0 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 CS-W021190 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.435 CC(N)C1=NC2=C(C=CC=C2)N1 CS-0038116 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS-D0022 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS-W018616 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 CS-0044767 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 CS-0006625 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS-W004828 [1,0,0,0,0,0|0,0,1]=2 7 B12R2.32 OCC1=CN2C=CC=CC2=N1 CS-D0301 [1,0,0,0,0,0|1,0,2]=4 8 B14R2.450 CC1=C(C(=O)O)N=C2C=CC=CN21 CS-0046957 [0,1,0,0,0,0|1,0,1]=3 9 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O CS-W019148 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.450 O=C(Cl)C1=C(Cl)C2=CC=CC=C2S1 CS-W010366 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.972 CNC(=O)C1=NN2C=CC=CC2=C1 CS-W018350 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 CS-W022774 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 CS-0018975 [0,1,0,0,0,0|0,0,0]=1 14 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=C1 CS-0043148 [0,1,0,0,0,0|1,0,0]=2 15 B14R2.4529 CC1=NC2=C(C=C1)OC(C(=O)O)=C2 CS-0047107 [0,1,0,0,0,0|2,0,0]=3 16 B14R2.4529 NC1=CC=C2OC(C(=O)O)=CC2=C1 CS-M1933 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 CS-B1081 [0,1,0,0,0,0|1,0,0]=2 18 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 CS-W022300 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 CS-0002367 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 CS-0004680 [0,1,0,0,0,0|1,0,0]=2 21 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 CS-W017375 [0,1,0,0,0,0|0,0,0]=1 22 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 CS-0002366 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=C1 CS-0039522 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.4529 O=C(O)C1=CN2C=C(Br)N=CC2=N1 CS-0006112 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.4529 O=C(O)C1=CN2C=C(O)C=CC2=N1 CS-0102066 [0,1,0,0,0,0|1,0,1]=3 26 B14R2.4529 OB(O)C1=CC2=CC=C(Cl)C=C2S1 CS-0043642 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 CS-W005497 [0,1,0,0,0,0|0,0,0]=1 28 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 CS-0041386 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2F)S1 CS-0101670 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 CS-W008408 [0,1,0,0,0,0|0,0,0]=1 31 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 CS-0039517 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 CS-B0212 [0,1,0,0,0,0|1,0,0]=2 33 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 CS-M1618 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.43 CC(NC1=CC=CN=C1)C(=O)O CS-0047141 [0,0,1,0,0,0|1,0,2]=4 35 B12R1.43 C\C(=C/C1=CC=CC=N1)C(=O)O CS-0090464 [0,0,1,0,0,0|2,0,0]=3 36 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1F CS-0047014 [0,0,1,0,0,0|2,0,1]=4 37 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 CS-W018701 [0,0,0,0,0,1|0,0,0]=1 38 B14R2.781 CC(=O)C1=NC2=CC=CC=C2N=C1 CS-0095201 [0,0,0,0,0,1|1,0,1]=3 39 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 CS-B1830 [0,0,0,0,0,1|1,0,1]=3 40 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 CS-0039143 [0,0,0,0,0,1|2,0,0]=3 41 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 CS-D0176 [0,0,0,0,0,1|1,0,1]=3 42 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 CS-W021781 [1,0,1,0,0,0|1,0,0]=3 43 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 CS-W021780 [1,0,1,0,0,0|1,0,0]=3 44 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 CS-WAA0095 [2,0,0,0,0,0|2,0,0]=4 45 B11R2.10 BrC1=CC2=CC=CN=C2N1 CS-B0559 [2,0,0,0,0,0|2,0,0]=4 46 B11R2.10 O=C1NC2=C(C=NC=C2)N1 CS-W021327 [2,0,0,0,0,0|2,0,0]=4 47 B11R2.10 OC1=NC2=CC=CC=C2N1 CS-W008003 [2,0,0,0,0,0|1,0,0]=3 48 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O CS-0112389 [0,1,1,0,0,0|1,0,0]=3 49 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O