0 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 BrC1=CSC2=NC=CC=C21 PI-46726 [0,0,0,0,0,0|3,1,0]=4 2 B11R2.1 BrC1=NNC2=C1C=CN=C2 PI-46689 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 C1=CC2=C(NC=C2Br)N=C1 PI-41228 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 C1=CC2=C(NC=C2Cl)N=C1 PI-42708 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.1 C1=CC2=NN=C(N2C=C1)Br PI-44880 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.1 C1=CC2=NNC(=O)N2C=C1 PI-11229 [0,0,0,0,0,0|2,0,2]=4 8 B11R2.1 C1=CC2=NO[N+](=C2C=C1)[O-] PI-32324 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,0,0,0|3,0,0]=3 10 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,0,0,0|2,0,0]=2 11 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,0,0,0,0,0|2,1,0]=3 12 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,0,0,0|1,1,0]=2 13 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,0,0,0,0,0|1,0,0]=1 14 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [0,0,0,0,0,0|1,1,0]=2 15 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [0,0,0,0,0,0|0,1,2]=3 16 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,0,0,0,0,0|3,0,1]=4 17 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [0,0,0,0,0,0|3,0,0]=3 18 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,0,0,0|1,0,1]=2 19 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,0,0,0|1,0,1]=2 20 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,0,0,0,0,0|3,0,1]=4 21 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,0,0,0|2,0,1]=3 22 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,0,0,0,0,0|3,0,1]=4 23 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,0,0,0|2,1,0]=3 24 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [0,0,0,0,0,0|3,0,0]=3 25 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [0,0,0,0,0,0|4,0,0]=4 26 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,0,0,0|3,0,0]=3 27 B11R2.1 ClC1=CNC2=C1C=NC=C2 PI-36987 [0,0,0,0,0,0|4,0,0]=4 28 B11R2.1 ClC1=NN=C2C=CC=CN21 PI-46802 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,0,0,0,0,0|1,0,0]=1 30 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,0,0,0,0,0|4,0,0]=4 31 B11R2.1 NC1=CNC2=C1C=NC=C2 PI-36984 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.1 NC1=NSC2=NC=CC=C21 PI-46733 [0,0,0,0,0,0|2,1,0]=3 33 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,0,0,0,0,0|3,0,1]=4 34 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,0,0,0,0,0|3,0,1]=4 35 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,0,0,0,0,0|3,0,1]=4 36 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,0,0,0|1,1,1]=3 37 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,0,0,0,0,0|2,0,1]=3 38 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [0,0,0,0,0,0|1,1,1]=3 39 B11R2.1 On1nnc2ccccc12 PI-15275 [0,0,0,0,0,0|2,0,0]=2 40 B11R2.1 On1nnc2ccccc12 PI-15359 [0,0,0,0,0,0|2,0,0]=2 41 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,0,0,0|1,0,2]=4 42 B10R2.7 C1=CC2=NC=CN2C=C1 PI-45016 [1,0,0,0,0,0|3,0,0]=4 43 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,0,0,0|2,0,0]=3 44 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,0,0,0|2,0,0]=3 45 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [1,0,0,0,0,0|2,1,0]=4 46 B10R2.7 C1=CN=CC2=C1C=NN2 PI-50033 [1,0,0,0,0,0|2,0,0]=3 47 B10R2.7 C1=C[NH]C2=C1C=CN=C2 PI-10410 [1,0,0,0,0,0|3,0,0]=4 48 B10R2.7 C1=C[NH]C2=C1C=NC=C2 PI-10409 [1,0,0,0,0,0|3,0,0]=4 49 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,0,0,0|2,0,1]=4 50 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,0,0,0|1,0,1]=3 51 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [1,0,0,0,0,0|2,0,0]=3 52 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,0,0,0|3,0,0]=4 53 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,0,0,0|1,0,0]=2 54 B10R2.7 c1ccc2c(c1)non2 PI-38745 [1,0,0,0,0,0|3,0,0]=4 55 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,0,0,0|1,1,0]=3 56 B10R2.7 c1ccc2cncn2c1 PI-36857 [1,0,0,0,0,0|2,0,0]=3 57 B10R2.7 c1ccc2nsnc2c1 PI-11675 [1,0,0,0,0,0|3,0,0]=4 58 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [1,0,0,0,0,0|3,0,0]=4 59 B10R2.7 c1cnc2c(c1)[nH]cc2 PI-10408 [1,0,0,0,0,0|3,0,0]=4 60 B10R2.7 c1ncc2sccc2c1 PI-36075 [1,0,0,0,0,0|2,1,0]=4 61 B12R2.1 BrCC1=NOC2=CC=CC=C12 PI-42779 [0,1,0,0,0,0|1,0,0]=2 62 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O PI-16169 [0,1,0,0,0,0|2,0,1]=4 63 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O PI-18657 [0,1,0,0,0,0|1,1,1]=4 64 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,1,0,0,0,0|2,1,0]=4 65 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CO PI-48272 [0,1,0,0,0,0|0,0,0]=1 66 B12R2.1 C1=CC=C2C(=C1)N=NN2C=O PI-47021 [0,1,0,0,0,0|2,0,1]=4 67 B12R2.1 C1=CC=C2C(=C1)N=NN2CCl PI-47020 [0,1,0,0,0,0|3,0,0]=4 68 B12R2.1 C1=CC=CC2=C1[NH]C=C2C#N PI-10233 [0,1,0,0,0,0|3,0,0]=4 69 B12R2.1 C1CC(=NO)C2=CC=CC=C21 PI-16549 [0,1,0,0,0,0|2,0,0]=3 70 B12R2.1 O=Cc1coc2c1cccc2 PI-39293 [0,1,0,0,0,0|1,0,1]=3 71 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,0,0,0|2,0,0]=3 72 B12R2.18 Brc1c(Br)sc2c1cccc2 PI-40411 [0,1,0,0,0,0|2,1,0]=4 73 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,1,0,0,0,0|2,0,1]=4 74 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [0,1,0,0,0,0|2,0,1]=4 75 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,1,0,0,0,0|3,0,0]=4 76 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,1,0,0,0,0|2,0,1]=4 77 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,1,0,0,0,0|2,0,1]=4 78 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,1,0,0,0,0|2,0,1]=4 79 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,0,0,0|1,0,1]=3 80 B12R2.132 Brc1ccc2c(c1)C(=O)NC2 PI-39244 [0,1,0,0,0,0|1,0,2]=4 81 B12R2.132 C1=CC2=NNC(=C2C=C1Br)F PI-44016 [0,1,0,0,0,0|2,0,1]=4 82 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 PI-30728 [0,1,0,0,0,0|2,0,1]=4 83 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,1,0,0,0,0|2,0,1]=4 84 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,1,0,0,0,0|2,0,1]=4 85 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [0,1,0,0,0,0|3,0,0]=4 86 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,0,0,0|2,0,0]=3 87 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl PI-30258 [0,1,0,0,0,0|2,1,0]=4 88 B12R2.132 CC1=CSC2=C1C=C(C=C2)F PI-23747 [0,1,0,0,0,0|2,1,0]=4 89 B12R2.132 CC1=NNC2=NC=C(Br)C=C21 PI-46814 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.132 CN1C2=C(C=CC(=C2)Br)C=N1 PI-34954 [0,1,0,0,0,0|3,0,0]=4 91 B12R2.132 ClC1=CC2=C(NN=C2Br)C=C1 PI-46753 [0,1,0,0,0,0|2,0,0]=3 92 B12R2.132 ClC1=NNC2=C1C=C(Br)C=C2 PI-46782 [0,1,0,0,0,0|2,0,0]=3 93 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,1,0,0,0,0|2,0,1]=4 94 B12R2.132 Clc1ccc2nnn(O)c2c1 PI-17754 [0,1,0,0,0,0|2,0,0]=3 95 B12R2.132 FC1=CC2=C(NN=C2Br)C=C1 PI-46755 [0,1,0,0,0,0|2,0,0]=3 96 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,0,0,0|2,0,1]=4 97 B12R2.132 Nc1ccc2COB(O)c2c1 