0 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 5862 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 NC1=CC(=O)C2=CC=CC=C2N1 13209 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 8693 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 13599 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 7556 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 26197 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 9671 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.1081 O=C1CCCC2=CC=CC=C12 13786 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1081 O=C1CCNC2=CC=CC=C12 21010 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 O=C1CCOC2=CC=CC=C12 9708 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.1081 O=C1CCOC2=CC=CN=C12 19245 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 14541 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1NN=CC2=CC=CC=C12 14642 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1NN=CC2=CC=CC=C12 33495 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 O=C1OCCC2=CC=CC=C12 25692 [1,0,0,0,0,0|2,0,0]=3 16 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 12885 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.8235 CC1=CC=C2NC(=O)OC(=O)C2=C1 19767 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.8235 CC1=NC2=C(C=C(Br)C=C2)C(=O)O1 16162 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 12764 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 2115 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.8235 O=C1NC2=CC=C(F)C=C2C(=O)O1 1956 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 13597 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.28480 O=C1NC2=CC=CC(F)=C2C(=O)O1 13595 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.29365 O=C1NC2=CC(Br)=CC=C2C(=O)O1 12757 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 12751 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.75 O=CC1=C(OC(F)F)C=CC=C1 2906 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.283 C=CCC1=C(C(=O)O)C=CC=C1 16218 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 20122 [0,0,1,0,0,0|2,0,0]=3 29 B12R1.283 CCOC1=C(C(=O)O)C=CC=N1 16563 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 13191 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 21426 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 3937 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 15493 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 3703 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 3469 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 3881 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 24103 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.308 CCOC(=O)C1=CC=CC=C1N 13628 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.308 CCOC(=O)C1=CC=CC=C1S 6857 [0,0,1,0,0,0|2,1,0]=4 40 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,0,0,0,1,0|3,0,0]=4 41 B12R2.18 CN1NC2=CC=CC=C2C1=O 27652 [0,0,0,0,1,0|3,0,0]=4 42 B12R2.18 CN1SC2=C(C=CC=C2)C1=O 29423 [0,0,0,0,1,0|2,1,0]=4 43 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,0,0,0,1,0|3,0,0]=4 44 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,0,0,0,1,0|2,0,1]=4 45 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [0,0,0,0,1,0|3,0,0]=4 46 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 15713 [0,0,0,0,1,0|2,0,1]=4 47 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 35955 [0,0,0,0,1,0|2,0,1]=4 48 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 17186 [0,0,0,0,1,0|2,0,1]=4 49 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 17494 [0,0,0,0,1,0|1,0,1]=3 50 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 10172 [0,0,0,0,1,0|2,0,1]=4 51 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 12493 [0,0,0,0,1,0|2,0,0]=3 52 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 12453 [0,0,0,0,1,0|2,0,0]=3 53 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 13972 [0,0,0,0,1,0|1,0,0]=2 54 B11R1.41 CCOC1=C(C=O)C=CC=C1 9726 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 19668 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 9869 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.53 COC1=C(C(=O)O)C=CC=C1 18488 [1,0,1,0,0,0|1,0,0]=3 60 B11R1.53 COC1=C(C(=O)O)C=CC=N1 20354 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.53 COC1=C(C(=O)O)C=CN=C1 10457 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.53 COC1=C(C(C)=O)C=CC=C1 4278 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.53 COC1=CC=CC=C1C(=O)Cl 26362 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.53 COC1=CC=NC=C1C(=O)O 33397 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 10324 [1,0,1,0,0,0|1,1,0]=4 66 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 12513 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 6411 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.53 O=C(O)c1ccccc1CBr 23937 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 7365 [1,0,1,0,0,0|1,0,1]=4 70 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 3956 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 3707 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.222 COC(=O)C1=C(F)C=CC=C1 3565 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.222 COC(=O)C1=C(I)C=CC=C1 10568 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.222 COC(=O)C1=CC=CC=C1C 15492 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.222 COC(=O)C1=CC=CC=C1N 13629 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.222 COC(=O)C1=CC=CC=C1S 10565 [1,0,1,0,0,0|1,1,0]=4 78 B11R1.222 COC(=O)C1=NC=CC=C1O 25563 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.222 NNC(=O)C1=CC=CC=C1O 22912 [1,0,1,0,0,0|2,0,0]=4 80 B13R1.572 O=C(O)C1=NC=CC=C1OCCO 25024 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.4453 CCOC(=O)C1=C(C)C=CC=C1O 23701 [0,1,1,0,0,0|2,0,0]=4 82 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 17914 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 17913 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 9712 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.342 O=C1CCOC2=C(I)C=CC=C12 17915 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.4818 O=C1CCOC2=CC=CC(Br)=C12 17920 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.4818 O=C1CCOC2=CC=CC(Cl)=C12 17919 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.4818 O=C1CCOC2=CC=CC(F)=C12 17918 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.4818 O=C1CCOC2=CC=CC(I)=C12 17921 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 17315 [0,1,0,0,1,0|2,0,0]=4 91 B13R2.4857 CC1=C2C(=O)OC(=O)C2=CC=C1 28914 [0,1,0,0,1,0|1,0,1]=4 92 B13R2.4857 O=C1OC(=O)C2=C(Br)C=CC=C12 18163 [0,1,0,0,1,0|1,0,1]=4 93 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 19464 [0,1,0,0,1,0|1,0,1]=4 94 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 1949 [0,1,0,0,1,0|1,0,1]=4 95 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 30270 [0,1,0,0,1,0|1,0,1]=4 96 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 2027 [0,1,0,0,1,0|1,0,1]=4 97 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 12512 [0,1,0,0,1,0|1,0,1]=4 98 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 1950 [0,1,0,0,1,0|1,0,1]=4 99 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 9709 [0,2,0,0,0,0|2,0,0]=4 100 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 28028 [0,0,1,1,0,0|2,0,0]=4 101 B13R2.5569 O=C(O)C1=C2N=COC2=CC=C1 27689 [0,0,1,1,0,0|2,0,0]=4 102 B13R2.5569 O=C(O)C1=CC=CC2=C1OCC2 16734 [0,0,1,1,0,0|2,0,0]=4 103 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [1,0,0,0,1,0|2,0,0]=4