0 B21R3.756161 COC1=CC2=C(C=C(N=C2C=C1)C3=CC=CC=C3)O OTV000930 [0,0,0,0,0,0|1,0,1]=2 1 B21R3.756161 COC1=CC=C2N=C(C=C(C2=C1)Br)C3=CC=CC=C3 BBO000614 [0,0,0,0,0,0|2,0,0]=2 2 B20R3.263189 CC1=CC2=C(C=C1)N=C(NC2=O)C3=CC=CC=C3 PH008030 [1,0,0,0,0,0|2,0,0]=3 3 B20R3.263189 CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=CC=C3 S559423 [1,0,0,0,0,0|2,0,0]=3 4 B20R3.263189 CC1=CC=C2N=C(C=C(C2=C1)O)C3=CC=CC=C3 BBO000290 [1,0,0,0,0,0|1,0,1]=3 5 B20R3.263189 ClC1=CC(=NC2=CC=C(C=C12)Br)C3=CC=CC=C3 BBO000088 [1,0,0,0,0,0|3,0,0]=4 6 B20R3.263189 O=C1C=C(OC2=C1C=C(C=C2)Cl)C3=CC=CC=C3 T341223 [1,0,0,0,0,0|1,0,0]=2 7 B20R3.263189 OC1=CC(=NC2=CC=C(C=C12)F)C3=CC=CC=C3 BBO000293 [1,0,0,0,0,0|2,0,1]=4 8 B19R2.883 COC1=CC(=CC=C1)/C=C/C(=O)C2=CC=CN=C2 R548626 [1,0,1,0,0,0|1,0,1]=4 9 B19R2.883 COC1=CC=CC(=C1)C=CC(=O)C2=CC=NC=C2 S218162 [1,0,1,0,0,0|1,0,1]=4 10 B19R2.883 COC1=CC=CC(=C1)C=CC(=O)C2=NC=CC=C2 S231908 [1,0,1,0,0,0|1,0,1]=4 11 B19R2.4553 CC1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC=CC=C2 L498173 [1,0,1,0,0,0|0,0,0]=2 12 B19R2.4553 O=C(/C=C/C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)O IDF00067 [1,0,1,0,0,0|1,0,0]=3 13 B19R2.4553 O=C(/C=C/C1=CC=CC=C1)C2=C(C=CC(=C2)O)O IDF00046 [1,0,1,0,0,0|0,0,0]=2 14 B19R2.4553 O=C(/C=C/C1=NC=CC=C1)C2=CC(=CC=C2O)Br R656844 [1,0,1,0,0,0|2,0,0]=4 15 B19R3.55010 CC1=CC2=C(C=C1)N=C(C=N2)C3=CC=CC=C3 BOG00212 [2,0,0,0,0,0|2,0,0]=4 16 B19R3.9171 ClC1=CC(=NC2=C1C=CC=C2)C3=CC=CC=C3 S450251 [2,0,0,0,0,0|2,0,0]=4 17 B19R3.9171 NC1=CC(=NC2=CC=CC=C12)C3=CC=CC=C3 R537098 [2,0,0,0,0,0|2,0,0]=4 18 B19R3.9171 O=C1C=C(OC2=CC=CC=C12)C3=CC=NC=C3 PH002881 [2,0,0,0,0,0|1,0,0]=3 19 B19R3.9171 O=C1N=C(OC2=C1C=CC=C2)C3=CC=CC=C3 S921335 [2,0,0,0,0,0|1,0,0]=3 20 B19R3.9171 O=C1NC(=NC2=CC=CC=C12)C3=CC=CC=C3 CDS020604 [2,0,0,0,0,0|2,0,0]=4 21 B19R3.9171 O=C1OC(=CC2=C1C=CC=C2)C3=CC=CC=C3 S920428 [2,0,0,0,0,0|2,0,0]=4 22 B19R3.9171 OC1=CC(=NC2=C1C=CC=C2)C3=CC=CC=C3 BBO000709 [2,0,0,0,0,0|1,0,1]=4 23 B21R2.64131 COC1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl)O R656968 [0,1,1,0,0,0|0,0,0]=2 24 B21R3.756581 COC1=CC=C2C=C(C(=NC2=C1)Cl)C3=CC=CC=C3 BBO000581 [1,1,0,0,0,0|2,0,0]=4 25 B21R3.788229 COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 PH002918 [1,1,0,0,0,0|2,0,0]=4 26 B21R3.6562530 CC1=CC2=C(C=C(N=C2C(=C1)C)C3=CC=CC=C3)Cl BBO000302 [1,1,0,0,0,0|2,0,0]=4 27 B21R3.6885549 O=C1C=C(OC2=CC=C(C=C12)Br)C3=C(C=CC=C3)Cl IDF00182 [1,1,0,0,0,0|1,0,0]=3 28 B21R3.6885549 O=C1C=C(OC2=CC=C(C=C12)Cl)C3=C(C=CC=C3)Br IDF00180 [1,1,0,0,0,0|1,0,0]=3 29 B21R3.9404759 CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)Cl S559393 [1,1,0,0,0,0|2,0,0]=4 30 B21R3.9404759 O=C1C=C(OC2=C1C=C(C=C2)F)C3=CC=C(C=C3)Cl