0 B9R1.35 B(C1=CC(=CS1)C)(O)O PI-25213 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CC(=O)N1C=C(C=N1)I PI-31343 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 O=C(C1=NN=C(C)S1)[O-] PI-40879 [0,0,0,0,0,0|1,0,2]=3 28 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.1 Brc1cc(oc1)C=O PI-21495 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.1 Brc1cc(sc1)C=O PI-16278 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.1 Brc1cnc(s1)C=O PI-39227 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 CC1=CC(=NO1)CCl PI-20163 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.1 Cc1cc(no1)CO PI-20812 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.1 Cn1cc(nc1)C=O PI-39321 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.1 O=Cc1cnn(c1)C PI-33835 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.7 B(C1=CNC=C1)(O)O PI-33181 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.7 C1=C(N=NS1)C(=O)O PI-28513 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.7 C1=COC=C1C(=O)O PI-16502 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 C1=CON=C1C(=O)O PI-48871 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.7 C1COC=C1C(=O)O PI-48370 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.7 ClC(=O)c1cscc1 PI-10762 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,0,0,0|1,0,2]=4 72 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [1,0,0,0,0,0|0,0,0]=1 74 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,0,0|1,0,1]=3 75 B8R1.7 OC(=O)c1cccs1 PI-38239 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.7 OC(=O)c1ccno1 PI-29335 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.7 OC(=O)c1cocn1 PI-43182 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.7 OC(=O)c1cscc1 PI-10764 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.7 OC(=O)c1cscn1 PI-28011 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.7 OC(=O)c1n[nH]cn1 PI-10407 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.7 [O-][N+](=O)c1cc[nH]n1 PI-36856 [1,0,0,0,0,0|1,0,1]=3 82 B8R1.7 [O-][N+](=O)c1n[nH]cn1 PI-31126 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.14 CC1=NC(=CO1)C(=O)OC PI-48165 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.14 COC(=O)c1cc([nH]n1)N PI-39462 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.14 COC(=O)c1cc(no1)O PI-36768 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.14 O=C(C1=CSC(C)=N1)OC PI-40824 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.31 CCC1=NC=C(S1)C(=O)O PI-36607 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.31 N#Cc1c[nH]c(c1)C(=O)O PI-36278 [0,1,0,0,0,0|1,0,2]=4 98 B10R1.31 OCc1ccc(o1)C(=O)O PI-19793 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.58 OC(=O)c1cc(c(s1)Br)Cl PI-39422 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.58 OC(=O)c1nn(C)c(C)c1 PI-21985 [0,1,0,0,0,0|0,0,0]=1 103 B10R1.58 OC(=O)c1oc(C)c(C)c1 PI-17532 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.58 OC(=O)c1sc(Br)c(Br)c1 PI-26016 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.59 Brc1sc(c(c1)C(=O)O)Br PI-35047 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.59 CC1=C(SC(=N1)C)C(=O)O PI-21993 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.59 CC1=CC(=C(O1)C)C(=O)C PI-26051 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.59 CC1=CC(=C(O1)C)C(=O)Cl PI-23851 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.59 CC1=NN(C(=C1)C(=O)Cl)C PI-21981 [0,1,0,0,0,0|1,0,2]=4 112 B10R1.59 CC1=NN(C(=C1)C(=O)N)C PI-21983 [0,1,0,0,0,0|1,0,2]=4 113 B10R1.59 CC1=NN(C(=C1)C(=O)O)C PI-21984 [0,1,0,0,0,0|0,0,2]=3 114 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.59 Clc1sc(c(c1)C(=O)O)Cl PI-18502 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.194 OC(=O)c1snc(c1Cl)Cl PI-34849 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [0,0,1,0,0,0|2,0,1]=4 120 B10R1.13 B(C1=NC=C(C=C1)C)(O)O PI-25499 [0,0,0,0,0,1|2,0,1]=4 121 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,0,0,0,0,1|2,0,1]=4 123 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,0,0,0,0,1|2,0,0]=3 124 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,0,0,0,0,1|2,0,0]=3 125 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,0,0,0,0,1|2,0,1]=4 128 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,0,0,0,0,1|2,0,1]=4 129 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,0,0,0,0,1|2,0,1]=4 130 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,0,0,0,0,1|2,0,0]=3 131 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,0,0,0,0,1|3,0,0]=4 134 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,0,0,0,0,1|2,0,1]=4 136 