PI-25069 [0,1,0,0,0,0|3,0,0]=4 98 B12R2.132 Nc1ccc2cnn(C)c2c1 PI-34953 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,0,0,0|2,0,1]=4 100 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [0,1,0,0,0,0|3,0,0]=4 101 B12R2.196 BrC1=C2C(C(CS2)=O)=CC=C1 PI-38352 [0,1,0,0,0,0|1,1,1]=4 102 B12R2.196 C1C(=O)C2=C(O1)C(=CC=C2)I PI-32748 [0,1,0,0,0,0|1,0,1]=3 103 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,1,0,0,0,0|2,0,1]=4 104 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,0,0,0|2,0,1]=4 105 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,1,0,0,0,0|2,0,1]=4 106 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,1,0,0,0,0|2,0,1]=4 107 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,1,0,0,0,0|2,0,1]=4 108 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)Cl PI-34935 [0,1,0,0,0,0|3,0,0]=4 109 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)F PI-34937 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)I PI-34936 [0,1,0,0,0,0|3,0,0]=4 111 B12R2.196 CN1C2=CC=CC(=C2C=N1)N PI-34933 [0,1,0,0,0,0|3,0,0]=4 112 B12R2.196 CN1N=CC2=C(Br)C=CC=C12 PI-34934 [0,1,0,0,0,0|3,0,0]=4 113 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,1,0,0,0,0|2,0,1]=4 114 B12R2.196 O=C1COc2c1cccc2Br PI-32747 [0,1,0,0,0,0|1,0,1]=3 115 B12R2.203 C1=CC2=C(C(=C1)Cl)C(=O)NO2 PI-34869 [0,1,0,0,0,0|0,0,2]=3 116 B12R2.203 C1=CC2=C(C(=C1)I)C(=NN2)N PI-45020 [0,1,0,0,0,0|2,0,0]=3 117 B12R2.203 C1=CC2=NNC(=C2C(=C1)Br)Cl PI-50044 [0,1,0,0,0,0|2,0,1]=4 118 B12R2.203 C1C(=O)C2=C(O1)C=CC=C2Cl PI-32752 [0,1,0,0,0,0|1,0,1]=3 119 B12R2.203 C1CC(=O)C2=C1C=CC=C2F PI-32734 [0,1,0,0,0,0|2,0,1]=4 120 B12R2.203 C1CC(=O)C2=C1C=CC=C2I PI-32736 [0,1,0,0,0,0|2,0,1]=4 121 B12R2.203 CN1C2=C(C=CC=C2Br)C=N1 PI-34903 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.203 CN1C2=C(C=CC=C2N)C=N1 PI-34896 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.203 NC1=NC=CC2=C1C(Br)=CO2 PI-41956 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.203 O=C1CCc2c1c(Br)ccc2 PI-32735 [0,1,0,0,0,0|2,0,1]=4 125 B12R2.203 O=C1CCc2c1c(Cl)ccc2 PI-31373 [0,1,0,0,0,0|2,0,1]=4 126 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,1,0,0,0,0|1,0,2]=4 127 B12R2.612 Brc1ccc2c(c1)cnn2C PI-34948 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.612 Brc1ccc2c(c1)onc2Cl PI-39037 [0,1,0,0,0,0|1,0,0]=2 129 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,0,0,0|2,0,1]=4 130 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,0,0,0|1,0,1]=3 131 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,1,0,0,0,0|2,0,1]=4 132 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,1,0,0,0,0|2,0,1]=4 133 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,1,0,0,0,0|1,0,2]=4 134 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,1,0,0,0,0|2,0,1]=4 135 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,0,0,0|2,0,1]=4 136 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,0,0,0|2,0,1]=4 137 B12R2.612 CC1=C2C=CC(=CC2=NN1)N PI-45010 [0,1,0,0,0,0|2,0,1]=4 138 B12R2.612 CN1C2=C(C=C(C=C2)I)C=N1 PI-34951 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.612 CN1C2=C(C=C(C=C2)N)C=N1 PI-34947 [0,1,0,0,0,0|3,0,0]=4 140 B12R2.612 ClC1=NNC2=C1C=CC(Br)=C2 PI-46682 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,0,0,0|2,0,1]=4 142 B12R2.612 FC1=CC2=C(C=C1)C(Br)=NN2 PI-46756 [0,1,0,0,0,0|2,0,0]=3 143 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,0,0,0|2,0,1]=4 144 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,0,0,0|2,0,1]=4 145 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,1,0,0,0,0|1,0,2]=4 146 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,1,0,0,0,0|2,0,1]=4 147 B12R2.612 OC1=CC2=C(N(C)N=C2)C=C1 PI-46693 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,0,0,0|2,0,1]=4 149 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [0,1,0,0,0,0|2,0,1]=4 150 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [0,1,0,0,0,0|2,0,1]=4 151 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,1,0,0,0,0|2,0,1]=4 152 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [0,1,0,0,0,0|2,0,0]=3 153 B12R2.2028 N=C1NC(=N)c2ccccc12 PI-37309 [0,1,0,0,0,0|2,0,1]=4 154 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [0,0,1,0,0,0|2,0,0]=3 156 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,0,1,0,0,0|2,0,1]=4 157 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,0,1,0,0,0|1,0,2]=4 158 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,0,1,0,0,0|0,0,2]=3 159 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,0,1,0,0,0|2,0,1]=4 160 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,0,1,0,0,0|2,0,1]=4 161 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,0,1,0,0,0|2,0,1]=4 162 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,0,1,0,0,0|2,0,1]=4 163 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,0,1,0,0,0|1,0,1]=3 164 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,0,1,0,0,0|1,0,0]=2 165 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,0,1,0,0,0|2,0,1]=4 166 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,0,1,0,0,0|2,0,1]=4 167 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,0,1,0,0,0|2,0,1]=4 168 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,0,1,0,0,0|1,0,2]=4 169 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,0,1,0,0,0|3,0,0]=4 170 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,0,1,0,0,0|2,0,1]=4 171 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,0,1,0,0,0|2,0,1]=4 172 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,0,1,0,0,0|2,0,1]=4 173 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,0,1,0,0,0|1,0,1]=3 174 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,0,1,0,0,0|1,0,1]=3 175 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,0,1,0,0,0|2,0,1]=4 176 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,0,1,0,0,0|2,0,1]=4 177 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,0,1,0,0,0|1,0,1]=3 178 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,0,1,0,0,0|1,0,0]=2 179 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,0,1,0,0,0|1,0,0]=2 180 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [0,0,1,0,0,0|2,0,1]=4 181 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [0,0,1,0,0,0|1,1,1]=4 182 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [0,0,1,0,0,0|1,0,2]=4 183 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [0,0,1,0,0,0|2,0,1]=4 184 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [0,0,1,0,0,0|2,0,1]=4 185 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [0,0,1,0,0,0|2,0,1]=4 186 B10R1.17 C=CCOc1ccccc1 PI-36466 [0,0,1,0,0,0|2,0,0]=3 187 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [0,0,1,0,0,0|2,0,1]=4 188 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [0,0,1,0,0,0|3,0,0]=4 189 B10R1.20 C#CC1=CC=CC=C1C=O PI-26604 [0,0,1,0,0,0|2,0,1]=4 190 B10R1.20 C#Cc1ccccc1OC PI-30918 [0,0,1,0,0,0|2,0,1]=4 191 B10R1.20 