0 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 D74564 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)N1 P20955 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 20909 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)N1 C77149 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 O=C(O)C1=NN2C=CC=CC2=N1 D86312 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 P12344 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.32 N#CC1=CC2=C(N=CC=C2)N1 P17159 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.32 NCC1=CC2=C(C=CN=C2)N1 77865 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 D79839 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.32 O=CC1=CC2=C(C=NC=C2)S1 D79728 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.32 O=CC1=CN2C=CC=NC2=N1 87402 [1,0,0,0,0,0|2,0,1]=4 11 B14R2.450 CC1=C(C(=O)O)SC2=NC=CC=C21 D84760 [0,1,0,0,0,0|2,0,0]=3 12 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 38450 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2O1 AT14348 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.4529 O=C(O)C1=CN2N=CC(Cl)=CC2=N1 P18850 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.4529 O=C(O)C1=NC2=C(C=C(F)C=C2)S1 28144 [0,1,0,0,0,0|1,0,1]=3 16 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 38462 [0,1,0,0,0,0|1,0,1]=3 17 B14R2.7969 CC1=CC=NC2=C1C=C(C(=O)O)N2 63730 [0,1,0,0,0,0|1,0,0]=2 18 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 Y14011 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)O1 W14709 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2F)S1 57199 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 C73937 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 P12650 [0,1,0,0,0,0|1,0,1]=3 23 B12R2.252 O=C(O)C1=CC2=C(N=CS2)N1 65534 [0,0,0,0,1,0|2,0,0]=3 24 B14R2.768 CC(=O)CC1=CC2=C(C=CC=C2)N1 D93534 [0,0,0,0,0,1|1,0,0]=2 25 B14R2.781 NC(=S)C1=CC2=CC=CC=C2C=N1 C11146 [0,0,0,0,0,1|1,1,1]=4 26 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 37242 [0,0,0,0,0,1|1,0,1]=3 27 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)C1 85684 [0,0,0,0,0,1|1,0,2]=4 28 B11R1.91 O=C(O)CNC1=CN=CC=C1 C75069 [1,0,1,0,0,0|1,0,1]=4 29 B11R2.10 BrC1=CC2=C(C=CN=C2)N1 D84807 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O Y11468 [0,1,1,0,0,0|0,0,2]=4 31 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y12214 [0,1,1,0,0,0|0,0,2]=4 32 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13935 [0,1,1,0,0,0|0,0,2]=4 33 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32287 [0,1,1,0,0,0|0,0,2]=4 34 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 50826 [0,1,1,0,0,0|0,0,2]=4 35 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O F15185 [0,1,1,0,0,0|0,0,2]=4 36 B13R2.26 OCCC1=CC2=C(C=CC=C2)N1 W14688 [1,1,0,0,0,0|0,0,1]=3 37 B13R2.43 N#CC1=CC2=C(C=C(Br)C=C2)N1 D96347 [1,1,0,0,0,0|1,0,1]=4 38 B13R2.43 O=CC1=CC2=CN=C(Cl)C=C2N1 D78885 [1,1,0,0,0,0|1,0,0]=3 39 B13R2.43 OCC1=CC2=CC(Br)=CN=C2N1 C73208 [1,1,0,0,0,0|1,0,1]=4 40 B13R2.45 CN1C(C=O)=CC2=C1N=CC=C2 P13056 [1,1,0,0,0,0|1,0,0]=3 41 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)S2)N1 D74162 [0,1,0,0,1,0|1,0,0]=3 42 B13R2.2334 O=C(O)C1=C(Br)C2=C(C=CO2)N1 L10122 [0,1,0,0,1,0|1,0,0]=3 43 B13R2.15272 COC(=O)C1=CC2=C1C=CC=C2 C74803 [0,1,0,0,1,0|0,0,0]=2 44 B15R2.627 O=C(O)C1=C(Br)C2=CC=CN=C2C=C1 D85327 [0,1,0,0,0,1|2,0,0]=4 45 B15R2.627 O=C(O)C1=C(F)C2=CC=CC=C2C=C1 W12368 [0,1,0,0,0,1|1,0,0]=3 46 B15R2.7174 O=C(O)C1=CC2=NC(O)=CC=C2N=C1 K10110 [0,1,0,0,0,1|1,0,1]=4 