0 B17R2.2342 CC(C1=CC=CC=C1)CCC2=CC=CC=C2 AK545141 [0,0,0,0,0,0|2,0,1]=3 1 B17R2.2342 C[C@@H](C1=CC=CC=C1)NCC2=CC=CC=C2 AK-41497 [0,0,0,0,0,0|2,0,1]=3 2 B17R2.2342 C[C@@H](NCC1=CC=CC=C1)C2=CC=CC=C2 AK-41673 [0,0,0,0,0,0|2,0,1]=3 3 B17R2.2342 O=C(C1=CC=CC=C1)CCC2=CC=CC=C2 AK-93469 [0,0,0,0,0,0|1,0,0]=1 4 B17R2.2342 O=C(C1=CC=CC=C1)\C=C\C2=CC=CC=C2 AK-93565 [0,0,0,0,0,0|1,0,1]=2 5 B17R2.2342 O=C(N1CCC=CC1)OCC2=CC=CC=C2 AK-88533 [0,0,0,0,0,0|1,0,3]=4 6 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 AK323209 [0,0,0,0,0,0|1,0,0]=1 7 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CN=CC=C2 AK114370 [0,0,0,0,0,0|1,0,0]=1 8 B17R2.2342 OC(C1=CC=CC=C1)COC2=CC=CC=C2 AK318401 [0,0,0,0,0,0|2,0,2]=4 9 B16R2.2256 C1(N\N=C\C2=CC=CC=C2)=CC=CC=C1 AK167459 [1,0,0,0,0,0|2,0,0]=3 10 B16R2.2256 C1(OCCC2=CC=CC=C2)=CC=CC=C1 AK-84443 [1,0,0,0,0,0|2,0,0]=3 11 B18R2.253 C(C1=CC=CC=C1)OC(C2=CC=C(C=C2)I)=O AK-39970 [0,1,0,0,0,0|0,0,0]=1 12 B18R2.253 O=C(C1=CC=C(Cl)C=C1)CCC2=CC=CC=C2 AK178388 [0,1,0,0,0,0|1,0,0]=2 13 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CC=C(C)C=C2 AK155074 [0,1,0,0,0,0|0,0,0]=1 14 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CN=C(N)C=C2 AK131047 [0,1,0,0,0,0|1,0,0]=2 15 B18R2.253 OC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2 AK110595 [0,1,0,0,0,0|1,0,1]=3 16 B18R2.3634 O=C(C1=CC=CC=C1)CC(C2=CC=CC=C2)=O AK-94186 [0,1,0,0,0,0|1,0,1]=3 17 B18R2.3634 O=C(OC(C1=CC=CC=C1)=O)C2=CC=CC=C2 AK114006 [0,1,0,0,0,0|0,0,1]=2 18 B18R2.4001 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2O AK113973 [0,1,0,0,0,0|0,0,0]=1 19 B18R2.32237 O=S(\C=C\C1=CC=CC=C1)(C2=CC=CC=C2)=O AK186532 [0,1,0,0,0,0|2,0,1]=4 20 B18R3.2123 C1(C2=CC=CC=C2)=NC3=CC=CC=C3C=C1 AK307484 [0,0,0,1,0,0|2,0,1]=4 21 B18R3.11551 O=C1CC(C2=CC=CC=C12)C3=CC=CC=C3 AK-60954 [0,0,0,1,0,0|1,0,0]=2 22 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 AK114558 [0,0,0,0,1,0|2,0,0]=3 23 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 AK100106 [0,0,0,0,1,0|1,0,0]=2 24 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 AK-48120 [0,0,0,0,1,0|2,0,0]=3 25 B16R2.2238 O=C(N1CC=CC1)OCC2=CC=CC=C2 AK-49681 [0,0,0,0,1,0|1,0,2]=4 26 B18R2.7189 O[C@@H](C1=CC=CC=C1)CNCC2=CC=CC=C2 AK-43946 [0,0,0,0,0,1|1,0,2]=4 27 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 AK162499 [1,1,0,0,0,0|1,0,1]=4 28 B17R2.143 O=C(CC1=CC=CC=C1)CC2=CC=CC=C2 AK158939 [1,1,0,0,0,0|1,0,1]=4 29 B17R2.143 O=C(NC1=CC=CC=C1)CC2=CC=CC=C2 AK139966 [1,1,0,0,0,0|2,0,0]=4 30 B17R2.192 