0 B15R2.984 CC(=O)C1=CC2=CC=CC=C2N=C1Cl AT15998 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.984 CC(=O)C1=CC2=CN=CC=C2N=C1C CS1080 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.984 O=C(O)C1=CC2=CC=CN=C2C=C1F 95704 [0,0,0,0,0,0|3,0,0]=3 3 B15R2.984 O=C(O)C1=NC2=CC=CN=C2NC1=O D85379 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.984 O=C(O)C1=NC2=NC=CC=C2C=C1Br C16630 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.984 O=C(O)[C@@H]1CC2=C(C=CC=C2)NC1=O 97749 [0,0,0,0,0,0|1,0,2]=3 6 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1Br FD10149 [0,0,0,0,0,0|3,0,1]=4 7 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1F FD10166 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.781 CC(=O)C1=CC2=NC=CC=C2C=C1 92480 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2N=C1 92510 [1,0,0,0,0,0|2,0,1]=4 10 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 C15561 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C=O 71782 [1,0,0,0,0,0|3,0,0]=4 12 B14R2.1128 N#CC1=CC2=C(C=CC=C2)NC1=O AT16002 [1,0,0,0,0,0|2,0,1]=4 13 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O 71230 [1,0,0,0,0,0|1,0,0]=2 15 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br AT13206 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.1128 O=CC1=NC2=CC=CC=C2N=C1Br AC1753 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.1612 COC1=NC2=CC=CC=C2C=C1C(=O)O AT15962 [0,1,0,0,0,0|1,0,1]=3 18 B16R2.23372 CC(=O)C1=C(O)C2=C(C=CC=C2)NC1=O 26239 [0,1,0,0,0,0|2,0,0]=3 19 B16R2.23372 CC1=NC2=CC=CC=C2C(C)=C1C(=O)O A11857 [0,1,0,0,0,0|2,0,0]=3 20 B16R2.23520 CC1=C(C(=O)O)C=C2C=CC(Br)=CC2=N1 88476 [0,1,0,0,0,0|2,0,0]=3 21 B16R2.23520 O=C(O)C1=CC2=C(C=C(Br)C=C2)OC1=O 90290 [0,1,0,0,0,0|0,0,0]=1 22 B16R2.23520 O=C(O)C1=CC2=C(C=C(F)C=C2)OC1=O 90288 [0,1,0,0,0,0|0,0,0]=1 23 B16R2.23520 O=C1OC2=C(C=CC(O)=C2)C=C1C(F)F 57079 [0,1,0,0,0,0|2,0,1]=4 24 B16R2.23521 CC(=O)C1=C(Cl)N=C2C=CC(Br)=CC2=C1 90902 [0,1,0,0,0,0|3,0,0]=4 25 B16R2.23521 CC1=CC=C2N=C(Cl)C(C(=O)O)=CC2=C1 D85392 [0,1,0,0,0,0|2,0,0]=3 26 B16R2.23521 O=C(O)C1=CC2=C(C=CC(F)=C2)OC1=O 90284 [0,1,0,0,0,0|0,0,0]=1 27 B16R2.23521 O=C(O)C1=CC2=C(C=CC(O)=C2)OC1=O 