JRD1337 [1,1,0,0,0,0|1,0,0]=3 31 B21R3.9404759 O=C1C=C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)O CDS021478 [1,1,0,0,0,0|0,0,0]=2 32 B21R3.9404759 O=C1C=C(OC2=CC=C(C=C12)Cl)C3=CC=C(C=C3)Br IDF00181 [1,1,0,0,0,0|1,0,0]=3 33 B21R3.40941588 CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=CC=C3)Cl S619752 [1,1,0,0,0,0|2,0,0]=4 34 B21R3.40941588 CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C)C(=O)O2 S559369 [1,1,0,0,0,0|2,0,0]=4 35 B23R3.1580966 COC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3 S501530 [0,2,0,0,0,0|1,0,0]=3 36 B23R3.7367753 COC1=CC2=C(C=C1OC)C(=O)C=C(O2)C3=CC=CC=C3 CDS007277 [0,2,0,0,0,0|0,0,0]=2 37 B23R3.228260881 COC1=CC=CC(=C1)C2=CC(=O)C3=CC(=CC=C3O2)OC CDS007225 [0,2,0,0,0,0|0,0,0]=2 38 B21R3.9915 COC1=CC=C(C=C1)/C=C/2\OC(=O)C3=CC=CC=C23 R367702 [0,0,1,1,0,0|2,0,0]=4 39 B19R3.26573 N1C(=CC2=C1C=CC(=C2)OC)C3=CC=CC=C3 S547107 [1,0,0,0,1,0|1,0,0]=3 40 B21R2.3546 COC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2 S358215 [0,0,1,0,0,1|1,0,1]=4 41 B21R3.787770 COC1=CC2=NC(=CC(=C2C=C1)O)C3=CC=CC=C3 BBO000292 [0,0,0,0,1,1|1,0,1]=4 42 B18R2.57 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2 S590754 [2,0,1,0,0,0|1,0,0]=4 43 B18R2.57 COC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 S888117 [2,0,1,0,0,0|0,0,0]=3 44 B18R2.57 COC1=CC=C(C=C1)SC(=O)C2=CC=CC=C2 S201499 [2,0,1,0,0,0|0,1,0]=4 45 B18R2.6463 C(=C/C1=CC=CC=C1)\C(=O)C2=CC=CC(=C2)Br T288985 [2,0,1,0,0,0|1,0,0]=4 46 B18R2.6463 O=C(/C=C/C1=CC=CC=C1)C2=CC=CC(=C2)Cl S682780 [2,0,1,0,0,0|1,0,0]=4 47 B18R2.6467 C(=C/C1=CC=CC(=C1)C)\C(=O)C2=CC=CC=C2 S517259 [2,0,1,0,0,0|0,0,1]=4 48 B18R2.6467 O=C(C=CC1=CC(=CC=C1)O)C2=CC=CC=C2 S288047 [2,0,1,0,0,0|0,0,1]=4 49 B18R2.3634 O=C(C=C(O)C1=CC=CC=C1)C2=CC=CC=C2 S81443 [2,0,1,0,0,0|0,0,0]=3 50 B18R2.4001 CC1=CC=CC=C1C(=O)/C=C/C2=CC=CC=C2 S683078 [2,0,1,0,0,0|1,0,0]=4 51 B18R2.4001 O=C(/C=C/C1=CC=CC=C1)C2=CC=CC=C2O S449725 [2,0,1,0,0,0|0,0,0]=3 52 B20R2.6237 COC1=CC=C(C=C1)/C=C(/C(=O)O)\C2=CC=CC=C2 OTV000223 [1,1,1,0,0,0|1,0,0]=4 53 B20R2.6237 COC1=CC=C(C=C1)OC(C(=O)O)C2=CC=CC=C2 PH018722 [1,1,1,0,0,0|0,0,1]=4 54 B20R2.3508 COC1=CC=CC(=C1O)/C=C/C(=O)C2=CC=CC=C2 IDF00054 [1,1,1,0,0,0|0,0,1]=4 55 B20R2.301789 COC1=CC=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl S613827 [1,1,1,0,0,0|0,0,1]=4 56 B20R2.302433 COC1=CC=CC(=C1)/C=C/C(=O)C2=CC=CC=C2O S573809 [1,1,1,0,0,0|0,0,1]=4 57 B20R2.15574 CC1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl)O R682756 [1,1,1,0,0,0|0,0,0]=3 58 B20R2.15574 CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)F)O IDF00062 [1,1,1,0,0,0|1,0,0]=4 59 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)Cl)O IDF00117 [1,1,1,0,0,0|1,0,0]=4 60 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=CC(=CC=C2O)F R656992 [1,1,1,0,0,0|1,0,0]=4 61 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)F)C2=CC(=CC=C2O)Br R656976 [1,1,1,0,0,0|1,0,0]=4 62 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)F)C2=CC(=CC=C2O)Cl R656984 [1,1,1,0,0,0|1,0,0]=4 63 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)O)C2=C(C=CC(=C2)O)O IDF00060 [1,1,1,0,0,0|0,0,0]=3 64 B20R2.23157 O=C(/C=C/C1=CC=CC=C1)C2=C(C(=CC(=C2)Br)Cl)O IDF00184 [1,1,1,0,0,0|1,0,0]=4 65 B20R2.23157 O=C(/C=C/C1=CC=CC=C1)C2=C(C(=CC(=C2)Cl)Br)O IDF00183 [1,1,1,0,0,0|1,0,0]=4 66 B20R2.155623 CC1=CC(=C(C=C1Cl)C(=O)/C=C/C2=CC=CC=C2)O IDF00088 [1,1,1,0,0,0|1,0,0]=4 67 B20R2.156126 O=C(/C=C/C1=C(C=CC=C1)O)C2=C(C=CC(=C2)O)O IDF00059 [1,1,1,0,0,0|0,0,0]=3 68 B20R2.19469 COC1=C(C=C(C(=C1)C(=O)CC2=CC=CC=C2)O)O IDF00064 [0,1,1,0,1,0|0,0,1]=4 69 B20R3.5740 O=C1C=C(OC2=C1C=CC=C2)C3=CC=CC=C3F PH009302 [2,1,0,0,0,0|0,0,0]=3 70 B22R2.87006 COC1=CC(=C(C=C1)OC)NC(=O)/C=C/C2=CC=CC=C2 S854891 [0,1,1,0,0,1|0,0,0]=3 71 B22R2.87397 COC1=CC(=C(C=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)Cl IDF00133 [0,2,1,0,0,0|0,0,0]=3 72 B22R2.672558 COC1=CC(=C(C=C1)O)C(=O)/C=C/C2=C(C=CC=C2)OC IDF00100 [0,2,1,0,0,0|0,0,0]=3 73 B22R3.635700 CC1=CC2=C(C=C(N=C2C=C1)C3=CC=CC=C3)C(=O)O CDS021514 [1,2,0,0,0,0|1,0,0]=4 74 B22R3.37620 CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3 R105813 [0,1,0,0,1,1|0,0,0]=3 75 B22R3.17534074 COC1=CC2=C(C=C1Cl)C(=CC(=O)O2)C3=CC=CC=C3 R102814 [0,1,0,0,1,1|0,0,0]=3 76 B22R3.18107773 COC1=CC=C2C(=O)C=C(OC2=C1)C3=CC=C(C=C3)O CDS007223 [0,1,0,0,1,1|0,0,0]=3 77 B22R3.18107832 COC1=CC=C2C(=O)C=C(OC2=C1O)C3=CC=CC=C3 CDS007465 [0,1,0,0,1,1|0,0,0]=3 78 B24R3.2108735 COC1=CC=CC(=C1)C2=C(C(=O)C3=CC(=CC=C3O2)OC)O CDS006767 [0,3,0,0,0,0|0,0,0]=3 79 B24R3.43300876 COC1=CC2=C(C=C(N=C2C=C1)C3=CC=CC=C3)C(=O)CBr PH003090 [0,3,0,0,0,0|1,0,0]=4 80 B24R3.43300876 COC1=CC2=C(C=C1)N=C(C=C2C(=O)CBr)C3=CC=CC=C3 S838675 [0,3,0,0,0,0|1,0,0]=4 81 B20R3.93401 O=C\1C2=C(C=CC(=C2)Cl)O/C1=C/C3=CC=CC=C3 T151696 [1,0,1,1,0,0|1,0,0]=4 82 B18R2.6461 CC1=CC(=CC=C1)C(=O)C(=O)C2=CC=CC=C2 PH007406 [1,0,1,0,1,0|0,0,1]=4 83 B18R3.32722 N1C(=CC2=C1C=CC(=C2)C)C3=CC=CC=C3 S432563 [2,0,0,0,1,0|1,0,0]=4 84 B18R3.32722 NC1=CC2=C(C=C1)OC(=C2)C3=CC=CC=C3 CDS022132 [2,0,0,0,1,0|1,0,0]=4 85 B18R3.11551 O=C1C=C(C2=C1C=CC=C2)C3=CC=CC=C3 R261785 [2,0,0,0,1,0|0,0,0]=3 86 B20R2.156303 CC1=CC(=C(C=C1)C)NC(=O)/C=C/C2=CC=CC=C2 L448273 [1,0,1,0,0,1|1,0,0]=4 87 B20R2.3743 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O IDF00057 [0,0,1,0,1,1|0,0,0]=3 88 B20R3.242164 O=C1C=C(COC2=C1C=CC=C2)C3=CC=CC=C3 L255394 [2,0,0,0,0,1|0,0,0]=3