C1=CC=C(C(=C1)C=O)C#N PI-11835 [0,0,1,0,0,0|1,0,2]=4 192 B10R1.20 C1=CC=C(C(=C1)CO)CO PI-11672 [0,0,1,0,0,0|2,0,1]=4 193 B10R1.20 CCC1=CC=CC=C1C=O PI-35265 [0,0,1,0,0,0|2,0,1]=4 194 B10R1.20 COC1=C(C=NC=C1)C=O PI-50082 [0,0,1,0,0,0|2,0,1]=4 195 B10R1.20 COC1=CC=CC=C1CN PI-31715 [0,0,1,0,0,0|2,0,1]=4 196 B10R1.20 COC1=CC=CC=C1NN PI-29852 [0,0,1,0,0,0|3,0,0]=4 197 B10R1.20 COC1=CC=CC=C1NN PI-50513 [0,0,1,0,0,0|3,0,0]=4 198 B10R1.20 COC1=CC=CC=C1SC PI-11860 [0,0,1,0,0,0|3,0,0]=4 199 B10R1.20 COc1ccccc1CCl PI-34182 [0,0,1,0,0,0|2,0,1]=4 200 B10R1.20 COc1ncccc1C=O PI-26862 [0,0,1,0,0,0|2,0,1]=4 201 B10R1.20 CSC1=CC=CC=C1C=O PI-27861 [0,0,1,0,0,0|1,1,1]=4 202 B10R1.20 N#Cc1ccccc1CO PI-38221 [0,0,1,0,0,0|1,0,2]=4 203 B10R1.20 N#Cc1ccccc1OC PI-11857 [0,0,1,0,0,0|2,0,1]=4 204 B10R1.20 O=Cc1ccccc1C=O PI-31254 [0,0,1,0,0,0|2,0,1]=4 205 B10R1.61 B(C1=CC=CC=C1N)(O)O PI-31530 [0,0,1,0,0,0|3,0,0]=4 206 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,0,1,0,0,0|3,0,0]=4 207 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,0,1,0,0,0|1,0,2]=4 208 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,0,1,0,0,0|1,0,2]=4 209 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,0,1,0,0,0|1,0,2]=4 210 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,0,1,0,0,0|2,0,0]=3 211 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,0,1,0,0,0|1,1,0]=3 212 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,0,1,0,0,0|2,0,1]=4 213 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [0,0,1,0,0,0|1,1,1]=4 214 B10R1.61 C1=CC=CC(=C1B(O)O)Br PI-39926 [0,0,1,0,0,0|3,0,0]=4 215 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,0,1,0,0,0|3,0,0]=4 216 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,0,1,0,0,0|3,0,0]=4 217 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,0,1,0,0,0|3,0,0]=4 218 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,0,1,0,0,0|2,1,0]=4 219 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,0,1,0,0,0|2,0,1]=4 220 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,0,1,0,0,0|2,0,1]=4 221 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,0,1,0,0,0|2,0,1]=4 222 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,0,1,0,0,0|2,0,1]=4 223 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,0,1,0,0,0|2,0,1]=4 224 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,0,1,0,0,0|2,0,1]=4 225 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,0,1,0,0,0|2,0,1]=4 226 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,0,1,0,0,0|2,0,1]=4 227 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [0,0,1,0,0,0|2,0,1]=4 228 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [0,0,1,0,0,0|2,0,1]=4 229 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,0,1,0,0,0|3,0,0]=4 230 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,0,1,0,0,0|3,0,0]=4 231 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,0,1,0,0,0|2,0,1]=4 232 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,0,1,0,0,0|2,0,1]=4 233 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [0,0,1,0,0,0|2,0,1]=4 234 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [0,0,1,0,0,0|2,0,1]=4 235 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [0,0,1,0,0,0|2,0,1]=4 236 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [0,0,1,0,0,0|2,0,1]=4 237 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,0,1,0,0,0|2,0,1]=4 238 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [0,0,1,0,0,0|1,1,1]=4 239 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [0,0,1,0,0,0|0,1,1]=3 240 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,0,1,0,0,0|3,0,0]=4 241 B10R1.61 OB(c1ccccc1C)O PI-10305 [0,0,1,0,0,0|3,0,0]=4 242 B10R1.61 OB(c1ccccc1F)O PI-28003 [0,0,1,0,0,0|3,0,0]=4 243 B10R1.61 OB(c1ccccc1O)O PI-37992 [0,0,1,0,0,0|2,0,0]=3 244 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,0,1,0,0,0|2,0,0]=3 245 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,0,1,0,0,0|3,0,0]=4 246 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,0,1,0,0,0|3,0,0]=4 247 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,0,1,0,0,0|3,0,0]=4 248 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,0,1,0,0,0|2,0,0]=3 249 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,0,1,0,0,0|3,0,0]=4 250 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,0,1,0,0,0|3,0,0]=4 251 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,0,1,0,0,0|3,0,0]=4 252 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,0,1,0,0,0|2,0,0]=3 253 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,0,1,0,0,0|3,0,0]=4 254 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,0,1,0,0,0|3,0,0]=4 255 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,0,1,0,0,0|3,0,0]=4 256 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,0,1,0,0,0|3,0,0]=4 257 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,0,1,0,0,0|3,0,0]=4 258 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,0,1,0,0,0|3,0,0]=4 259 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,0,1,0,0,0|2,0,0]=3 260 B10R1.61 OC(=O)c1nccnc1O PI-29323 [0,0,1,0,0,0|3,0,0]=4 261 B10R1.61 SC1=CC=CC=C1B(O)O PI-40744 [0,0,1,0,0,0|2,1,0]=4 262 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,0,1,0|1,0,1]=3 263 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [0,0,0,0,1,0|2,0,1]=4 264 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [0,0,0,0,0,1|3,0,0]=4 265 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [0,0,0,0,0,1|3,0,0]=4 266 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,0,0,1|1,0,2]=4 267 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [0,0,0,0,0,1|3,0,0]=4 268 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,0,0,0,0,1|2,0,0]=3 269 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [0,0,0,0,0,1|3,0,0]=4 270 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [0,0,0,0,0,1|3,0,0]=4 271 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [0,0,0,0,0,1|2,1,0]=4 272 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl PI-49348 [0,0,0,0,0,1|3,0,0]=4 273 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,0,0,1|2,0,1]=4 274 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [0,0,0,0,0,1|3,0,0]=4 275 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,0,0,1|2,0,1]=4 276 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,0,0,1|2,0,1]=4 277 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [0,0,0,0,0,1|3,0,0]=4 278 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [0,0,0,0,0,1|3,0,0]=4 279 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [0,0,0,0,0,1|3,0,0]=4 280 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [0,0,0,0,0,1|3,0,0]=4 281 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [0,0,0,0,0,1|3,0,0]=4 282 B12R2.24 NC1=NC=C2C=CC=CC2=N1 PI-46795 [0,0,0,0,0,1|2,0,0]=3 283 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [0,0,0,0,0,1|3,0,0]=4 284 