90281 [0,1,0,0,0,0|0,0,0]=1 28 B16R2.33941 CC1=NC2=CC=CC=C2C=C1C(=O)CBr 85799 [0,1,0,0,0,0|3,0,0]=4 29 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2C=C1N A12275 [0,1,0,0,0,0|2,0,0]=3 30 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2N=C1N C76408 [0,1,0,0,0,0|2,0,0]=3 31 B16R2.33941 COC(=O)C1=CC2=CC=CN=C2NC1=O C16059 [0,1,0,0,0,0|2,0,0]=3 32 B16R2.33941 COC(=O)C1=CC2=CC=NC=C2N=C1O 54277 [0,1,0,0,0,0|2,0,1]=4 33 B16R2.33941 COC(=O)C1=NC2=CC=CC=C2C=C1N O11902 [0,1,0,0,0,0|3,0,0]=4 34 B16R2.83668 CC1=C(C(=O)O)NC2=C(C=CC=C2)C1=O F50997 [0,1,0,0,0,0|3,0,0]=4 35 B16R2.83668 CN1C(=O)C(C(=O)O)=CC2=CC=CN=C21 N11761 [0,1,0,0,0,0|2,0,0]=3 36 B16R2.83668 NC1=C(Br)C2=CC=CC=C2C=C1C(=O)O 93807 [0,1,0,0,0,0|2,0,0]=3 37 B16R2.126888 O=C(O)C1=CC2=C(Cl)C=CC=C2NC1=O N11773 [0,1,0,0,0,0|1,0,0]=2 38 B16R3.17428 O=C1CCC2=CC3=CC=CC=C3C=C12 C14161 [0,0,0,1,0,0|3,0,0]=4 39 B16R3.17428 O=C1COC2=CC3=CC=CC=C3C=C12 AC6128 [0,0,0,1,0,0|2,0,1]=4 40 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=C2)O1 D72541 [0,0,0,0,1,0|3,0,0]=4 41 B14R2.450 CC(=O)C1=C(O)C2=C(C=CC=C2)O1 D73268 [0,0,0,0,1,0|2,0,1]=4 42 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C P10161 [0,0,0,0,1,0|3,0,0]=4 43 B14R2.450 CC1=C(C(=O)Cl)SC2=C1C=CC=C2 A11319 [0,0,0,0,1,0|3,0,0]=4 44 B14R2.450 CN1C(C(N)=O)=CC2=C1C=CC=C2 F13270 [0,0,0,0,1,0|3,0,0]=4 45 B14R2.450 NC1=C(C(=O)O)N=C2C=CC=CN21 58232 [0,0,0,0,1,0|3,0,0]=4 46 B14R2.450 NC1=C(C(=O)O)OC2=C1C=CC=N2 N13338 [0,0,0,0,1,0|3,0,0]=4 47 B14R2.450 NC1=C(C(=O)O)SC2=C1N=CC=C2 89769 [0,0,0,0,1,0|3,0,0]=4 48 B14R2.450 O=C(O)C1=C(O)C2=C(C=CC=C2)N1 D78597 [0,0,0,0,1,0|1,0,1]=3 49 B14R2.624 CC1=C(C(=O)O)C=C2NC=CC2=C1 I11068 [0,0,0,0,1,0|3,0,0]=4 50 B14R2.624 O=C(O)C1=CC2=C(NC=N2)NC1=O N11760 [0,0,0,0,1,0|3,0,0]=4 51 B14R2.642 CC(=O)C1=C(Cl)NC2=C1C=CC=C2 F53467 [0,0,0,0,1,0|3,0,0]=4 52 B14R2.642 CC1=C(C(=O)O)C2=C(C=CC=C2)O1 D78673 [0,0,0,0,1,0|1,0,0]=2 53 B14R2.642 O=C(O)C1=C(Cl)NC2=C1C=CC=C2 F10423 [0,0,0,0,1,0|2,0,0]=3 54 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)NC1=O C77569 [0,0,0,0,0,1|1,0,0]=2 55 B16R2.3989 O=C(O)C[C@@H]1NC2=C(C=CC=C2)NC1=O F50259 [0,0,0,0,0,1|2,0,1]=4 56 B13R1.348 