0 B15R2.33 BrC1=CC(C2=CC=CC=C2)=C(Br)C=C1 MC446611 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.33 BrC1=CC(C2=CC=CC=C2)=C(I)C=C1 MC446614 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.33 CC1=CN(C2=CC=CC=C2)C(=O)C=C1 CS18350 [0,0,0,0,0,0|0,0,0]=0 3 B14R2.21 BrC1=CC=CC(C2=CC=CC=C2)=C1 MC440338 [1,0,0,0,0,0|2,0,0]=3 4 B14R2.21 BrC1=CC=CC(C2=NC=CC=C2)=C1 CS20850 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.21 BrC1=NC(C2=CC=CC=C2)=CC=C1 MC425718 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.21 BrC1=NC=CC(C2=CC=CC=C2)=C1 CS21366 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.21 CC1=CC(C2=CC=CC=C2)=CC=C1 MC440439 [1,0,0,0,0,0|1,0,0]=2 8 B14R2.21 CC1=CC(C2=CC=CC=C2)=CN=C1 MC425429 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.21 CC1=CC(C2=NC=CC=C2)=CC=C1 CS17337 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.21 ClC1=NC=CC(C2=CC=CC=C2)=C1 CS21454 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.21 IC1=CC=CC(C2=CC=CC=C2)=C1 MC440140 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.21 NC1=CC(C2=CC=CC=C2)=CN=C1 CS18231 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.21 NC1=CC(C2=CC=CC=C2)=NC=C1 CS18164 [1,0,0,0,0,0|3,0,0]=4 14 B14R2.21 NC1=CC(C2=CC=CN=C2)=CC=C1 CS22404 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.21 NC1=CC(C2=NC=CC=C2)=CC=C1 CS20847 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.21 NC1=CC(C2=NC=CC=C2)=CC=C1 MC444610 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.21 NC1=CC=CC(C2=CC=CC=C2)=C1 MC440395 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.21 NC1=CC=CC([N+]2=CC=CC=C2)=C1 CS18080 [1,0,0,0,0,0|3,0,0]=4 19 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 CS18288 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.21 NC1=NC=CC(C2=CC=CC=C2)=C1 CS18394 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.21 OC1=NC=CC(C2=CC=CC=C2)=C1 CS21589 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.24 BrC1=C(C2=CC=CC=C2)C=CC=C1 CS21390 [1,0,0,0,0,0|2,0,0]=3 23 B14R2.24 BrC1=C(C2=CC=CC=C2)C=NC=C1 MC430396 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.24 BrC1=CC=CN=C1C2=CC=CC=C2 CS22141 [1,0,0,0,0,0|3,0,0]=4 25 B14R2.24 BrC1=NC=CC=C1C2=CC=CC=C2 MC432310 [1,0,0,0,0,0|3,0,0]=4 26 B14R2.24 CC1=C(C2=CC=CC=C2)C=NC=C1 MC443169 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.24 CC1=CC=CN=C1C2=CC=CC=C2 MC445619 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.24 IC1=C(C2=CC=CC=C2)C=CC=C1 MC446608 [1,0,0,0,0,0|2,0,0]=3 29 B14R2.24 NC1=C(C2=CC=CC=C2)C=NC=C1 MC430354 [1,0,0,0,0,0|3,0,0]=4 30 B14R2.24 NC1=CC=CC=C1C2=CC=CC=C2 CS16247 [1,0,0,0,0,0|2,0,0]=3 31 B14R2.24 NC1=NC=CC=C1C2=CC=CC=C2 CS18524 [1,0,0,0,0,0|3,0,0]=4 