 [0,2,0,0,0,0|2,0,0]=4 576 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [0,2,0,0,0,0|1,0,1]=4 577 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,2,0,0,0,0|1,0,1]=4 578 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,2,0,0,0,0|1,0,1]=4 579 B8R1.7 C1=N[NH]C=C1[N+]([O-])=O PI-40000 [0,2,0,0,0,0|1,0,0]=3 580 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [0,2,0,0,0,0|2,0,0]=4 581 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [0,2,0,0,0,0|2,0,0]=4 582 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [0,2,0,0,0,0|2,0,0]=4 583 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,2,0,0,0,0|2,0,0]=4 584 B8R1.7 CC(=O)n1cncc1 PI-31807 [0,2,0,0,0,0|2,0,0]=4 585 B8R1.7 CC(C)n1cncc1 PI-31687 [0,2,0,0,0,0|2,0,0]=4 586 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [0,2,0,0,0,0|2,0,0]=4 587 B8R1.7 OB(c1c[nH]nc1)O PI-38165 [0,2,0,0,0,0|1,0,0]=3 588 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [0,2,0,0,0,0|1,0,1]=4 589 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [0,2,0,0,0,0|0,0,1]=3 590 B8R1.8 C(CCl)C1=NNN=N1 PI-10144 [0,2,0,0,0,0|2,0,0]=4 591 B8R1.8 C1=C(NC=N1)CCN PI-44999 [0,2,0,0,0,0|2,0,0]=4 592 B8R1.8 C1=C(NC=N1)CCO PI-31941 [0,2,0,0,0,0|2,0,0]=4 593 B8R1.8 C=CCN1C=CN=C1 PI-31814 [0,2,0,0,0,0|2,0,0]=4 594 B8R1.8 CCSC1=NNN=N1 PI-10205 [0,2,0,0,0,0|2,0,0]=4 595 B8R1.8 CCSC1=NNN=N1 PI-12031 [0,2,0,0,0,0|2,0,0]=4 596 B8R1.8 CNCC1=CC=NO1 PI-48159 [0,2,0,0,0,0|2,0,0]=4 597 B8R1.8 ClCCC1=CNC=N1 PI-39992 [0,2,0,0,0,0|2,0,0]=4 598 B8R1.8 N#CCN1C=CN=C1 PI-42330 [0,2,0,0,0,0|2,0,0]=4 599 B8R1.8 N#CCc1cscc1 PI-35071 [0,2,0,0,0,0|2,0,0]=4 600 B8R1.8 NCCc1nc[nH]c1 PI-27712 [0,2,0,0,0,0|2,0,0]=4 601 B8R1.8 NCCn1cncc1 PI-36110 [0,2,0,0,0,0|2,0,0]=4 602 B8R1.8 OCCC1=CSC=C1 PI-42380 [0,2,0,0,0,0|2,0,0]=4 603 B8R1.8 OCCn1cncc1 PI-20761 [0,2,0,0,0,0|2,0,0]=4 604 B8R1.11 Brc1cn[nH]c1C#N PI-22583 [0,2,0,0,0,0|1,0,0]=3 605 B8R1.11 C1=CSC(=C1CCl)Cl PI-35066 [0,2,0,0,0,0|2,0,0]=4 606 B8R1.11 C1=CSC(=C1CN)Br PI-14463 [0,2,0,0,0,0|2,0,0]=4 607 B8R1.11 C1=NC(=C(N1)CN)N PI-12518 [0,2,0,0,0,0|2,0,0]=4 608 B8R1.11 C1=NC(=C(S1)CO)Br PI-50058 [0,2,0,0,0,0|2,0,0]=4 609 B8R1.11 C1=NNC(=C1C#N)N PI-20320 [0,2,0,0,0,0|0,0,1]=3 610 B8R1.11 C1=NOC(=C1C#N)N PI-36302 [0,2,0,0,0,0|1,0,1]=4 611 B8R1.11 CC1=C(C=CO1)SC PI-14230 [0,2,0,0,0,0|2,0,0]=4 612 