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,0,0,0,0,1|1,0,1]=3 138 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,0,0,0,0,1|1,0,0]=2 139 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [0,0,0,0,0,1|1,0,1]=3 140 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,0,0,0,0,1|2,0,0]=3 144 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,0,0,0,0,1|2,0,1]=4 145 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,0,0,0,0,1|1,0,1]=3 146 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,0,0,0,0,1|2,0,0]=3 147 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,0,0,0,0,1|1,0,1]=3 148 B10R1.54 CC(=O)NC1=NNC(=S)S1 PI-11024 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.113 B(C1=CC(=CN=C1)C)(O)O PI-25250 [0,0,0,0,0,1|2,0,1]=4 151 B10R1.113 B(C1=NC=CC(=C1)C)(O)O PI-25498 [0,0,0,0,0,1|2,0,1]=4 152 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,0,0,0,0,1|2,0,1]=4 154 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,0,0,0,0,1|2,0,0]=3 155 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,0,0,0,0,1|2,0,0]=3 156 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,0,0,0,0,1|2,0,0]=3 158 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,0,0,0,0,1|3,0,0]=4 159 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,0,0,0,0,1|3,0,0]=4 160 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,0,0,0,0,1|2,0,1]=4 162 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,0,0,0,0,1|2,0,1]=4 163 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,0,0,0,0,1|2,0,0]=3 165 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,0,0,0,0,1|2,0,1]=4 166 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,0,0,0,0,1|2,0,0]=3 167 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,0,0,0,0,1|1,0,0]=2 170 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,0,0,0,0,1|2,0,1]=4 172 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,0,0,0,0,1|2,0,1]=4 174 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [0,0,0,0,0,1|1,0,1]=3 175 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,0,0,0,0,1|2,0,1]=4 176 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,0,0,0,0,1|2,0,1]=4 178 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,0,0,0,0,1|1,0,1]=3 180 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.113 OC(=O)[C@@H]1CCNC(=N1)C PI-38939 [0,0,0,0,0,1|2,0,1]=4 183 B10R1.113 OC(=O)c1cc(Cl)nnc1 PI-38264 [0,0,0,0,0,1|1,0,1]=3 184 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,0,0,0,0,1|1,0,1]=3 187 B10R1.113 [O-][N+](=O)c1cc(C)ccn1 PI-28226 [0,0,0,0,0,1|2,0,1]=4 188 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [1,0,1,0,0,0|1,0,0]=3 189 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [2,0,0,0,0,0|2,0,0]=4 190 B7R1.1 C1=C(N=CS1)C=O PI-25454 [2,0,0,0,0,0|2,0,0]=4 191 B7R1.1 C1=C(N=NS1)C=O PI-29425 [2,0,0,0,0,0|1,0,1]=4 192 B7R1.1 C1=CNC=C1C=O PI-34088 [2,0,0,0,0,0|1,0,0]=3 193 B7R1.1 C1=CSC(=C1)C=O PI-44709 [2,0,0,0,0,0|2,0,0]=4 194 B7R1.1 O=CC1=NC=CO1 PI-39572 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [2,0,0,0,0,0|0,0,0]=2 196 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [2,0,0,0,0,0|1,0,1]=4 197 B7R1.1 O=Cc1cscc1 PI-10763 [2,0,0,0,0,0|2,0,0]=4 198 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [2,0,0,0,0,0|2,0,0]=4 199 B7R1.1 O=Cc1nccs1 PI-11133 [2,0,0,0,0,0|2,0,0]=4 200 B7R1.2 BrC1=CC(Br)=NN1 PI-46828 [2,0,0,0,0,0|2,0,0]=4 201 B7R1.2 C1=C(NNC1=O)N PI-30770 [2,0,0,0,0,0|1,0,1]=4 202 B7R1.2 CC1=CC(=NO1)C PI-11253 [2,0,0,0,0,0|1,0,1]=4 203 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [2,0,0,0,0,0|0,0,1]=3 204 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [2,0,0,0,0,0|0,0,1]=3 205 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [2,0,0,0,0,0|1,0,1]=4 206 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [2,0,0,0,0,0|0,0,1]=3 207 B7R1.2 Nc1noc(c1)C PI-33190 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.22 CC1=CC(=C(S1)C)C=O PI-29416 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.22 CC1=NN(C(=C1)C=O)C PI-21982 [1,1,0,0,0,0|0,0,2]=4 210 B9R1.23 CC1=C(SC(=N1)C=O)C PI-45028 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [1,1,0,0,0,0|0,0,2]=4 213 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [1,1,0,0,0,0|2,0,0]=4 214 B9R1.11 COC(=O)C1=NNN=C1 PI-44893 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.11 COC(=O)C1=NNN=C1 PI-44918 [1,1,0,0,0,0|1,0,0]=3 216 B9R1.11 COC(=O)c1cccs1 PI-30692 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [1,1,0,0,0,0|1,0,1]=4 218 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [1,1,0,0,0,0|1,0,0]=3 219 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.41 C1=NNC(=C1C(=O)O)N PI-13600 