CS-W012746 [0,1,1,0,0,0|0,0,2]=4 50 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O CS-D1377 [0,1,1,0,0,0|0,0,2]=4 51 B13R1.133 [C@H](N)(CC1=CC=C(N)C=C1)C(=O)O CS-W017196 [0,1,1,0,0,0|0,0,2]=4 52 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O CS-W008183 [0,1,1,0,0,0|0,0,2]=4 53 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1N CS-0102068 [0,1,1,0,0,0|0,0,0]=2 54 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)N1 CS-0050314 [1,1,0,0,0,0|0,0,0]=2 55 B13R2.43 OCC1=CC2=C(C=CC(Cl)=C2)N1 CS-0053155 [1,1,0,0,0,0|0,0,1]=3 56 B13R2.45 CC1=C(C=O)N=C2C=CC=CN21 CS-0037920 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 CS-0041558 [1,1,0,0,0,0|0,0,0]=2 58 B13R2.45 OCC1=C(Cl)C2=C(C=CC=C2)S1 CS-0037832 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2S1 CS-0097499 [1,1,0,0,0,0|1,0,0]=3 60 B15R2.984 CC(=O)C1=CC2=CC=CC=C2NC1=O CS-0047054 [0,1,0,0,0,1|1,0,0]=3 61 B15R2.984 CC1=NC2=C(C=NC=C2)C=C1C(=O)O CS-0037474 [0,1,0,0,0,1|1,0,1]=4 62 B15R2.1601 COC(=O)C1=CC2=C(C=C1)C=NC=C2 CS-0021457 [0,1,0,0,0,1|2,0,0]=4 63 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2N=C1 CS-0097864 [0,1,0,0,0,1|0,0,1]=3 64 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 CS-W016857 [0,1,0,0,0,1|0,0,1]=3 65 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=C1 CS-0039508 [0,1,0,0,0,1|1,0,0]=3 66 B15R2.7180 CC(=O)C1=CC=C2C=C(N)C=CC2=C1 CS-0045206 [0,1,0,0,0,1|2,0,0]=4 67 B15R2.7180 O=C(O)C1=CC2=C(C=C(Br)C=C2)N=C1 CS-0041433 [0,1,0,0,0,1|0,0,1]=3 68 B15R2.7180 O=C(O)C1=CC=C2C=C(O)C=CC2=N1 CS-0035779 [0,1,0,0,0,1|0,0,1]=3 69 B15R2.7180 O=C(O)[C@H]1CC2=C(C=C(O)C=C2)CN1 CS-M1263 [0,1,0,0,0,1|0,0,2]=4 70 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=C1 CS-W007027 [0,1,0,0,0,1|1,0,0]=3 71 B15R2.61353 O=C(O)C1=CC2=C(C=C1)C=NC=C2Br CS-0039506 [0,1,0,0,0,1|2,0,0]=4 72 B15R2.1592 COC(=O)C1=C(Br)C2=C(C=CC=C2)N1 CS-0044440 [0,2,0,0,0,0|0,0,0]=2 73 B15R2.1592 COC(=O)C1=C(C)C2=CC=CC=C2S1 CS-0063188 [0,2,0,0,0,0|1,0,0]=3 74 B15R2.1356 CCOC(=O)C1=CC2=CC=CN=C2N1 CS-B1286 [0,2,0,0,0,0|1,0,0]=3 75 B15R2.1356 CCOC(=O)C1=NC2=CC=CC=C2S1 CS-W015265 [0,2,0,0,0,0|1,0,1]=4 76 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)N1 CS-0036684 [0,2,0,0,0,0|0,0,0]=2 77 B15R2.1590 COC(=O)C1=CC2=CC(N)=CC=C2O1 CS-M2650 [0,2,0,0,0,0|1,0,0]=3 78 B15R2.1590 COC(=O)C1=CC2=CC=C(Br)C=C2N1 CS-W022873 [0,2,0,0,0,0|0,0,0]=2 79 B15R2.1590 COC(=O)C1=CC2=CC=C(F)C=C2S1 CS-0102226 [0,2,0,0,0,0|1,0,0]=3 80 B15R2.1590 COC(=O)C1=NC2=CC(Br)=CC=C2S1 CS-0063868 [0,2,0,0,0,0|1,0,1]=4 81 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 CS-W007863 [0,2,0,0,0,0|0,0,0]=2 82 B15R2.7254 CC1=C(Br)C=CC2=C1C=C(C(=O)O)N2 CS-0035199 [0,2,0,0,0,0|0,0,0]=2 83 B15R2.15633 O=C(O)C1=CC2=C(Br)C=C(F)C=C2S1 CS-M1000 [0,2,0,0,0,0|1,0,0]=3 84 B15R2.20824 COC1=CC=CC2=C1C=C(C(=O)O)N2 CS-W010725 [0,2,0,0,0,0|0,0,0]=2 85 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 CS-W006095 [0,0,1,1,0,0|2,0,0]=4 86 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 CS-W006213 [0,0,1,1,0,0|2,0,0]=4 87 B13R2.72 O=C(O)C1=NOC2=CC=CC=C21 CS-W005473 [0,0,1,1,0,0|1,0,1]=4 88 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 CS-W022733 [0,0,1,1,0,0|1,0,1]=4 89 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 CS-W007218 [0,0,1,1,0,0|2,0,0]=4 90 B13R2.5569 O=C(O)C1=CC=CC2=CN=CN21 CS-WAA0058 [0,0,1,1,0,0|1,0,0]=3 91 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CN2 CS-0030160 [0,0,1,1,0,0|1,0,1]=4 92 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [0,0,1,0,1,0|1,0,1]=4 93 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 CS-0040444 [0,0,1,0,1,0|1,0,1]=4 94 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CS-0006090 [1,0,0,0,0,1|0,0,1]=3 95 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 CS-W008168 [1,0,0,0,0,1|0,0,1]=3 96 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 CS-0044957 [1,0,0,0,0,1|0,0,2]=4 97 B15R2.1668 O=C(O)CC1=CC=C2N=CC=CC2=C1 CS-W019185 [0,0,0,0,0,2|2,0,0]=4