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [0,0,0,0,0,1|3,0,0]=4 285 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [0,0,0,0,0,1|2,0,0]=3 286 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,0,0,1|2,0,1]=4 287 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,0,0,1|2,0,1]=4 288 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,0,0,1|1,1,1]=4 289 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,0,0,1|2,0,1]=4 290 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [0,0,0,0,0,1|3,0,0]=4 291 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [0,0,0,0,0,1|3,0,0]=4 292 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,0,0,0,0,1|2,0,0]=3 293 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [0,0,0,0,0,1|3,0,0]=4 294 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [0,0,0,0,0,1|2,1,0]=4 295 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [0,0,0,0,0,1|3,0,0]=4 296 B12R2.1081 Brc1ccnc2c1cccc2 PI-33930 [0,0,0,0,0,1|3,0,0]=4 297 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 PI-32036 [0,0,0,0,0,1|3,0,0]=4 298 B12R2.1081 C1=CC2=C(C(=NC=C2)N)N=C1 PI-14582 [0,0,0,0,0,1|3,0,0]=4 299 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [0,0,0,0,0,1|2,0,1]=4 300 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [0,0,0,0,0,1|1,0,1]=3 301 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [0,0,0,0,0,1|2,1,0]=4 302 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Br PI-16539 [0,0,0,0,0,1|2,0,0]=3 303 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl PI-29294 [0,0,0,0,0,1|2,0,0]=3 304 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2Br PI-11110 [0,0,0,0,0,1|2,0,0]=3 305 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2F PI-42940 [0,0,0,0,0,1|2,0,0]=3 306 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [0,0,0,0,0,1|1,0,2]=4 307 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [0,0,0,0,0,1|2,0,1]=4 308 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,0,0,0,0,1|2,0,1]=4 309 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [0,0,0,0,0,1|1,0,2]=4 310 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,0,0,0,0,1|2,0,1]=4 311 B12R2.1081 C1COC2=C(C1O)N=CC=C2 PI-36563 [0,0,0,0,0,1|2,0,1]=4 312 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [0,0,0,0,0,1|1,1,1]=4 313 B12R2.1081 Cc1ccnc2ccccc12 PI-16520 [0,0,0,0,0,1|3,0,0]=4 314 B12R2.1081 Cc1nccc2ccccc12 PI-29203 [0,0,0,0,0,1|2,0,0]=3 315 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [0,0,0,0,0,1|3,0,0]=4 316 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [0,0,0,0,0,1|3,0,0]=4 317 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [0,0,0,0,0,1|3,0,0]=4 318 B12R2.1081 Ic1ccnc2ccccc12 PI-36504 [0,0,0,0,0,1|3,0,0]=4 319 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [0,0,0,0,0,1|2,0,1]=4 320 B12R2.1081 Nc1cncc2ccccc12 PI-29375 [0,0,0,0,0,1|2,0,0]=3 321 B12R2.1081 Nc1nccc2c1cccc2 PI-17133 [0,0,0,0,0,1|2,0,0]=3 322 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [0,0,0,0,0,1|1,0,1]=3 323 B12R2.1081 O=C1NN=NC2=CC=CC=C12 PI-40803 [0,0,0,0,0,1|1,0,1]=3 324 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [0,0,0,0,0,1|2,0,1]=4 325 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [0,0,0,0,0,1|2,0,1]=4 326 B12R2.1081 Oc1cccc2ncccc12 PI-29714 [0,0,0,0,0,1|3,0,0]=4 327 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [1,0,1,0,0,0|2,0,0]=4 328 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,1,0,0,0|1,0,1]=4 329 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,0,1,0,0,0|1,0,1]=4 330 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [1,0,1,0,0,0|2,0,0]=4 331 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [1,0,1,0,0,0|2,0,0]=4 332 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,1,0,0,0|1,0,1]=4 333 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,1,0,0,0|1,0,1]=4 334 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [1,0,1,0,0,0|2,0,0]=4 335 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [1,0,1,0,0,0|2,0,0]=4 336 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,1,0,0,0|1,0,0]=3 337 B9R1.6 NC(=N)c1ccccn1 PI-30669 [1,0,1,0,0,0|2,0,0]=4 338 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,1,0,0,0|0,1,1]=4 339 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,0,1,0,0,0|1,0,0]=3 340 B9R1.6 OB(c1ccccn1)O PI-25302 [1,0,1,0,0,0|2,0,0]=4 341 B9R1.6 OB(c1ccncc1)O PI-16484 [1,0,1,0,0,0|2,0,0]=4 342 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,0,1,0,0,0|1,0,1]=4 343 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,1,0,0,0|2,0,0]=4 344 B9R1.8 C1=CN=C(N=C1)C=NO PI-32947 [1,0,1,0,0,0|2,0,0]=4 345 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [1,0,1,0,0,0|1,0,0]=3 346 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,1,0,0,0|2,0,0]=4 347 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,1,0,0,0|2,0,0]=4 348 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,1,0,0,0|2,0,0]=4 349 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,1,0,0,0|0,0,2]=4 350 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,0,1,0,0,0|1,0,0]=3 351 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [1,0,1,0,0,0|1,0,1]=4 352 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,0,1,0,0,0|1,0,1]=4 353 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,0,1,0,0,0|1,0,1]=4 354 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,0,1,0,0,0|1,0,1]=4 355 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,0,1,0,0,0|1,0,1]=4 356 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,0,1,0,0,0|0,0,2]=4 357 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [1,0,1,0,0,0|1,0,1]=4 358 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,0,1,0,0,0|2,0,0]=4 359 B9R1.15 C=Cc1ccccc1F PI-33746 [1,0,1,0,0,0|2,0,0]=4 360 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,0,1,0,0,0|1,0,1]=4 361 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,0,1,0,0,0|2,0,0]=4 362 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,0,1,0,0,0|2,0,0]=4 363 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,0,1,0,0,0|2,0,0]=4 364 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,0,1,0,0,0|2,0,0]=4 365 B9R1.15 COc1ccccc1S PI-21364 [1,0,1,0,0,0|1,1,0]=4 366 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,0,1,0,0,0|1,1,0]=4 367 B9R1.15 N#Cc1ccccc1O PI-11836 [1,0,1,0,0,0|0,0,2]=4 368 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,0,1,0,0,0|1,0,1]=4 369 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,0,1,0,0,0|1,0,1]=4 370 B9R1.15 O=Cc1ccccc1F PI-27600 [1,0,1,0,0,0|1,0,1]=4 371 B9R1.15 OCc1ccccc1F PI-28537 [1,0,1,0,0,0|1,0,1]=4 372 B9R1.15 OCc1ccccc1O PI-36548 [1,0,1,0,0,0|0,0,1]=3 373 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [0,1,1,0,0,0|0,0,2]=4 374 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,1,1,0,0,0|1,0,1]=4 375 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [0,1,1,0,0,0|0,0,1]=3 376 B11R1.16 S=C=NC(=O)c1ccccc1 PI-14851 [0,1,1,0,0,0|0,1,1]=4 377 B11R1.22 