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.41 OC(=O)c1occc1Br PI-39205 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.41 OC(=O)c1sccc1O PI-36902 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [0,1,0,0,0,1|1,0,1]=4 232 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,1,0,0,0,1|1,0,1]=4 234 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,1,0,0,0,1|1,0,0]=3 235 B11R1.3 COc1ncc(nc1)C(=O)O PI-38849 [0,1,0,0,0,1|1,0,0]=3 236 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl PI-16724 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O PI-11485 [0,1,0,0,0,1|1,0,0]=3 247 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [0,1,0,0,0,1|1,0,1]=4 250 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.22 CC1=CN=C(C=N1)C(=O)NN PI-50303 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [0,1,0,0,0,1|1,0,1]=4 256 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [0,1,0,0,0,1|1,0,0]=3 257 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 PI-11037 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [0,1,0,0,0,1|1,0,0]=3 262 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [0,1,0,0,0,1|1,0,0]=3 263 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,1,0,0,0,1|1,0,1]=4 264 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,1,0,0,0,1|1,0,1]=4 269 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,1,0,0,0,1|2,0,0]=4 270 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PI-38426 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.23 COC(=O)c1cnnc(c1)Cl PI-38433 [0,1,0,0,0,1|1,0,1]=4 275 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl PI-50621 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O PI-41126 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)O PI-49440 [0,1,0,0,0,1|1,0,1]=4 278 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.159 CC1=C(N=CN=C1Cl)C(=O)O PI-36441 [0,1,0,0,0,1|1,0,1]=4 286 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.167 Brc1cnc(N)c(c1)C(=O)O PI-22190 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.167 C1=C(C(=NN=C1Cl)Cl)C(=O)O PI-41119 [0,1,0,0,0,1|1,0,1]=4 289 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O PI-12916 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.167 C1=C(C(=O)NC=C1Cl)C(=O)O PI-30553 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.167 C1=C(C=NC(=C1C(=O)O)Cl)Br PI-24300 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [0,1,0,0,0,1|1,0,0]=3 305 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [0,1,0,0,0,1|1,0,0]=3 307 B11R1.266 COC1=NC=CC(=C1)C(=O)O PI-28037 [0,1,0,0,0,1|1,0,1]=4 308 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [0,1,0,0,0,1|1,0,0]=3 309 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.15 CCOC(=O)C1=NOC(=C1)C PI-29478 [0,2,0,0,0,0|1,0,0]=3 311 B11R1.225 CC1=CC(=C(N1)C)C(=O)OC PI-30859 [0,2,0,0,0,0|1,0,0]=3 312 B11R1.865 CC1=CSC(=C1Cl)C(=O)OC PI-26211 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.865 CC1=CSC(=C1N)C(=O)OC PI-15244 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.175 C1=C(NN=C1C(=O)O)C(=O)O PI-50562 [0,2,0,0,0,0|0,0,1]=3 315 B11R1.175 O=C(C1=NNC([N+]([O-])=O)=C1)O PI-41834 [0,2,0,0,0,0|1,0,0]=3 316 B11R1.175 OC(=O)c1[nH]nc(c1)C(=O)O PI-13603 [0,2,0,0,0,0|0,0,1]=3 317 B11R1.672 OC(=O)c1nn(C)c(C)c1Br PI-21399 [0,2,0,0,0,0|0,0,0]=2 318 B11R1.49 CCN1C(=CC(=N1)C)C(=O)O PI-29644 [0,2,0,0,0,0|0,0,2]=4 319 B11R1.673 CC1=NN(C(=C1Br)C(=O)O)C PI-21400 [0,2,0,0,0,0|0,0,2]=4 320 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,1,1,0,0|1,0,1]=4 321 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,1,1,0,0|2,0,0]=4 322 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [1,0,0,0,0,1|2,0,0]=4 323 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,0,0,0,0,1|2,0,0]=4 324 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [1,0,0,0,0,1|1,0,0]=3 325 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [1,0,0,0,0,1|2,0,0]=4 326 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [1,0,0,0,0,1|2,0,0]=4 327 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [1,0,0,0,0,1|2,0,0]=4 328 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [1,0,0,0,0,1|2,0,0]=4 329 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [1,0,0,0,0,1|2,0,0]=4 330 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [1,0,0,0,0,1|2,0,0]=4 331 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [1,0,0,0,0,1|2,0,0]=4 332 B9R1.13 OC(=O)Cc1n[nH]nn1 PI-12070 [1,0,0,0,0,1|2,0,0]=4 333 B11R1.20 C1=C(C=NC(=N1)CC(=O)O)F PI-45132 [0,0,0,0,0,2|2,0,0]=4 334 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,0,0,0,0,2|2,0,0]=4 335 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,0,0,0,0,2|1,0,0]=3