0 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CS-B1305 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 CS-0053589 [0,0,0,0,0,0|1,0,1]=2 2 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS-D0699 [0,0,0,0,0,0|2,0,0]=2 3 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS-W007519 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 CS-D0464 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 CS-D1100 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.781 O=N(=O)C1=CC=C2N=CC=CC2=C1 CS-W017512 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS-W004804 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CS-D1121 [1,0,0,0,0,0|0,0,0]=1 9 B15R2.627 O=C(O)C1=C(Br)C2=CC=CC=C2C=C1 CS-W014099 [0,1,0,0,0,0|1,0,0]=2 10 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O CS-M2264 [0,1,0,0,0,0|2,0,0]=3 11 B15R2.627 O=[N+]([O-])C1=C(O)C2=CC=CC=C2N=C1 CS-M2023 [0,1,0,0,0,0|3,0,0]=4 12 B15R2.627 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1O CS-W007968 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O CS-W016820 [0,1,0,0,0,0|1,0,0]=2 14 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2OC1 CS-0059245 [0,1,0,0,0,0|2,0,1]=4 15 B15R2.7180 CC1=NC2=CC=C([N+](=O)[O-])C=C2C=C1 CS-0035739 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.7180 O=C1C=CC2=CC([N+](=O)[O-])=CC=C2O1 CS-W010731 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.61353 O=C(O)C1=NC2=C(C=CC=C2Br)C=C1 CS-W022562 [0,1,0,0,0,0|2,0,0]=3 18 B15R2.61353 O=[N+]([O-])C1=CC=C2N=CC=C(Cl)C2=C1 CS-D0485 [0,1,0,0,0,0|3,0,0]=4 19 B15R2.61353 O=[N+]([O-])C1=CC=C2N=CC=C(O)C2=C1 CS-0102491 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 CS-W010870 [0,0,0,0,1,0|1,0,2]=4 21 B13R2.72 O=C(O)C1=CNC2=C1C=NC=C2 CS-W019711 [0,0,0,0,1,0|3,0,0]=4 22 B13R2.72 O=C(O)C1=CNC2=CC=CN=C21 CS-W019708 [0,0,0,0,1,0|3,0,0]=4 23 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 CS-W008166 [0,0,0,0,1,0|2,0,0]=3 24 B13R2.72 O=[N+]([O-])C1=CNC2=CC=CC=C21 CS-W005280 [0,0,0,0,1,0|3,0,0]=4 25 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 CS-W017274 [0,0,0,0,1,0|3,0,0]=4 26 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 CS-D1057 [0,0,0,0,1,0|2,0,0]=3 27 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 CS-0043853 [0,0,0,0,1,0|3,0,0]=4 28 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 CS-W016136 [0,0,0,0,1,0|2,0,0]=3 29 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 CS-W020469 [0,0,0,0,1,0|2,0,0]=3 30 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 CS-W005955 [0,0,0,0,1,0|2,0,0]=3 31 B13R2.430 O=C(O)C1=CC=C2SC=CC2=C1 CS-B1177 [0,0,0,0,1,0|2,0,0]=3 32 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)NC=C2 CS-D1052 [0,0,0,0,1,0|3,0,0]=4 33 B13R2.430 O=[N+]([O-])C1=CC2=C(C=CN2)C=C1 CS-W001576 [0,0,0,0,1,0|3,0,0]=4 34 B13R2.430 O=[N+]([O-])C1=CC=C2SC=CC2=C1 CS-W006433 [0,0,0,0,1,0|3,0,0]=4 35 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS-W019416 [0,0,0,0,1,0|2,0,0]=3 36 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 CS-W023047 [0,0,0,0,1,0|2,0,0]=3 37 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CS-M1850 [0,0,0,0,1,0|2,0,0]=3 38 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CS-W004676 [0,0,0,0,1,0|2,0,0]=3 39 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CS-D0705 [0,0,0,0,1,0|3,0,0]=4 40 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS-W008320 [0,0,0,0,1,0|3,0,0]=4 41 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 CS-W016903 [0,0,0,0,0,1|1,0,0]=2 42 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br CS-0063883 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-W014304 [1,0,1,0,0,0|2,0,0]=4 44 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS-W016413 [2,0,0,0,0,0|1,0,0]=3 45 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS-0019265 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 ClC1=CC2=C(C=CC=N2)C=C1 CS-W005984 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS-W007458 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS-W007524 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS-W008203 [2,0,0,0,0,0|1,0,1]=4 50 B14R1.5389 C=CCC1=C(O)C=CC(C(C)=O)=C1O CS-B0010 [0,1,1,0,0,0|1,0,1]=4 51 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br CS-0041650 [1,1,0,0,0,0|2,0,0]=4 52 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 CS-W004895 [1,1,0,0,0,0|0,0,0]=2 53 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 CS-D0103 [1,1,0,0,0,0|1,0,1]=4 54 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 CS-W017503 [1,1,0,0,0,0|1,0,0]=3 55 B14R2.142 COC1=CC2=C(Br)C=CN=C2C=C1 CS-W014666 [1,1,0,0,0,0|2,0,0]=4 56 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2O CS-W017452 [1,1,0,0,0,0|2,0,0]=4 57 B14R2.142 O=CC1=NC2=C(C=CC=C2O)C=C1 CS-W017556 [1,1,0,0,0,0|1,0,0]=3 58 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 CS-W017504 [1,1,0,0,0,0|1,0,0]=3 59 B14R2.300 O=C(O)C1=CNC2=C1C=CC(Br)=C2 CS-W004920 [0,1,0,0,1,0|2,0,0]=4 60 B14R2.300 O=C(O)C1=CNC2=C1C=CC(F)=C2 CS-W006480 [0,1,0,0,1,0|2,0,0]=4 61 B14R2.642 CC(=O)C1=C(C)N=C2C=CC=CN21 CS-W021207 [0,1,0,0,1,0|2,0,0]=4 62 B14R2.5816 CC(=O)C1=CNC2=C1C=C(Br)C=C2 CS-D0479 [0,1,0,0,1,0|1,0,0]=3 63 B14R2.8032 CC1=C2NC=C(C(=O)O)C2=CC=C1 CS-0043730 [0,1,0,0,1,0|2,0,0]=4 64 B14R2.8053 O=C(O)C1=CNC2=C1C(F)=CC=C2 CS-0103510 [0,1,0,0,1,0|2,0,0]=4 65 B14R2.25733 CC(=O)N1C=C(Br)C2=C1C=CC=C2 CS-0041651 [0,1,0,0,1,0|1,0,0]=3 66 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=NN2 CS-D0838 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CN2 CS-W022885 [0,1,0,0,1,0|2,0,0]=4 68 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 CS-0037045 [0,1,0,0,1,0|2,0,0]=4 69 B14R2.966 COC(=O)C1=CC=C2OC=NC2=C1 CS-0028769 [0,1,0,0,1,0|2,0,0]=4 70 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 CS-W007593 [0,1,0,0,1,0|2,0,0]=4 71 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS-W007385 [0,1,0,0,1,0|2,0,0]=4 72 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 CS-W017282 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.7969 CC1=C2NC(C(=O)O)=CC2=CC=C1 CS-W005593 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 CS-0030481 [0,1,0,0,1,0|2,0,0]=4 75 B16R2.767 CCOC(=O)C1=NC2=CC=CC=C2C=C1 CS-0037461 [0,2,0,0,0,0|1,0,0]=3 76 B16R2.40082 COC1=CC(C(=O)O)=NC2=CC=CC=C21 CS-0063817 [0,2,0,0,0,0|2,0,0]=4 77 B14R2.31359 CC(=O)C1=NC=CC2=C1C=CC=C2 CS-0098097 [0,0,1,1,0,0|1,0,0]=3 78 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 CS-M0086 [0,0,1,1,0,0|1,0,1]=4 79 B14R2.31359 C[C@H](N)C1=C2C=CC=CC2=CC=C1 CS-B0323 [0,0,1,1,0,0|1,0,1]=4 80 B14R2.31359 O=C(O)C1=CC=CC2=C1C=CN=C2 CS-0006098 [0,0,1,1,0,0|2,0,0]=4 81 B14R2.31359 O=C(O)C1=CC=CC2=C1N=CC=C2 CS-W007371 [0,0,1,1,0,0|2,0,0]=4 82 B14R2.31359 O=C(O)C1=CC=CC2=CC=NC=C21 CS-W005441 [0,0,1,1,0,0|2,0,0]=4 83 B12R2.1 O=CC1=C2C=CC=CN2C=N1 CS-W022762 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.32 O=CC1=NC2=CC=CC=C2N1 CS-W004873 [1,0,0,0,1,0|2,0,0]=4 85 B12R2.44 COC1=CC=C2NC=CC2=C1 CS-W007328 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CS-D1053 [1,0,0,0,1,0|1,0,0]=3 87 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CS-W008821 [1,0,0,0,1,0|1,0,0]=3 88 B16R2.477 O=C(O)COC1=CC2=CC=CC=C2C=C1 CS-W015512 [0,0,0,0,0,2|1,0,0]=3