C1=CC(=CC=C1C(=NO)N)Br PI-14454 [0,1,1,0,0,0|1,0,0]=3 378 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [0,1,1,0,0,0|1,0,0]=3 379 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,1,1,0,0,0|1,0,0]=3 380 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,1,1,0,0,0|1,0,1]=4 381 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,1,1,0,0,0|1,0,1]=4 382 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,1,1,0,0,0|1,0,1]=4 383 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,1,1,0,0,0|1,0,0]=3 384 B11R1.23 CC1=CC(=CC=C1)C(=NO)N PI-19541 [0,1,1,0,0,0|1,0,0]=3 385 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,1,0,0,0|1,0,1]=4 386 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,1,0,0,0|2,0,0]=4 387 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,1,0,0,0|1,0,1]=4 388 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,1,0,0,0|1,0,1]=4 389 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,1,0,0,0|1,0,1]=4 390 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,1,1,0,0,0|1,0,0]=3 391 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [0,1,1,0,0,0|0,0,2]=4 392 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [0,1,1,0,0,0|1,0,1]=4 393 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [0,1,1,0,0,0|1,0,1]=4 394 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [0,1,1,0,0,0|2,0,0]=4 395 B11R1.28 OCCOCc1ccccc1 PI-24526 [0,1,1,0,0,0|1,0,1]=4 396 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,1,1,0,0,0|2,0,0]=4 397 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,1,1,0,0,0|2,0,0]=4 398 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,1,1,0,0,0|1,0,0]=3 399 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,1,1,0,0,0|1,0,1]=4 400 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,1,1,0,0,0|2,0,0]=4 401 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,1,1,0,0,0|2,0,0]=4 402 B11R1.37 COC1=C(C=C(C=C1)Br)C=O PI-31926 [0,1,1,0,0,0|1,0,1]=4 403 B11R1.37 COC1=C(C=C(C=C1)Br)CO PI-45731 [0,1,1,0,0,0|1,0,1]=4 404 B11R1.37 COC1=C(C=C(C=C1)I)C=O PI-26632 [0,1,1,0,0,0|1,0,1]=4 405 B11R1.37 COc1cc(F)ccc1C=O PI-38318 [0,1,1,0,0,0|1,0,1]=4 406 B11R1.37 COc1cc(O)ccc1C=O PI-11990 [0,1,1,0,0,0|1,0,1]=4 407 B11R1.37 O=Cc1cc(Cl)ccc1OC PI-27028 [0,1,1,0,0,0|1,0,1]=4 408 B11R1.41 O\N=C\c1ccccc1OC PI-27438 [0,1,1,0,0,0|1,0,0]=3 409 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [0,1,1,0,0,0|2,0,0]=4 410 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [0,1,1,0,0,0|1,0,1]=4 411 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [0,1,1,0,0,0|2,0,0]=4 412 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [0,1,1,0,0,0|2,0,0]=4 413 B11R1.53 COC1=C(C=CN=C1)C(=O)O PI-28728 [0,1,1,0,0,0|2,0,0]=4 414 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [0,1,1,0,0,0|1,0,1]=4 415 B11R1.53 COc1ccccc1C(=O)C PI-12757 [0,1,1,0,0,0|1,0,1]=4 416 B11R1.53 COc1ccccc1C(=O)Cl PI-11858 [0,1,1,0,0,0|1,0,1]=4 417 B11R1.53 COc1ncccc1C(=O)O PI-16704 [0,1,1,0,0,0|2,0,0]=4 418 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [0,1,1,0,0,0|1,0,1]=4 419 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [0,1,1,0,0,0|2,0,0]=4 420 B11R1.265 COC1=C(C=CC=C1F)C=O PI-10581 [0,1,1,0,0,0|1,0,1]=4 421 B11R1.265 COc1cccc(F)c1C=O PI-27188 [0,1,1,0,0,0|1,0,1]=4 422 B11R1.265 O=CC1=C(OC)C=CC=C1O PI-29855 [0,1,1,0,0,0|1,0,1]=4 423 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)N PI-36015 [0,1,1,0,0,0|2,0,0]=4 424 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F PI-16105 [0,1,1,0,0,0|2,0,0]=4 425 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)N PI-10860 [0,1,1,0,0,0|2,0,0]=4 426 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O PI-34340 [0,1,1,0,0,0|1,0,0]=3 427 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)F PI-34284 [0,1,1,0,0,0|2,0,0]=4 428 B11R1.156 C1=CC(=C(C(=C1)O)C(=O)N)O PI-30464 [0,1,1,0,0,0|0,0,2]=4 429 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [0,1,1,0,0,0|1,0,1]=4 430 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O PI-27811 [0,1,1,0,0,0|2,0,0]=4 431 B11R1.156 OC(=O)c1c(C)cccc1Cl PI-11820 [0,1,1,0,0,0|2,0,0]=4 432 B11R1.156 OC(=O)c1c(C)cccc1F PI-10193 [0,1,1,0,0,0|2,0,0]=4 433 B11R1.156 OC(=O)c1c(C)cccc1N PI-18553 [0,1,1,0,0,0|2,0,0]=4 434 B11R1.156 OC(=O)c1c(Cl)cccc1Br PI-20612 [0,1,1,0,0,0|2,0,0]=4 435 B11R1.156 OC(=O)c1c(Cl)cccc1Cl PI-14298 [0,1,1,0,0,0|2,0,0]=4 436 B11R1.156 OC(=O)c1c(F)cccc1Br PI-10187 [0,1,1,0,0,0|2,0,0]=4 437 B11R1.156 OC(=O)c1c(F)cccc1F PI-31178 [0,1,1,0,0,0|2,0,0]=4 438 B11R1.156 OC(=O)c1c(N)cccc1F PI-16068 [0,1,1,0,0,0|2,0,0]=4 439 B11R1.156 OC(=O)c1c(N)cccc1I PI-36088 [0,1,1,0,0,0|2,0,0]=4 440 B11R1.156 OC(=O)c1c(O)cccc1O PI-32768 [0,1,1,0,0,0|1,0,0]=3 441 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [0,1,1,0,0,0|2,0,0]=4 442 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [0,1,1,0,0,0|2,0,0]=4 443 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [0,1,1,0,0,0|2,0,0]=4 444 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [0,1,1,0,0,0|2,0,0]=4 445 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [0,1,1,0,0,0|2,0,0]=4 446 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [0,1,1,0,0,0|2,0,0]=4 447 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [0,1,1,0,0,0|2,0,0]=4 448 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [0,1,1,0,0,0|1,0,0]=3 449 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [0,1,1,0,0,0|1,0,0]=3 450 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [0,1,1,0,0,0|1,0,1]=4 451 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [0,1,1,0,0,0|1,0,1]=4 452 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [0,1,1,0,0,0|1,0,1]=4 453 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [0,1,1,0,0,0|1,0,1]=4 454 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,1,1,0,0,0|1,0,1]=4 455 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,1,1,0,0,0|2,0,0]=4 456 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,1,1,0,0,0|2,0,0]=4 457 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,1,1,0,0,0|2,0,0]=4 458 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,1,1,0,0,0|2,0,0]=4 459 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,1,1,0,0,0|2,0,0]=4 460 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,1,1,0,0,0|2,0,0]=4 461 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,1,1,0,0,0|2,0,0]=4 462 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,1,1,0,0,0|2,0,0]=4 463 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [0,1,1,0,0,0|2,0,0]=4 464 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,1,1,0,0,0|2,0,0]=4 465 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [0,1,1,0,0,0|2,0,0]=4 466 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [0,1,1,0,0,0|2,0,0]=4 467 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [0,1,1,0,0,0|2,0,0]=4 468 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [0,1,1,0,0,0|2,0,0]=4 469 