0 B15R2.33 NC1=C(C2=CC=CC=C2)C=C(Cl)C=C1 32097 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.33 NC1=CC=C(Br)N=C1C2=CC=CC=C2 9811 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.33 NC1=NC(C2=CC=CC=C2)=C(N)C=C1 9810 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.33 OC1=CC=C(O)C(C2=CC=CC=C2)=C1 26532 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.21 BrC1=CC(C2=CC=CC=C2)=NC=C1 22116 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.21 BrC1=CC=CC(C2=CC=CC=C2)=C1 8880 [1,0,0,0,0,0|2,0,0]=3 6 B14R2.21 BrC1=CC=CC(C2=NC=CC=C2)=C1 28920 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.21 BrC1=NC(C2=CC=CC=C2)=CC=C1 17431 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.21 BrC1=NC=CC(C2=CC=CC=C2)=C1 35644 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.21 CC1=CC(C2=CC=CC=C2)=NC=C1 13087 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.21 CC1=CC=CC(C2=CC=CC=C2)=C1 1913 [1,0,0,0,0,0|1,0,0]=2 11 B14R2.21 CC1=NC(C2=CC=CC=C2)=CC=C1 26092 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.21 ClC1=CC(C2=CC=CC=C2)=NC=C1 32374 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.21 IC1=CC=CC(C2=CC=CC=C2)=C1 23982 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.21 NC1=CC=CC(C2=CC=CC=C2)=C1 12471 [1,0,0,0,0,0|2,0,0]=3 15 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 19484 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.21 NC1=NC=CC(C2=CC=CC=C2)=C1 14875 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.24 BrC1=C(C2=CC=CC=C2)C=CC=C1 8879 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.24 CC1=C(C2=CC=CC=C2)C=CC=C1 8883 [1,0,0,0,0,0|2,0,0]=3 19 B14R2.24 CC1=C(C2=CC=CC=C2)C=NC=C1 20213 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.24 CC1=CC=CN=C1C2=CC=CC=C2 13086 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.24 FC1=C(C2=CC=CC=C2)C=CC=C1 8877 [1,0,0,0,0,0|2,0,0]=3 22 B14R2.24 NC1=C(C2=CC=CC=C2)C=CC=C1 8906 [1,0,0,0,0,0|2,0,0]=3 23 B14R2.24 NC1=C(C2=CC=CC=C2)C=CN=C1 9600 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.24 NC1=C(C2=NC=CC=C2)C=CC=C1 14172 [1,0,0,0,0,0|3,0,0]=4 25 B14R2.24 NC1=CC=CN=C1C2=CC=CC=C2 9598 [1,0,0,0,0,0|3,0,0]=4 26 B14R2.24 NC1=NC=CC=C1C2=CC=CC=C2 17110 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.24 OC1=C(C2=CC=CC=C2)C=CC=C1 8909 [1,0,0,0,0,0|1,0,1]=3 28 B14R2.24 OC1=NC=CC=C1C2=CC=CC=C2 33737 [1,0,0,0,0,0|2,0,1]=4 29 B14R2.24 SC1=C(C2=CC=CC=C2)C=CC=C1 16420 [1,0,0,0,0,0|1,1,0]=3 30 