CC(=O)CC(=O)OC1=CC=CC=C1 F12019 [1,0,1,0,0,0|1,0,1]=4 57 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 C14931 [1,0,1,0,0,0|1,0,1]=4 58 B13R1.202 O=C(O)C(=O)CC1=C(Br)C=CC=C1 C91159 [1,0,1,0,0,0|1,0,1]=4 59 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [2,0,0,0,0,0|1,0,1]=4 60 B15R1.4686 COC(=O)\C(=C\C1=CN=CC=C1)C(=O)O C13432 [0,1,1,0,0,0|1,0,0]=3 61 B15R1.5732 CC1=CC=CC(CC(C(=O)O)C(=O)O)=C1 79920 [0,1,1,0,0,0|0,0,2]=4 62 B15R2.627 NC1=C(C(=O)O)C=CC2=NC=CC=C21 D96818 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.627 NC1=C(C(=O)O)N=NC2=CC=CC=C21 97747 [1,1,0,0,0,0|2,0,0]=4 64 B15R2.627 O=C(O)C1=C(Cl)C2=CC=NC=C2C=C1 E70448 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.627 O=C(O)C1=CSC2=NC=CC=C2C1=O D85373 [1,1,0,0,0,0|1,1,0]=4 66 B15R2.7174 CC1=CC=C2N=CC(C(=O)O)=CC2=C1 69450 [1,1,0,0,0,0|1,0,0]=3 67 B15R2.7174 O=C(O)C1=CC=C2C=CC(Cl)=CC2=N1 76407 [1,1,0,0,0,0|2,0,0]=4 68 B15R2.7174 O=C(O)C1=CN=C2C=CC(I)=CC2=C1 69447 [1,1,0,0,0,0|1,0,0]=3 69 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=NC2=C1 69430 [1,1,0,0,0,0|1,0,0]=3 70 B15R2.7180 CC1=CN=C2C=C(C(=O)O)C=CC2=C1 K10057 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.7180 NC(=O)C1=CN=C2C=C(Br)C=CC2=C1 K10030 [1,1,0,0,0,0|2,0,0]=4 72 B15R2.7180 NC1=CC=C2N=C(C(=O)O)C=CC2=C1 80341 [1,1,0,0,0,0|2,0,0]=4 73 B15R2.7180 O=C(O)C1=CC2=NC=C(O)C=C2N=C1 E70453 [1,1,0,0,0,0|2,0,0]=4 74 B15R2.7180 O=C(O)C1=CC=C2C=C(I)C=CC2=C1 D78655 [1,1,0,0,0,0|1,0,0]=3 75 B15R2.7180 O=C(O)C1=CN=C2C=C(I)C=CC2=C1 69427 [1,1,0,0,0,0|1,0,0]=3 76 B15R2.13598 CC1=C2N=CC(C(=O)O)=CC2=CC=C1 69461 [1,1,0,0,0,0|1,0,0]=3 77 B15R2.13598 NC(=O)C1=CN=C2C(F)=CC=CC2=C1 S11552 [1,1,0,0,0,0|2,0,0]=4 78 B15R2.13598 NC1=C2C=CC(C(=O)O)=NC2=CC=C1 82806 [1,1,0,0,0,0|2,0,0]=4 79 B15R2.13598 O=C(O)C1=CC2=NC=CC(O)=C2C=C1 27538 [1,1,0,0,0,0|2,0,0]=4 80 B15R2.13598 O=C(O)C1=CC=C2C(=O)C=CC=C2N1 P15426 [1,1,0,0,0,0|2,0,0]=4 81 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 AC5673 [1,1,0,0,0,0|2,0,0]=4 82 B15R2.14951 O=C(O)C1=CC2=CN=CC=C2C(O)=C1 D87206 [1,1,0,0,0,0|2,0,0]=4 83 B15R2.61353 NC1=C2C=C(C(=O)O)C=NC2=CC=C1 80387 [1,1,0,0,0,0|1,0,0]=3 84 B15R2.61353 