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [0,1,1,0,0,0|1,0,0]=3 470 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,1,1,0,0,0|2,0,0]=4 471 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,1,1,0,0,0|2,0,0]=4 472 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,1,1,0,0,0|2,0,0]=4 473 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,1,1,0,0,0|1,0,0]=3 474 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,1,1,0,0,0|1,0,0]=3 475 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,1,1,0,0,0|2,0,0]=4 476 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,1,1,0,0,0|2,0,0]=4 477 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,1,1,0,0,0|2,0,0]=4 478 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,1,1,0,0,0|2,0,0]=4 479 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,1,1,0,0,0|2,0,0]=4 480 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,1,1,0,0,0|2,0,0]=4 481 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,1,1,0,0,0|2,0,0]=4 482 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,1,1,0,0,0|1,0,1]=4 483 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,1,1,0,0,0|1,0,1]=4 484 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,1,1,0,0,0|1,0,1]=4 485 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,1,1,0,0,0|1,0,1]=4 486 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,1,1,0,0,0|2,0,0]=4 487 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,1,1,0,0,0|0,0,2]=4 488 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,1,1,0,0,0|2,0,0]=4 489 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,1,1,0,0,0|2,0,0]=4 490 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,1,1,0,0,0|1,0,0]=3 491 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,1,1,0,0,0|2,0,0]=4 492 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,1,1,0,0,0|2,0,0]=4 493 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,1,1,0,0,0|1,0,1]=4 494 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,1,1,0,0,0|2,0,0]=4 495 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,1,1,0,0,0|2,0,0]=4 496 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,1,1,0,0,0|2,0,0]=4 497 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,1,1,0,0,0|2,0,0]=4 498 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,1,1,0,0,0|2,0,0]=4 499 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,1,1,0,0,0|1,0,0]=3 500 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,1,1,0,0,0|2,0,0]=4 501 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,1,1,0,0,0|1,0,1]=4 502 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,1,1,0,0,0|2,0,0]=4 503 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,1,1,0,0,0|2,0,0]=4 504 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,1,1,0,0,0|1,0,1]=4 505 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,1,1,0,0,0|2,0,0]=4 506 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,1,1,0,0,0|0,0,2]=4 507 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,1,1,0,0,0|2,0,0]=4 508 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,1,1,0,0,0|2,0,0]=4 509 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,1,1,0,0,0|2,0,0]=4 510 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,1,1,0,0,0|2,0,0]=4 511 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [0,1,1,0,0,0|0,0,2]=4 512 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,1,1,0,0,0|2,0,0]=4 513 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,1,1,0,0,0|1,1,0]=4 514 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,1,1,0,0,0|2,0,0]=4 515 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,1,1,0,0,0|2,0,0]=4 516 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,1,1,0,0,0|2,0,0]=4 517 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,1,1,0,0,0|1,0,0]=3 518 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,1,1,0,0,0|2,0,0]=4 519 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,1,1,0,0,0|1,0,0]=3 520 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,1,1,0,0,0|2,0,0]=4 521 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,1,1,0,0,0|2,0,0]=4 522 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,1,1,0,0,0|2,0,0]=4 523 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,1,1,0,0,0|1,0,0]=3 524 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,1,1,0,0,0|1,0,1]=4 525 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,1,1,0,0,0|1,0,1]=4 526 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,1,1,0,0,0|1,0,1]=4 527 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,1,1,0,0,0|2,0,0]=4 528 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,1,1,0,0,0|2,0,0]=4 529 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,1,1,0,0,0|2,0,0]=4 530 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,1,1,0,0,0|2,0,0]=4 531 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,1,1,0,0,0|2,0,0]=4 532 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,1,1,0,0,0|2,0,0]=4 533 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,1,1,0,0,0|1,0,1]=4 535 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [0,1,1,0,0,0|0,0,2]=4 536 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,1,1,0,0,0|1,0,0]=3 537 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,1,1,0,0,0|2,0,0]=4 538 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,1,1,0,0,0|2,0,0]=4 539 B11R1.167 Clc1ccc(c(c1)B(O)O)O PI-39030 [0,1,1,0,0,0|2,0,0]=4 540 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,1,1,0,0,0|2,0,0]=4 541 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,1,1,0,0,0|2,0,0]=4 542 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,1,1,0,0,0|2,0,0]=4 543 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,1,1,0,0,0|2,0,0]=4 544 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,1,1,0,0,0|2,0,0]=4 545 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,1,1,0,0,0|2,0,0]=4 546 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,1,1,0,0,0|2,0,0]=4 547 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,1,1,0,0,0|2,0,0]=4 548 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,1,1,0,0,0|2,0,0]=4 549 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,1,1,0,0,0|2,0,0]=4 550 B11R1.167 O=C(N)C1=CC(Br)=CC=C1O PI-30813 [0,1,1,0,0,0|0,0,2]=4 551 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,1,1,0,0,0|2,0,0]=4 552 B11R1.167 O=C([O-])C1=CC(N)=CC=C1O PI-35671 [0,1,1,0,0,0|1,0,1]=4 553 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O PI-12846 [0,1,1,0,0,0|1,0,1]=4 554 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,1,1,0,0,0|1,0,1]=4 555 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,1,1,0,0,0|2,0,0]=4 556 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,1,1,0,0,0|1,0,0]=3 557 B11R2.10 BrB1Oc2c(O1)cccc2 PI-38370 [1,1,0,0,0,0|2,0,0]=4 558 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [1,1,0,0,0,0|1,0,0]=3 559 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br PI-40410 [1,1,0,0,0,0|1,1,0]=4 560 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [1,1,0,0,0,0|2,0,0]=4 561 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [1,1,0,0,0,0|2,0,0]=4 562 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [1,1,0,0,0,0|2,0,0]=4 563 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [1,1,0,0,0,0|2,0,0]=4 564 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [1,1,0,0,0,0|1,1,0]=4 565 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [1,1,0,0,0,0|2,0,0]=4 566 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [1,1,0,0,0,0|1,0,1]=4 567 B11R2.10 ClB1Oc2c(O1)cccc2 PI-38371 [1,1,0,0,0,0|2,0,0]=4 568 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [1,1,0,0,0,0|2,0,0]=4 569 B11R2.10 Ic1cc2c(s1)cccc2 PI-38228 [1,1,0,0,0,0|1,1,0]=4 570 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [1,1,0,0,0,0|2,0,0]=4 571 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [1,1,0,0,0,0|1,0,1]=4 572 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [1,1,0,0,0,0|2,0,0]=4 573 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 PI-39747 [1,1,0,0,0,0|1,1,0]=4 574 B11R2.36 BrC1=CC2=C(NN=C2)C=N1 PI-46687 [1,1,0,0,0,0|2,0,0]=4 575 B11R2.36 Brc1ccc2[nH]ccc2c1 PI-20323 [1,1,0,0,0,0|2,0,0]=4 576 B11R2.36 Brc1ccc2c(c1)[nH]cc2 PI-10006 [1,1,0,0,0,0|2,0,0]=4 577 B11R2.36 Brc1ccc2c(c1)ccs2 PI-29626 [1,1,0,0,0,0|1,1,0]=4 578 B11R2.36 Brc1cnc2c(c1)cn[nH]2 PI-39252 [1,1,0,0,0,0|2,0,0]=4 579 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [1,1,0,0,0,0|2,0,0]=4 580 B11R2.36 C1=C2C=NOC2=NC=C1Br PI-49007 [1,1,0,0,0,0|1,0,0]=3 581 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [1,1,0,0,0,0|2,0,0]=4 582 B11R2.36 C1=CC(=CC2=C1C=CN2)N PI-16826 [1,1,0,0,0,0|2,0,0]=4 583 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 PI-34641 [1,1,0,0,0,0|1,0,0]=3 584 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 PI-33950 [1,1,0,0,0,0|1,0,0]=3 585 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 PI-34938 [1,1,0,0,0,0|1,0,0]=3 586 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 PI-12027 [1,1,0,0,0,0|2,0,0]=4 587 B11R2.36 C1=CC2=C(C=C1Cl)NN=C2 PI-34962 [1,1,0,0,0,0|1,0,0]=3 588 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [1,1,0,0,0,0|1,0,0]=3 589 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [1,1,0,0,0,0|1,0,0]=3 590 B11R2.36 C1=CC2=C(C=C1N)C=NN2 PI-17683 [1,1,0,0,0,0|1,0,0]=3 591 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [1,1,0,0,0,0|1,0,0]=3 592 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [1,1,0,0,0,0|1,0,0]=3 593 B11R2.36 C1=CC2=C(C=CN2)C=C1F PI-10017 [1,1,0,0,0,0|2,0,0]=4 594 B11R2.36 C1=CC2=C(C=CO2)C=C1Br PI-19337 [1,1,0,0,0,0|1,0,0]=3 595 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl PI-14313 [1,1,0,0,0,0|1,1,0]=4 596 B11R2.36 C1=CC2=C(C=CS2)C=C1N PI-29314 [1,1,0,0,0,0|1,1,0]=4 597 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [1,1,0,0,0,0|1,0,1]=4 598 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [1,1,0,0,0,0|2,0,0]=4 599 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [1,1,0,0,0,0|2,0,0]=4 600 B11R2.36 CC1=CC2=C(C=C1)OC=N2 PI-10825 [1,1,0,0,0,0|2,0,0]=4 601 B11R2.36 CC1=CC=C2SC=CC2=C1 PI-14225 [1,1,0,0,0,0|1,1,0]=4 602 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [1,1,0,0,0,0|1,0,0]=3 603 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [1,1,0,0,0,0|2,0,0]=4 604 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [1,1,0,0,0,0|2,0,0]=4 605 B11R2.36 ClC1=CC2=C(NN=C2)C=N1 PI-46697 [1,1,0,0,0,0|2,0,0]=4 606 B11R2.36 ClC1=CC=C2[NH]N=CC2=N1 PI-42635 [1,1,0,0,0,0|2,0,0]=4 607 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [1,1,0,0,0,0|2,0,0]=4 608 B11R2.36 Clc1ncc2c(c1)[nH]nc2 PI-39108 [1,1,0,0,0,0|2,0,0]=4 609 B11R2.36 IC1=CC=C2[NH]N=CC2=C1 PI-34940 [1,1,0,0,0,0|1,0,0]=3 610 B11R2.36 Ic1ccc2[nH]ccc2c1 PI-29169 [1,1,0,0,0,0|2,0,0]=4 611 B11R2.36 Ic1ccc2c(c1)[nH]nc2 PI-34958 [1,1,0,0,0,0|1,0,0]=3 612 B11R2.36 NC1=CC=C2OC=CC2=C1 PI-40038 [1,1,0,0,0,0|1,0,0]=3 613 B11R2.36 Nc1ccc2c(c1)[nH]nc2 PI-34961 [1,1,0,0,0,0|1,0,0]=3 614 B11R2.36 Nc1ccc2c(c1)cc[nH]2 PI-16447 [1,1,0,0,0,0|2,0,0]=4 615 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [1,1,0,0,0,0|2,0,0]=4 616 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [1,1,0,0,0,0|2,0,0]=4 617 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [1,1,0,0,0,0|2,0,0]=4 618 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [1,1,0,0,0,0|2,0,0]=4 619 B11R2.106 BrC1=CC=CC2=C1CC=C2 PI-40279 [1,1,0,0,0,0|2,0,0]=4 620 B11R2.106 Brc1cccc2[nH]ccc12 PI-10309 [1,1,0,0,0,0|2,0,0]=4 621 B11R2.106 Brc1cccc2[nH]ncc12 PI-34921 [1,1,0,0,0,0|1,0,0]=3 622 B11R2.106 Brc1cccc2c1ccs2 PI-42863 [1,1,0,0,0,0|1,1,0]=4 623 B11R2.106 C1=CC(=C2C=CNC2=C1)N PI-16825 [1,1,0,0,0,0|2,0,0]=4 624 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 PI-10577 [1,1,0,0,0,0|2,0,0]=4 625 B11R2.106 C1=CC2=C(C(=C1)Br)NN=C2 PI-34894 [1,1,0,0,0,0|1,0,0]=3 626 B11R2.106 C1=CC2=C(C(=C1)Br)SC=C2 PI-45183 [1,1,0,0,0,0|1,1,0]=4 627 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 PI-16827 [1,1,0,0,0,0|2,0,0]=4 628 B11R2.106 C1=CC2=C(C(=C1)Cl)NN=C2 PI-34897 [1,1,0,0,0,0|1,0,0]=3 629 B11R2.106 C1=CC2=C(C(=C1)N)C=N[NH]2 PI-34925 [1,1,0,0,0,0|1,0,0]=3 630 B11R2.106 C1=CC2=C(C(=C1)O)NC=C2 PI-11104 [1,1,0,0,0,0|2,0,0]=4 631 B11R2.106 C1=CC2=C(C(=C1)O)NN=C2 PI-34910 [1,1,0,0,0,0|1,0,0]=3 632 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl PI-16268 [1,1,0,0,0,0|2,0,0]=4 633 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F PI-16506 [1,1,0,0,0,0|2,0,0]=4 634 B11R2.106 C1=CC2=C(C=CS2)C(=C1)Cl PI-42667 [1,1,0,0,0,0|1,1,0]=4 635 B11R2.106 C1=CC2=C(C=NN2)C(=C1)Cl PI-34922 [1,1,0,0,0,0|1,0,0]=3 636 B11R2.106 C1=CC2=C(C=NN2)C(=C1)F PI-34923 [1,1,0,0,0,0|1,0,0]=3 637 B11R2.106 C1=CC2=C(C=NN2)C(=C1)I PI-34924 [1,1,0,0,0,0|1,0,0]=3 638 B11R2.106 C1=CC2=C(C=NN2)C(=C1)O PI-40522 [1,1,0,0,0,0|1,0,0]=3 639 B11R2.106 C1=CN=C2C(=C1Br)C=NN2 PI-34862 [1,1,0,0,0,0|2,0,0]=4 640 B11R2.106 CC1=C2C=CNC2=CC=C1 PI-16828 [1,1,0,0,0,0|2,0,0]=4 641 B11R2.106 Cc1cccc2c1[nH]cc2 PI-16266 [1,1,0,0,0,0|2,0,0]=4 642 B11R2.106 ClC1=NC=CC2=C1C=CO2 PI-37202 [1,1,0,0,0,0|2,0,0]=4 643 B11R2.106 Clc1ccnc2c1cn[nH]2 PI-38681 [1,1,0,0,0,0|2,0,0]=4 644 B11R2.106 Clc1nccc2c1cn[nH]2 PI-39109 [1,1,0,0,0,0|2,0,0]=4 645 B11R2.106 Fc1cccc2c1[nH]cc2 PI-16457 [1,1,0,0,0,0|2,0,0]=4 646 B11R2.106 OC1=C2N=NNC2=CC=C1 PI-20735 [1,1,0,0,0,0|2,0,0]=4 647 B11R2.106 Oc1cccc2[nH]ccc12 PI-16269 [1,1,0,0,0,0|2,0,0]=4 648 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,1,0,0,1,0|1,0,1]=4 649 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)O)Cl PI-44804 [0,1,0,0,0,1|2,0,0]=4 650 B13R2.32 C1=CC=C2C(=C1)C(=O)N(N=N2)O PI-13233 [0,1,0,0,0,1|2,0,0]=4 651 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-18432 [0,1,0,0,0,1|2,0,0]=4 652 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-25084 [0,1,0,0,0,1|2,0,0]=4 653 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O PI-25690 [0,1,0,0,0,1|2,0,0]=4 654 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44810 [0,1,0,0,0,1|2,0,0]=4 655 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44835 [0,1,0,0,0,1|2,0,0]=4 656 B13R2.32 Oc1ccc2c(c1Br)cccc2 PI-25688 [0,1,0,0,0,1|2,0,0]=4 657 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)CO PI-29257 [0,1,0,0,0,1|2,0,0]=4 658 B13R2.57 C1C(OC2=CC=CC=C2O1)CO PI-29518 [0,1,0,0,0,1|1,0,1]=4 659 B13R2.57 N#Cc1ncc2c(c1)cccc2 PI-17473 [0,1,0,0,0,1|2,0,0]=4 660 B13R2.57 OCc1ccc2ccccc2c1 PI-11869 [0,1,0,0,0,1|2,0,0]=4 661 B13R2.155 Brc1cc2NC(=O)COc2cc1 PI-38345 [0,1,0,0,0,1|1,0,1]=4 662 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O PI-39114 [0,1,0,0,0,1|2,0,0]=4 663 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O PI-32100 [0,1,0,0,0,1|2,0,0]=4 664 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O PI-45733 [0,1,0,0,0,1|2,0,0]=4 665 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl PI-23153 [0,1,0,0,0,1|1,0,1]=4 666 B13R2.155 Oc1ccc2ccc(O)nc2c1 PI-13540 [0,1,0,0,0,1|2,0,0]=4 667 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [0,1,0,0,0,1|2,0,0]=4 668 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [0,1,0,0,0,1|2,0,0]=4 669 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [0,1,0,0,0,1|2,0,0]=4 670 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [0,1,0,0,0,1|2,0,0]=4 671 B13R2.328 Clc1cc2ccccc2c(n1)Cl PI-31690 [0,1,0,0,0,1|2,0,0]=4 672 B13R2.328 Nc1cc2ccccc2c(Br)n1 PI-29111 [0,1,0,0,0,1|2,0,0]=4 673 B13R2.328 OC1=CC2=NC=CC=C2C(O)=N1 PI-40520 [0,1,0,0,0,1|2,0,0]=4 674 B13R2.328 Oc1cc(C)c2c(n1)cccc2 PI-10848 [0,1,0,0,0,1|2,0,0]=4 675 B13R2.328 Oc1cc(O)c2c(n1)cccc2 PI-16408 [0,1,0,0,0,1|2,0,0]=4 676 B13R2.328 Oc1cc2ccccc2c(c1)O PI-25115 [0,1,0,0,0,1|2,0,0]=4 677 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [0,1,0,0,0,1|2,0,0]=4 678 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [0,1,0,0,0,1|2,0,0]=4 679 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [0,1,0,0,0,1|2,0,0]=4 680 B13R2.3683 Brc1ccc2c(c1)cnc(n2)Cl PI-34844 [0,1,0,0,0,1|2,0,0]=4 681 B13R2.3683 Brc1ccc2c(c1)cnc(n2)N PI-34644 [0,1,0,0,0,1|2,0,0]=4 682 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [0,1,0,0,0,1|2,0,0]=4 683 B13R2.3683 O=C1COc2c(N1)ccc(c2)F PI-39020 [0,1,0,0,0,1|1,0,1]=4 684 B13R2.3683 Oc1ccc2c(c1)ccc(n2)O PI-38999 [0,1,0,0,0,1|2,0,0]=4 685 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [0,1,0,0,0,1|2,0,0]=4 686 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [0,1,0,0,0,1|2,0,0]=4 687 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [0,1,0,0,0,1|2,0,0]=4 688 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [0,1,0,0,0,1|2,0,0]=4 689 B13R2.342 Brc1cccc2c(=O)nc[nH]c12 PI-36127 [0,1,0,0,0,1|1,0,1]=4 690 B13R2.342 C1=CC2=C(C(=C1)Br)N=CN=C2Cl PI-34861 [0,1,0,0,0,1|2,0,0]=4 691 B13R2.342 C1COC2=C(C1=O)C=CC=C2Br PI-32686 [0,1,0,0,0,1|1,0,1]=4 692 B13R2.342 C1COC2=C(C1=O)C=CC=C2Cl PI-32685 [0,1,0,0,0,1|1,0,1]=4 693 B13R2.342 C1COC2=C(C1=O)C=CC=C2F PI-32684 [0,1,0,0,0,1|1,0,1]=4 694 B13R2.342 C1COC2=C(C1=O)C=CC=C2I PI-32687 [0,1,0,0,0,1|1,0,1]=4 695 B13R2.342 Clc1ncnc2c(Cl)cccc12 PI-36210 [0,1,0,0,0,1|2,0,0]=4 696 B13R2.342 Ic1cccc2c(Cl)ncnc12 PI-36165 [0,1,0,0,0,1|2,0,0]=4 697 B13R2.342 Ic1cccc2c(O)ncnc12 PI-36149 [0,1,0,0,0,1|1,0,0]=3 698 B13R2.342 Nc1cccc2c1cccc2O PI-33025 [0,1,0,0,0,1|2,0,0]=4 699 B13R2.342 Oc1cccc2c(O)cccc12 PI-32152 [0,1,0,0,0,1|2,0,0]=4 700 B13R2.342 Oc1cccc2c1ccnc2O PI-40239 [0,1,0,0,0,1|1,0,0]=3 701 B13R2.342 Oc1ccnc2c1cccc2F PI-23596 [0,1,0,0,0,1|2,0,0]=4 702 B13R2.371 BrC1=C2C=CC=CC2=C(Br)N=C1 PI-46816 [0,1,0,0,0,1|2,0,0]=4 703 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2O)O PI-25685 [0,1,0,0,0,1|2,0,0]=4 704 B13R2.371 C1=CC=C2C(=C1)C(=CN=C2Cl)Cl PI-44410 [0,1,0,0,0,1|2,0,0]=4 705 B13R2.371 Clc1ccc(c2c1cccc2)O PI-25723 [0,1,0,0,0,1|2,0,0]=4 706 B13R2.371 Clc1ncc(c2c1cccc2)Br PI-29841 [0,1,0,0,0,1|2,0,0]=4 707 B13R2.371 Clc1nnc(c2c1cccc2)Cl PI-35727 [0,1,0,0,0,1|2,0,0]=4 708 B13R2.371 Oc1ccc(c2c1cccc2)N PI-25713 [0,1,0,0,0,1|2,0,0]=4 709 B13R2.1613 BrCc1nccc2c1cccc2 PI-17065 [0,1,0,0,0,1|2,0,0]=4 710 B13R2.1613 C1=CC=C2C(=C1)C=CN=C2CO PI-17163 [0,1,0,0,0,1|1,0,0]=3 711 B13R2.1613 C1CC2=CC=CC=C2C(=NO)C1 PI-17087 [0,1,0,0,0,1|2,0,0]=4 712 B13R2.1613 COc1cccc2c1cccc2 PI-25358 [0,1,0,0,0,1|2,0,0]=4 713 B13R2.1613 N#CC1=C2C=CC=CC2=CN=C1 PI-46807 [0,1,0,0,0,1|2,0,0]=4 714 B13R2.1613 N#CC1=NC=CC2=C1C=CC=C2 PI-20304 [0,1,0,0,0,1|2,0,0]=4 715 B13R2.4818 Brc1cccc2ncnc(Cl)c12 PI-36124 [0,1,0,0,0,1|2,0,0]=4 716 B13R2.4818 Brc1cccc2ncnc(O)c12 PI-36123 [0,1,0,0,0,1|1,0,0]=3 717 B13R2.4818 C1=CC2=C(C(=C1)F)C(=NC=N2)N PI-14093 [0,1,0,0,0,1|2,0,0]=4 718 B13R2.4818 O=C1CCOC2=C1C(F)=CC=C2 PI-32690 [0,1,0,0,0,1|1,0,1]=4 719 B13R2.4818 Oc1cccc2c1c(O)ccc2 PI-32151 [0,1,0,0,0,1|2,0,0]=4 720 B13R2.1 C1=CC=C2C(=C1)C(=CO2)CC#N PI-19673 [0,2,0,0,0,0|2,0,0]=4 721 B13R2.1 COCN1C2=CC=CC=C2N=N1 PI-17066 [0,2,0,0,0,0|2,0,0]=4 722 B13R2.1 OCCc1c[nH]c2c1cccc2 PI-18625 [0,2,0,0,0,0|2,0,0]=4 723 B13R2.72 B(C1=CNC2=CC=CC=C12)(O)O PI-31599 [0,2,0,0,0,0|2,0,0]=4 724 B13R2.72 B(C1=COC2=CC=CC=C12)(O)O PI-43956 [0,2,0,0,0,0|1,0,0]=3 725 B13R2.72 C1=CC=C2C(=C1)C(=CS2)C(=O)O PI-14248 [0,2,0,0,0,0|1,1,0]=4 726 B13R2.72 CC(C1=NNC2=C1C=CC=C2)=O PI-46811 [0,2,0,0,0,0|1,0,1]=4 727 B13R2.72 OB(c1csc2c1cccc2)O PI-25056 [0,2,0,0,0,0|1,1,0]=4 728 B13R2.72 OC(=O)c1c[nH]c2c1cccc2 PI-22764 [0,2,0,0,0,0|2,0,0]=4 729 B13R2.72 OC(=O)c1n[nH]c2c1cccc2 PI-10443 [0,2,0,0,0,0|1,0,0]=3 730 B13R2.2136 C1=CC2=C(C=C1Br)C(=NN2)C#N PI-50084 [0,2,0,0,0,0|2,0,0]=4 731 B13R2.2931 CN1C2=CC=CC=C2C(=N1)C=O PI-45197 [0,2,0,0,0,0|1,0,1]=4 732 B13R2.669 C1=CC2=C(C=C1C=O)C(=NO2)N PI-43124 [0,2,0,0,0,0|1,0,0]=3 733 B13R2.3742 C1=C(C=C(C2=C1C(=NN2)N)I)Br PI-45200 [0,2,0,0,0,0|2,0,0]=4 734 B13R2.11634 CC1=CC2=C(C=C1Cl)C(Cl)=NN2 PI-46696 [0,2,0,0,0,0|2,0,0]=4 735 B13R2.573 COC1=CC=CC2=C1OCC2=O PI-27872 [0,2,0,0,0,0|1,0,1]=4 736 B13R2.4857 CN1C2=C(C(=CC=C2)F)C(=N1)N PI-34971 [0,2,0,0,0,0|2,0,0]=4 737 B13R2.5180 C1C(=O)C2=C(O1)C(=C(C=C2)O)O PI-26814 [0,2,0,0,0,0|1,0,1]=4 738 B11R2.20 C1COc2ccccc2O1 PI-31359 [0,0,1,1,0,0|1,0,1]=4 739 B9R1.11 C1=COC(=C1)C(=NO)N PI-19376 [0,0,1,0,1,0|2,0,0]=4 740 B9R1.11 C1=CSC(=C1)C(=NO)N PI-29669 [0,0,1,0,1,0|2,0,0]=4 741 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,0,1,0,1,0|2,0,0]=4 742 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [1,0,0,0,1,0|1,0,1]=4 743 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,0,1,0,0,1|2,0,0]=4 744 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,0,1,0,0,1|1,0,0]=3 745 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,0,1,0,0,1|1,0,1]=4 746 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,0,1,0,0,1|2,0,0]=4 747 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,0,1,0,0,1|2,0,0]=4 748 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,0,1,0,0,1|2,0,0]=4 749 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,0,1,0,0,1|2,0,0]=4