B16R3.2583 BrC1=CC2=C(C=C1)NC3=CC=CC=C32 9950 [0,0,0,1,0,0|3,0,0]=4 31 B16R3.2583 BrC1=CC2=C(C=C1)OC3=C2C=CC=C3 35301 [0,0,0,1,0,0|2,0,1]=4 32 B16R3.2583 FC1=CC2=C(C=C1)NC3=CC=CC=C32 24317 [0,0,0,1,0,0|3,0,0]=4 33 B14R2.277 O=C1C=CC(=O)N1C2=CC=CC=C2 16335 [0,0,0,0,1,0|1,0,0]=2 34 B14R2.277 O=C1N=NC(=O)N1C2=CC=CC=C2 25950 [0,0,0,0,1,0|3,0,0]=4 35 B14R2.277 O=C1NNC(=O)N1C2=CC=CC=C2 25958 [0,0,0,0,1,0|3,0,0]=4 36 B14R2.598 CC1=CC(=O)N(C2=CC=CC=C2)N1 27803 [0,0,0,0,1,0|1,0,0]=2 37 B14R2.598 CC1=NN(C2=CC=CC=C2)C(=O)C1 13301 [0,0,0,0,1,0|1,0,1]=3 38 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 26369 [0,0,0,0,1,0|3,0,0]=4 39 B16R2.317 NC1=C(CC2=CC=CC=C2)C=C(Br)C=C1 14552 [0,0,0,0,0,1|3,0,0]=4 40 B16R2.317 NC1=CC=C(Cl)C=C1NC2=CC=CC=C2 27175 [0,0,0,0,0,1|3,0,0]=4 41 B16R2.317 OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 15819 [0,0,0,0,0,1|2,0,1]=4 42 B13R2.3 C1=CC=C(C2=CC=CN=C2)C=C1 9110 [2,0,0,0,0,0|2,0,0]=4 43 B13R2.3 C1=CC=C(C2=CC=NC=C2)C=C1 3156 [2,0,0,0,0,0|2,0,0]=4 44 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 13085 [2,0,0,0,0,0|2,0,0]=4 45 B13R2.3 C1=CC=C([N+]2=CC=CC=C2)C=C1 32069 [2,0,0,0,0,0|0,0,1]=3 46 B13R2.3 C1=CC=[N+](C2=CC=NC=C2)C=C1 15356 [2,0,0,0,0,0|1,0,1]=4 47 B15R2.17 BrCC1=CC=CC(C2=CC=CC=C2)=C1 1897 [1,1,0,0,0,0|1,0,0]=3 48 B15R2.17 COC1=CC=CC(C2=CC=CN=C2)=C1 13983 [1,1,0,0,0,0|2,0,0]=4 49 B15R2.27 BrC1=CC(Br)=CC(C2=CC=CC=C2)=C1 35915 [1,1,0,0,0,0|2,0,0]=4 50 B15R2.28 BrC1=CC=C(C2=CC(Br)=CC=C2)C=C1 29677 [1,1,0,0,0,0|2,0,0]=4 51 B15R2.28 CC1=CC(C2=CC=C(N)C=N2)=CC=C1 9338 [1,1,0,0,0,0|2,0,0]=4 52 B15R2.28 ClC1=CC=C(C2=CC(Br)=CC=C2)C=C1 29681 [1,1,0,0,0,0|2,0,0]=4 53 B15R2.28 ClC1=CC=CC(C2=CC=C(Br)C=C2)=C1 29679 [1,1,0,0,0,0|2,0,0]=4 54 B15R2.28 NC1=CC=CC(C2=CC=C(F)C=C2)=C1 28498 [1,1,0,0,0,0|2,0,0]=4 55 B15R2.30 Brc1cccc(-c2cccc(Br)c2)c1 29670 [1,1,0,0,0,0|2,0,0]=4 56 B15R2.30 CC1=CC(C2=CC=CC(F)=N2)=CC=C1 20376 [1,1,0,0,0,0|2,0,0]=4 57 B15R2.30 CC1=CC=CC(C2=CC(C)=CC=C2)=C1 3146 [1,1,0,0,0,0|1,0,0]=3 58 B15R2.30 ClC1=CC=CC(C2=CC(Br)=CC=C2)=C1 29680 [1,1,0,0,0,0|2,0,0]=4 59 B15R2.21 CNC1=C(C2=CC=CC=C2)C=CC=C1 32334 [1,1,0,0,0,0|2,0,0]=4 60 B15R2.21 N#CC1=C(C2=CC=CC=C2)C=CC=C1 12514 [1,1,0,0,0,0|2,0,0]=4 61 B15R2.21 O=CC1=C(C2=CC=CN=C2)C=CC=C1 22510 [1,1,0,0,0,0|2,0,0]=4 62 B15R2.21 O=CC1=C(C2=CC=NC=C2)C=CC=C1 4084 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.21 OCC1=CC=CC=C1C2=CC=CC=C2 16259 [1,1,0,0,0,0|1,0,1]=4 64 B15R2.308 CC1=C(C2=CC=C(N)C=C2)C=CC=C1 