NC1=C2N=C(C(=O)O)C=CC2=CC=C1 AT13266 [1,1,0,0,0,0|2,0,0]=4 85 B15R2.61353 O=C(O)C1=CN=C2C=NC=C(Br)C2=C1 E70454 [1,1,0,0,0,0|2,0,0]=4 86 B15R2.1754 O=CC1=C(Cl)N=C2C=C(Br)C=CC2=C1 AT13208 [1,1,0,0,0,0|2,0,0]=4 87 B15R2.1754 O=CC1=C(Cl)N=C2C=C(I)C=CC2=C1 D80075 [1,1,0,0,0,0|2,0,0]=4 88 B15R2.1754 O=CC1=CC2=C(C=C(F)C=C2)NC1=O AT24322 [1,1,0,0,0,0|1,0,0]=3 89 B15R2.1754 O=CC1=CC2=C(C=C(O)C=C2)OC1=O D73339 [1,1,0,0,0,0|0,0,0]=2 90 B15R2.1754 O=CC1=CC2=CC=C(O)C=C2N=C1Cl AC6284 [1,1,0,0,0,0|2,0,0]=4 91 B15R2.1824 CC1=CC2=C(C=C1)NC(=O)C(C=O)=C2 52377 [1,1,0,0,0,0|1,0,0]=3 92 B15R2.1824 N#CC1=CC2=C(C=CC(Br)=C2)OC1=O 95284 [1,1,0,0,0,0|1,0,1]=4 93 B15R2.1824 N#CC1=CC2=C(C=CC(Cl)=C2)OC1=O 97145 [1,1,0,0,0,0|1,0,1]=4 94 B15R2.1824 N#CC1=CC2=C(C=CC(F)=C2)OC1=O 95285 [1,1,0,0,0,0|1,0,1]=4 95 B15R2.1824 O=CC1=CC2=CC(Cl)=CC=C2N=C1Cl 54762 [1,1,0,0,0,0|2,0,0]=4 96 B15R2.1824 O=CC1=CC2=CC(O)=CC=C2N=C1Cl 54763 [1,1,0,0,0,0|2,0,0]=4 97 B15R2.2393 O=CC1=CC2=C(Cl)C=CC=C2N=C1Cl AC2831 [1,1,0,0,0,0|2,0,0]=4 98 B15R2.21243 CN1C(=O)C(CO)=CC2=C1C=CC=C2 C77672 [1,1,0,0,0,0|1,0,1]=4 99 B15R2.1592 COC(=O)C1=C(C)C2=C(C=CC=C2)O1 84765 [0,1,0,0,1,0|2,0,0]=4 100 B15R2.1592 COC(=O)C1=C(Cl)C2=C(C=CC=C2)N1 AT15691 [0,1,0,0,1,0|2,0,0]=4 101 B15R2.1592 COC(=O)C1=C(O)C2=C(C=CC=C2)O1 AC6270 [0,1,0,0,1,0|1,0,1]=4 102 B15R2.4190 CCN1C(C(=O)O)=CC2=C1C=CC=C2 AT23476 [0,1,0,0,1,0|2,0,0]=4 103 B15R2.4190 COC1=C(C(=O)O)OC2=C1C=CC=C2 75862 [0,1,0,0,1,0|1,0,1]=4 104 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(F)C=C2 87158 [0,1,0,0,1,0|2,0,0]=4 105 B15R2.7203 CC1=CC2=C(C=C1)OC(C(=O)O)=C2C F20887 [0,1,0,0,1,0|2,0,0]=4 106 B15R2.13463 CC1=C(C(=O)O)NC2=C(Cl)C=CC=C12 A12125 [0,1,0,0,1,0|2,0,0]=4 107 B15R2.13463 CN1C(C(=O)O)=CC2=C(F)C=CC=C21 C71462 [0,1,0,0,1,0|2,0,0]=4 108 B15R2.14758 CC1=C(C(=O)O)OC2=C1C=CC(Br)=C2 98467 [0,1,0,0,1,0|2,0,0]=4 109 B15R2.1853 CCC1=C(C(=O)O)C2=C(C=CC=C2)O1 95745 [0,1,0,0,1,0|1,0,0]=3 110 B17R2.3007 COC1=C(Cl)C2=CC=CC=C2C=C1C(=O)O E71169 [0,2,0,0,0,0|1,0,1]=4 111 B17R2.58215 COC(=O)C1=CC2=CC=C(F)C=C2N=C1Cl E71232 [0,2,0,0,0,0|2,0,0]=4 112 B17R2.64947 COC1=CC=C2C=C(C(=O)O)C(=O)NC2=N1 66191 [0,2,0,0,0,0|2,0,0]=4 113 B17R2.78303 