32 B14R2.24 OC1=C(C2=CC=CC=C2)C=CC=C1 MC20471 [1,0,0,0,0,0|1,0,1]=3 33 B14R2.24 OC1=C(C2=CC=CC=C2)C=CN=C1 MC111105 [1,0,0,0,0,0|2,0,1]=4 34 B14R2.24 OC1=CC=CN=C1C2=CC=CC=C2 MC115932 [1,0,0,0,0,0|2,0,1]=4 35 B14R2.24 OC1=NC=CC=C1C2=CC=CC=C2 CS21579 [1,0,0,0,0,0|2,0,1]=4 36 B14R2.24 [O-]C1=CC=CC=C1C2=CC=CC=C2 CS11082 [1,0,0,0,0,0|1,0,1]=3 37 B16R3.2583 BrC1=CC2=C(C=C1)NC3=CC=CC=C32 CS11767 [0,0,0,1,0,0|3,0,0]=4 38 B16R3.2583 BrC1=CC2=C(C=C1)OC3=C2C=CC=C3 MC426169 [0,0,0,1,0,0|2,0,1]=4 39 B16R3.2583 BrC1=CC2=C(C=C1)SC3=C2C=CC=C3 CS21393 [0,0,0,1,0,0|2,1,0]=4 40 B16R3.2583 IC1=CC2=C(C=C1)NC3=CC=CC=C32 MC440402 [0,0,0,1,0,0|3,0,0]=4 41 B16R3.2583 NC1=CC2=C(C=C1)OC3=C2C=CC=C3 MC445708 [0,0,0,1,0,0|2,0,1]=4 42 B16R3.2583 OC1=CC2=C(C=C1)OC3=C2C=CC=C3 MC440128 [0,0,0,1,0,0|2,0,1]=4 43 B14R2.277 O=C1C=CC(=O)N1C2=CC=CC=C2 CS13332 [0,0,0,0,1,0|1,0,0]=2 44 B14R2.277 O=C1N=NC(=O)N1C2=CC=CC=C2 CS20661 [0,0,0,0,1,0|3,0,0]=4 45 B14R2.277 O=C1NNC(=O)N1C2=CC=CC=C2 CS10101 [0,0,0,0,1,0|3,0,0]=4 46 B14R2.598 CC1=CC(=O)N(C2=CC=CC=C2)N1 MC442508 [0,0,0,0,1,0|1,0,0]=2 47 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 MC42028 [0,0,0,0,1,0|3,0,0]=4 48 B13R2.3 C1=CC=C(C2=CC=CC=C2)C=C1 MC440435 [2,0,0,0,0,0|1,0,0]=3 49 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 CS11547 [2,0,0,0,0,0|2,0,0]=4 50 B13R2.3 c1ccc(-c2ccccn2)cc1 MC114970 [2,0,0,0,0,0|2,0,0]=4 51 B13R2.3 c1ccc(-c2ccccn2)cc1 MC445014 [2,0,0,0,0,0|2,0,0]=4 52 B15R1.111 O=C(O)\C=C\C(=O)NC1=CC=C(I)C=C1 MC118912 [0,1,1,0,0,0|2,0,0]=4 53 B15R2.17 BrCC1=CC=CC(C2=CC=CC=C2)=C1 MC440440 [1,1,0,0,0,0|1,0,0]=3 54 B15R2.17 COC1=CC=CC(C2=CC=CN=C2)=C1 MC106648 [1,1,0,0,0,0|2,0,0]=4 55 B15R2.17 O=CC1=CC(C2=CC=CC=C2)=CC=C1 MC425615 [1,1,0,0,0,0|1,0,1]=4 56 B15R2.17 OCC1=CC(C2=CC=CC=C2)=CN=C1 MC425435 [1,1,0,0,0,0|2,0,0]=4 57 B15R2.27 BrC1=CC(Br)=CC(C2=CC=CC=C2)=C1 MC445610 [1,1,0,0,0,0|2,0,0]=4 58 B15R2.28 BrC1=CC=CC(C2=CC=C(I)C=C2)=C1 MC440393 [1,1,0,0,0,0|2,0,0]=4 59 B15R2.28 NC1=CC=CC(C2=CC=C(F)C=C2)=C1 MC433557 [1,1,0,0,0,0|2,0,0]=4 60 B15R2.30 BrC1=CC=CC(C2=CC(Br)=CC=C2)=C1 MC105756 [1,1,0,0,0,0|2,0,0]=4 61 B15R2.30 BrC1=CC=CC(C2=CC(I)=CC=C2)=C1 MC440566 [1,1,0,0,0,0|2,0,0]=4 62 B15R2.30 ClC1=CC=CC(C2=CC(Br)=CC=C2)=C1 MC425781 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.30 ClC1=CC=CC(C2=CC(Cl)=CC=C2)=C1 MC440497 [1,1,0,0,0,0|2,0,0]=4 64 B15R2.332 BrC1=CC=CC(C2=C(Br)C=CC=C2)=C1 MC446609 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.332 ClC1=CC=CC(C2=C(Br)C=CC=C2)=C1 MC446612 [1,1,0,0,0,0|2,0,0]=4 66 B15R2.21 CNC1=CC=CC=C1C2=CC=CC=C2 CS12948 [1,1,0,0,0,0|2,0,0]=4 67 B15R2.21 O=CC1=C(C2=CC=NC=C2)C=CC=C1 MC20203 [1,1,0,0,0,0|2,0,0]=4 68 B15R2.308 BrC1=CC=C(C2=C(Br)C=CC=C2)C=C1 MC446610 [1,1,0,0,0,0|2,0,0]=4 69 B15R2.308 NC1=C(C2=CC=C(Br)C=C2)C=CC=C1 MC111936 [1,1,0,0,0,0|2,0,0]=4 70 B15R2.308 NC1=CC=C(N2C=CC=CC2=O)C=C1 CS12880 [1,1,0,0,0,0|0,0,0]=2 71 B15R2.389 BrC1=CC(Br)=C(C2=CC=CC=C2)C=C1 CS21074 [1,1,0,0,0,0|2,0,0]=4 72 B15R2.389 ClC1=CC(Br)=C(C2=CC=CC=C2)C=C1 MC440144 [1,1,0,0,0,0|2,0,0]=4 73 B15R2.389 FC1=C(C2=CC=CC=C2)C=CC(Br)=C1 CS11765 [1,1,0,0,0,0|2,0,0]=4 74 B15R2.541 BrC1=CC=CC(Br)=C1C2=CC=CC=C2 MC431658 [1,1,0,0,0,0|2,0,0]=4 75 B15R2.555 BrC1=C(C2=C(Br)C=CC=C2)C=CC=C1 CS20967 [1,1,0,0,0,0|2,0,0]=4 76 B15R2.555 BrC1=C(C2=C(I)C=CC=C2)C=CC=C1 MC440562 [1,1,0,0,0,0|2,0,0]=4 77 B15R2.555 FC1=C(C2=C(F)C=CC=C2)C=CC=C1 MC433558 [1,1,0,0,0,0|2,0,0]=4 78 B15R2.323 CC1=CC(=O)N(C2=CC=CC=C2)C1=O MC445597 [0,1,0,0,1,0|1,0,0]=3 79 B15R2.18925 CC1=CC=C(C)N1C2=CC=C(I)C=C2 CS14111 [0,1,0,0,1,0|1,0,0]=3 80 B15R2.18925 CC1=CC=C(C)N1C2=NC=C(Br)C=C2 CS12374 [0,1,0,0,1,0|2,0,0]=4 81 B15R2.18925 CC1=CC=C(C)N1C2=NC=C(I)C=C2 MC115458 [0,1,0,0,1,0|2,0,0]=4 82 B15R2.334 CC1=CC(C)=NN1C2=CC(Br)=CC=C2 MC442552 [0,1,0,0,1,0|2,0,0]=4 83 B15R2.1682 CCC1=NN(C2=CC=CC=C2)C(N)=C1 CS15640 [0,1,0,0,1,0|2,0,0]=4 84 B17R2.5356 CC1=CC(C(=O)C2=CC=CC=C2)=C(N)C=C1 CS14779 [0,1,0,0,0,1|2,0,0]=4 85 B15R2.38 Brc1ccccc1Nc2ccccc2 MC440612 [0,0,1,1,0,0|2,0,0]=4 86 B15R2.29 BrC1=CC=C(NC2=CC=CC=C2)C=C1 CS22680 [0,0,1,1,0,0|2,0,0]=4 87 B15R2.29 CC1=CC=C(OC2=CC=CC=C2)C=C1 CS20766 [0,0,1,1,0,0|2,0,0]=4 88 B15R2.29 Cc1ccc(Nc2ccccc2)cc1 CS11831 [0,0,1,1,0,0|1,0,0]=3 89 B15R2.988 O=C1C=C(C(=O)O)C2=CC=CC=C2N1 CS21604 [0,0,1,1,0,0|2,0,0]=4 90 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)O2 CS10096 [1,0,0,1,0,0|1,0,1]=4 91 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)S2 MC440453 [1,0,0,1,0,0|1,1,0]=4 92 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 MC21057 [1,0,0,1,0,0|2,0,0]=4 93 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=C3 CS16174 [1,0,0,1,0,0|2,0,0]=4 94 B17R3.31713 O=C1C2=CC=CC=C2C3=C1C=CC(Br)=C3 MC440065 [0,1,0,1,0,0|2,0,0]=4 95 B17R3.31627 CC1=CC=C2NC3=C(C=C(C)C=C3)C2=C1 MC445626 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 CS22626 [1,0,0,0,1,0|2,0,0]=4 97 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 MC106504 [1,0,0,0,1,0|1,0,0]=3 98 B13R2.10 IC1=CN(C2=CC=CC=C2)C=N1 MC430810 [1,0,0,0,1,0|2,0,0]=4 99 B13R2.15 IC1=CC=NN1C2=CC=CC=C2 MC431767 [1,0,0,0,1,0|2,0,0]=4 100 B15R2.31 BrC1=CC(OC2=CC=CC=C2)=CC=C1 MC41468 [1,0,0,0,0,1|2,0,0]=4 101 B15R2.31 CC1=CC(OC2=CC=CC=C2)=CC=C1 MC41524 [1,0,0,0,0,1|1,0,0]=3 102 B15R2.31 Cc1cccc(Nc2ccccc2)c1 CS11830 [1,0,0,0,0,1|1,0,0]=3 103 B15R2.31 NC1=CC=CC(NC2=CC=CC=C2)=C1 CS16106 [1,0,0,0,0,1|2,0,0]=4 104 B15R2.31 OC1=CC(CC2=CC=CC=C2)=CC=C1 CS19745 [1,0,0,0,0,1|2,0,0]=4