B8R1.11 CC1=C(CO)NC=N1 PI-11991 [0,2,0,0,0,0|2,0,0]=4 613 B8R1.11 CC1=C(N=CN1)C=O PI-45102 [0,2,0,0,0,0|2,0,0]=4 614 B8R1.11 CC1=C(N=CN1)CO PI-32341 [0,2,0,0,0,0|2,0,0]=4 615 B8R1.11 CC1=C(SC=C1)C#N PI-30712 [0,2,0,0,0,0|2,0,0]=4 616 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [0,2,0,0,0,0|2,0,0]=4 617 B8R1.11 CN1C=CN=C1CO PI-33166 [0,2,0,0,0,0|2,0,0]=4 618 B8R1.11 CN1C=NC=C1C=O PI-25534 [0,2,0,0,0,0|2,0,0]=4 619 B8R1.11 CN1N=CC=C1CC PI-39594 [0,2,0,0,0,0|2,0,0]=4 620 B8R1.11 COC1=C(SC=C1)Br PI-39262 [0,2,0,0,0,0|2,0,0]=4 621 B8R1.11 NCC1=CC=NN1C PI-40532 [0,2,0,0,0,0|2,0,0]=4 622 B8R1.11 NCc1nccn1C PI-38209 [0,2,0,0,0,0|2,0,0]=4 623 B8R1.11 O=Cc1nccn1C PI-16496 [0,2,0,0,0,0|2,0,0]=4 624 B8R1.18 CC1=C(NC(=S)N1)C PI-23857 [0,2,0,0,0,0|2,0,0]=4 625 B8R1.18 CC1=C(SC(=C1)Cl)Cl PI-14314 [0,2,0,0,0,0|2,0,0]=4 626 B8R1.18 CC1=C(SC(=N1)C)C PI-11116 [0,2,0,0,0,0|2,0,0]=4 627 B8R1.18 CC1=C(SC(=N1)N)C PI-30877 [0,2,0,0,0,0|2,0,0]=4 628 B8R1.18 CC1=CC(=C(S1)C)C PI-29262 [0,2,0,0,0,0|2,0,0]=4 629 B8R1.18 CC1=CC(=O)N(N1)C PI-33909 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.18 CC1=NN(C(=C1)N)C PI-15881 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.18 Cc1cc(n(n1)C)C PI-37586 [0,2,0,0,0,0|2,0,0]=4 632 B8R1.18 NC1=CN(C)N=C1C PI-39715 [0,2,0,0,0,0|1,0,0]=3 633 B8R1.18 Nc1sc(c(n1)C)C PI-32188 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.50 C1(=C(NN=C1Br)Br)Br PI-33034 [0,2,0,0,0,0|1,0,0]=3 635 B8R1.50 CC1=C(C(=NN1)C)Br PI-21398 [0,2,0,0,0,0|1,0,0]=3 636 B8R1.50 CC1=C(C(=NO1)C)Br PI-14418 [0,2,0,0,0,0|2,0,0]=4 637 B8R1.50 CC1=C(C(=NO1)C)I PI-29046 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.50 CC1=C(C(=NO1)N)Br PI-30739 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.50 CC1=C(COC1=O)O PI-45422 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.50 CC1=C(ON=C1N)C PI-33192 [0,2,0,0,0,0|1,0,0]=3 641 B8R1.50 CC1=NNC(=O)N1C PI-12201 [0,2,0,0,0,0|1,0,0]=3 642 B8R1.50 CC1=NNC(=S)N1N PI-17548 [0,2,0,0,0,0|2,0,0]=4 643 B8R1.50 CN1C=NC(=C1Br)Br PI-20977 [0,2,0,0,0,0|2,0,0]=4 644 B8R1.50 Cc1[nH]nc(c1I)C PI-29308 [0,2,0,0,0,0|1,0,0]=3 645 B6R1.1 C1=CN=CC=N1 PI-14237 [0,0,1,1,0,0|2,0,0]=4 646 B6R1.1 c1cccn[c-]1 PI-24182 [0,0,1,1,0,0|1,0,1]=4 647 B6R1.1 c1cccnc1 PI-14207 [0,0,1,1,0,0|1,0,1]=4 648 B6R1.1 c1ccncn1 PI-11036 [0,0,1,1,0,0|2,0,0]=4