O=C(O)C1=CC2=CC(Br)=C(O)C=C2OC1=O 97139 [0,2,0,0,0,0|0,0,0]=2 114 B17R2.78303 O=C(O)C1=CC2=CC(F)=C(F)C=C2N=C1Cl D85397 [0,2,0,0,0,0|2,0,0]=4 115 B17R2.58255 COC(=O)C1=CC2=CC(Cl)=CC=C2N=C1Cl E71230 [0,2,0,0,0,0|2,0,0]=4 116 B17R2.64948 COC1=CC2=C(C=C1)OC(=O)C(C(=O)O)=C2 90282 [0,2,0,0,0,0|0,0,0]=2 117 B17R2.64948 COC1=CC=C2N=C(Cl)C(C(=O)O)=CC2=C1 D85398 [0,2,0,0,0,0|2,0,0]=4 118 B17R2.58395 COC(=O)C1=CC2=CC=CC(O)=C2NC1=O 57731 [0,2,0,0,0,0|1,0,0]=3 119 B15R2.1162 NC1=C(C(=O)O)C2=CC=CC=C2C=C1 68060 [0,0,1,1,0,0|2,0,0]=4 120 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 W16116 [1,0,0,0,1,0|1,0,0]=3 121 B13R2.72 NC(=O)C1=COC2=C1C=CC=C2 AC7458 [1,0,0,0,1,0|1,0,0]=3 122 B13R2.72 NC(=O)C1=COC2=CC=CN=C21 F14121 [1,0,0,0,1,0|2,0,0]=4 123 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 F30599 [1,0,0,0,1,0|2,0,0]=4 124 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 30091 [1,0,0,0,1,0|2,0,0]=4 125 B13R2.72 O=C(O)C1=CC=C2C=CC=CN21 58576 [1,0,0,0,1,0|2,0,0]=4 126 B13R2.72 O=C(O)C1=NOC2=C1C=CC=N2 F14142 [1,0,0,0,1,0|2,0,0]=4 127 B13R2.72 O=C(O)[C@@H]1C=CC2=C1C=CC=C2 F15123 [1,0,0,0,1,0|1,0,1]=4 128 B13R2.72 O=C(O)[C@@H]1COC2=C1C=CC=C2 D78639 [1,0,0,0,1,0|0,0,2]=4 129 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 F20741 [1,0,0,0,1,0|2,0,0]=4 130 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 D76647 [1,0,0,0,1,0|1,0,0]=3 131 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 O10413 [1,0,0,0,1,0|2,0,0]=4 132 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 AT21741 [1,0,0,0,1,0|1,0,0]=3 133 B13R2.435 O=[S@]([O-])C1=CC2=C(C=CC=C2)O1 F14144 [1,0,0,0,1,0|1,0,1]=4 134 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 54475 [1,0,0,0,1,0|2,0,0]=4 135 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 AC9120 [1,0,0,0,1,0|1,0,1]=4 136 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 C75017 [1,0,0,0,1,0|1,1,0]=4 137 B13R2.135 O=CC1=C(Cl)CC2=C1C=CC=C2 AC9182 [1,0,0,0,1,0|2,0,0]=4 138 B15R2.629 O=C(O)CN1SC2=C(C=CC=C2)C1=O F20214 [0,0,0,0,1,1|2,0,0]=4 139 B15R2.988 NC1=CC2=CC=CC=C2C(C(=O)O)=C1 AT25659 [0,0,0,0,1,1|2,0,0]=4 140 B15R2.988 O=C(O)C1=NC(Cl)=NC2=CC=CC=C21 P10958 [0,0,0,0,1,1|2,0,0]=4