24588 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.308 NC1=C(C2=CC=C(Cl)C=C2)C=CC=C1 25881 [1,1,0,0,0,0|2,0,0]=4 66 B15R2.389 BrC1=CC(Br)=C(C2=CC=CC=C2)C=C1 28499 [1,1,0,0,0,0|2,0,0]=4 67 B15R2.389 FC1=C(C2=CC=CC=C2)C=CC(Br)=C1 2652 [1,1,0,0,0,0|2,0,0]=4 68 B15R2.389 FC1=CC(F)=C(C2=CC=CC=C2)C=C1 8914 [1,1,0,0,0,0|2,0,0]=4 69 B15R2.555 Brc1ccccc1-c2ccccc2Br 26183 [1,1,0,0,0,0|2,0,0]=4 70 B15R2.555 FC1=C(C2=C(F)C=CC=C2)C=CC=C1 28500 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.7148 O=C1C=CC(=O)N1C2=CC(Br)=CC=C2 31848 [0,1,0,0,1,0|1,0,0]=3 72 B15R2.7458 O=C1C=CC(=O)N1C2=C(Br)C=CC=C2 31849 [0,1,0,0,1,0|1,0,0]=3 73 B15R2.334 CC1=CC(C)=NN1C2=CC(Br)=CC=C2 33516 [0,1,0,0,1,0|2,0,0]=4 74 B17R2.5356 CC1=CC(C(=O)C2=CC=CC=C2)=C(N)C=C1 26325 [0,1,0,0,0,1|2,0,0]=4 75 B15R2.38 BrC1=C(NC2=CC=CC=C2)C=CC=C1 35069 [0,0,1,1,0,0|2,0,0]=4 76 B15R2.38 CC1=C(SC2=CC=CC=C2)C=CC=C1 10688 [0,0,1,1,0,0|2,0,0]=4 77 B15R2.38 ClC1=C(NC2=CC=CC=C2)C=CC=C1 31024 [0,0,1,1,0,0|2,0,0]=4 78 B15R2.38 NC1=C(NC2=CC=CC=C2)C=CC=C1 12860 [0,0,1,1,0,0|2,0,0]=4 79 B15R2.29 CC1=CC=C(SC2=CC=CC=C2)C=C1 8649 [0,0,1,1,0,0|2,0,0]=4 80 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)O2 7058 [1,0,0,1,0,0|1,0,1]=4 81 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)S2 7382 [1,0,0,1,0,0|1,1,0]=4 82 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 28994 [1,0,0,1,0,0|2,0,0]=4 83 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=C3 9944 [1,0,0,1,0,0|2,0,0]=4 84 B17R3.31713 O=C1C2=CC=CC=C2C3=C1C=CC(Br)=C3 35655 [0,1,0,1,0,0|2,0,0]=4 85 B17R3.31627 CC1=CC2=C(C=C1)SC3=C2C=C(C)C=C3 12532 [0,1,0,1,0,0|1,1,0]=4 86 B13R1.348 CC(=O)\C=C(/C)NC1=CC=CC=C1 12811 [0,0,1,0,1,0|2,0,0]=4 87 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 13291 [1,0,0,0,1,0|2,0,0]=4 88 B13R2.10 CC1=CN(C2=CC=CC=C2)N=C1 13268 [1,0,0,0,1,0|1,0,0]=3 89 B13R2.10 ClC1=CN(C2=CC=CC=C2)N=C1 13288 [1,0,0,0,1,0|2,0,0]=4 90 B13R2.10 IC1=CN(C2=CC=CC=C2)N=C1 13298 [1,0,0,0,1,0|2,0,0]=4 91 B13R2.10 NC1=CN(C2=CC=CC=C2)C=N1 23644 [1,0,0,0,1,0|2,0,0]=4 92 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 22709 [1,0,0,0,1,0|2,0,0]=4 93 B15R2.31 Brc1cccc(Oc2ccccc2)c1 31139 [1,0,0,0,0,1|2,0,0]=4 94 B15R2.31 CC1=CC(OC2=CC=CC=C2)=CC=C1 19086 [1,0,0,0,0,1|1,0,0]=3 95 B15R2.31 NC1=CC(OC2=CC=CC=C2)=CC=C1 31019 [1,0,0,0,0,1|2,0,0]=4 96 B15R2.31 OC1=CC(NC2=CC=CC=C2)=CC=C1 2062 [1,0,0,0,0,1|2,0,0]=4 97 B15R2.7124 ClC1=CC=CC(C2=CC=CC=CN2)=C1 16413 [1,0,0,0,0,1|2,0,0]=4