47 B15R2.7174 O=C(O)C1=CC=C2C=NC(Cl)=CC2=C1 78617 [0,1,0,0,0,1|2,0,0]=4 48 B15R2.7174 O=C(O)C1=CC=C2N=CC(F)=CC2=C1 33256 [0,1,0,0,0,1|2,0,0]=4 49 B15R2.7174 O=C(O)[C@@H]1CC2=C(C=CC(F)=C2)CN1 AT18811 [0,1,0,0,0,1|0,0,2]=4 50 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 D88173 [0,1,0,0,0,1|2,0,0]=4 51 B15R2.7180 NC1=CC=C2C=C(C(=O)O)C=CC2=N1 27928 [0,1,0,0,0,1|2,0,0]=4 52 B15R2.7180 NC1=CN=C2C=C(C(=O)O)C=CC2=C1 33329 [0,1,0,0,0,1|2,0,0]=4 53 B15R2.7180 NC1=NC=C2C=C(C(=O)O)C=CC2=C1 68508 [0,1,0,0,0,1|2,0,0]=4 54 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=C1 C75360 [0,1,0,0,0,1|1,0,0]=3 55 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=NC2=C1 33311 [0,1,0,0,0,1|2,0,0]=4 56 B15R2.7180 O=C(O)C1=CN=C2C=C(Br)C=NC2=C1 K10070 [0,1,0,0,0,1|1,0,1]=4 57 B15R2.7180 O=C(O)C1=CN=C2C=C(Cl)C=CC2=N1 P18215 [0,1,0,0,0,1|0,0,1]=3 58 B15R2.7180 O=C(O)C1=CN=C2C=C(F)C=CC2=N1 P20131 [0,1,0,0,0,1|0,0,1]=3 59 B15R2.7180 O=C(O)C1=NC=C2C=C(F)C=CC2=N1 P20076 [0,1,0,0,0,1|0,0,1]=3 60 B15R2.13598 CC(=O)C1=CC2=CC=CC(C)=C2N=C1 P19483 [0,1,0,0,0,1|1,0,1]=4 61 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CN=CC2=C1 K10080 [0,1,0,0,0,1|2,0,0]=4 62 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=C1 76274 [0,1,0,0,0,1|1,0,0]=3 63 B15R2.13598 O=C(O)C1=NC2=CC=CC(O)=C2C=C1 D72915 [0,1,0,0,0,1|0,0,1]=3 64 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(O)=C1 F51110 [0,1,0,0,0,1|1,0,0]=3 65 B15R2.14951 O=C(O)C1=CC2=CC=CN=C2C(O)=C1 C77086 [0,1,0,0,0,1|2,0,0]=4 66 B15R2.61353 NC1=C2C=C(C(=O)O)N=CC2=CC=C1 W19058 [0,1,0,0,0,1|0,0,1]=3 67 B15R2.61353 O=C(O)C1=CC2=C(O)C=CC=C2C=C1 W12532 [0,1,0,0,0,1|1,0,0]=3 68 B15R2.61353 O=C(O)C1=CC=C2C=CC=C(I)C2=C1 W18976 [0,1,0,0,0,1|1,0,0]=3 69 B15R2.61353 O=C(O)C1=CC=C2C=CN=C(Cl)C2=C1 78616 [0,1,0,0,0,1|2,0,0]=4 70 B15R2.1592 COC(=O)C1=C(Br)C2=NC=CC=C2N1 22931 [0,2,0,0,0,0|1,0,0]=3 71 B15R2.7203 CN1C(C(=O)O)=CC2=C1C=C(F)C=C2 W18204 [0,2,0,0,0,0|0,0,0]=2 72 B15R2.13463 O=C(O)C1=C(F)N2C=CC=C(Br)C2=N1 D79564 [0,2,0,0,0,0|1,0,1]=4 73 B15R2.13629 CC1=C(C(=O)O)SC2=CN=CC(Br)=C21 57201 [0,2,0,0,0,0|2,0,0]=4 74 B15R2.1356 CCOC(=O)C1=CN2C=CC=C[C@H]2N1 78685 [0,2,0,0,0,0|1,0,1]=4 75 B15R2.1590 COC(=O)C1=CC2=C(N=C(C)C=C2)N1 D96700 [0,2,0,0,0,0|1,0,0]=3 76 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=NC=C2O1 W19434 [0,2,0,0,0,0|2,0,0]=4 77 B15R2.1590 COC(=O)[C@@H]1CC2=C(C=CC(Cl)=C2)N1 P19222 [0,2,0,0,0,0|0,0,2]=4 78 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Br)=NC=C2 C73951 [0,2,0,0,0,0|2,0,0]=4 79 B15R2.1102 O=C(O)C1=CN2C=C(F)C(Br)=CC2=N1 P18141 [0,2,0,0,0,0|1,0,1]=4 80 B15R2.1102 O=C(O)C1=CN2C=C(F)C(Cl)=CC2=N1 P18033 [0,2,0,0,0,0|1,0,1]=4 81 B15R2.15633 O=C(O)C1=CC2=C(Br)C=C(F)C=C2S1 C11749 [0,2,0,0,0,0|1,0,0]=3 82 B15R2.15633 O=C(O)C1=CN2C=C(Br)C=C(F)C2=N1 C72061 [0,2,0,0,0,0|1,0,1]=4 83 B15R2.20824 N#CC1=CC=CC2=C1C=C(C(=O)O)S2 D96952 [0,2,0,0,0,0|1,0,0]=3 84 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=C1 F53484 [0,0,1,1,0,0|2,0,0]=4 85 B13R2.5179 NC1=C2N=CC(O)=CC2=CC=C1 73653 [0,0,1,1,0,0|2,0,0]=4 86 B13R2.5179 OC1=CC=C2C(Cl)=CC=CC2=C1 N14583 [0,0,1,1,0,0|2,0,0]=4 87 B13R2.72 O=C(O)C1=CC=C2C=NC=NN21 54135 [0,0,1,1,0,0|2,0,0]=4 88 B13R2.430 O=C(O)C1=CN2C=CC=C2C=N1 C10069 [0,0,1,1,0,0|1,0,1]=4 89 B13R2.5569 O=C(O)C1=CC=NC2=CC=NN21 89845 [0,0,1,1,0,0|2,0,0]=4 90 B13R2.5569 O=C(O)C1=NC=CC2=C1NC=C2 38448 [0,0,1,1,0,0|1,0,1]=4 91 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,0,1,0,1,0|1,0,1]=4 92 B11R1.86 NC1=CC=CN=C1CC(=O)O D96389 [0,0,1,0,1,0|1,0,1]=4