CC1=CC=C(C(CC2=CC=NC=C2)=O)C=C1 AK-44228 [0,1,0,0,1,0|1,0,0]=3 31 B17R2.192 ClC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2 AK-47978 [0,1,0,0,1,0|0,0,0]=2 32 B17R2.192 O=C(NC1=CC=CC=C1)C2=CC=C(N)C=C2 AK158917 [0,1,0,0,1,0|1,0,0]=3 33 B17R2.209 O=C(C1=CC=CN=C1)CC2=CC=C(C)C=C2 AK388018 [0,1,0,0,1,0|1,0,0]=3 34 B17R2.3417 IC1=CC=CN=C1C(=O)NC2=CC=CC=C2 AK-25069 [0,1,0,0,1,0|2,0,0]=4 35 B17R2.3417 O=C(NC1=CC=CN=C1)C2=CC=CC=C2N AK107764 [0,1,0,0,1,0|2,0,0]=4 36 B17R2.5273 O=C(NC1=CC=CC=C1)C2=CC=NC(Cl)=C2 AK-85854 [0,1,0,0,1,0|2,0,0]=4 37 B17R2.5293 O=C(NC1=CC=CC(N)=C1)C2=CC=CC=C2 AK-47910 [0,1,0,0,1,0|1,0,0]=3 38 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)N AK-34577 [0,1,0,0,1,0|1,0,1]=4 39 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)N AK-40148 [0,1,0,0,1,0|1,0,1]=4 40 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](O)C2=CC=CC=C2 AK-29033 [0,1,0,0,1,0|0,0,2]=4 41 B17R2.10205 N[C@H]([C@H](O)C1=CC=CC=C1)C2=CC=CC=C2 AK-29032 [0,1,0,0,1,0|0,0,2]=4 42 B17R2.10205 ON(C(=O)C1=CC=CC=C1)C2=CC=CC=C2 AK-96012 [0,1,0,0,1,0|1,0,0]=3 43 B19R2.4385 O=C(NC1=CC=CC(O)=C1)\C=C\C2=CC=CC=C2 AK165049 [0,1,0,0,0,1|1,0,1]=4 44 B19R2.4485 O=C(NC1=CC=CC=C1F)\C=C\C2=CC=CC=C2 AK155863 [0,1,0,0,0,1|1,0,1]=4 45 B19R2.11857 O=C(NC1=CC=C(Br)C=C1)CCC2=CC=CC=C2 AK-29136 [0,1,0,0,0,1|1,0,0]=3 46 B19R2.16158 O=C(OCC1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 AK115949 [0,1,0,0,0,1|0,0,0]=2 47 B19R2.79 O=C(C1=CC=CC=C1)\C=C\C2=CC=C(OC)C=C2 AK-48622 [0,2,0,0,0,0|1,0,1]=4 48 B19R2.4108 C(C1=CC=CC=C1)NC(C2=CC(=NC(=C2)Cl)Cl)=O AK-31977 [0,2,0,0,0,0|2,0,0]=4 49 B17R2.262 O=CC1=CC=CC=C1OCC2=CC=CC=C2 AK-84612 [0,0,1,1,0,0|2,0,0]=4 50 B17R2.1819 O=CC1=CC=CC(OCC2=CC=CC=C2)=C1 AK-47934 [0,0,1,1,0,0|2,0,0]=4 51 B17R3.8 C1(C2=CC=CC=C2)=NNC3=C1C=CC=C3 AK-57502 [1,0,0,1,0,0|2,0,0]=4 52 B17R3.8 N1(C2=CC=CC=C2)C=CC3=C1C=CC=C3 AK-45364 [1,0,0,1,0,0|2,0,0]=4 53 B17R3.8708 C1(C2=CC=CC=C2)=NC3=CC=CC=C3N1 AK-50903 [0,0,0,1,1,0|2,0,0]=4 54 B17R3.8708 N1C(=CC2=C1C=CC=C2)C3=CC=CC=C3 AK-29626 [0,0,0,1,1,0|1,0,1]=4 55 B17R3.54615 BrC1=C2C=CC=CC2=C3C=CC=CC3=N1 AK134306 [0,0,0,1,1,0|2,0,0]=4 56 B17R3.54615 BrC1=CC2=CC=CC=C2C3=C1C=CC=C3 AK-87889 [0,0,0,1,1,0|1,0,1]=4 57 B17R3.54615 ClC1=C2C=CC=CC2=C3C=CC=CC3=N1 AK126566 [0,0,0,1,1,0|2,0,0]=4 58 B17R3.54615 O=C1C2=CC=CC=C2C3=C(O1)C=CC=C3 AK155425 [0,0,0,1,1,0|0,0,0]=2 59 B17R3.54615 O=C1NC2=CC=CC=C2C3=C1C=CC=C3 AK-32173 [0,0,0,1,1,0|1,0,0]=3 60 B17R3.54615 O=P1OC2=CC=CC=C2C3=CC=CC=C13 AK-41649 [0,0,0,1,1,0|1,0,0]=3 61 B19R3.294 O=C1NC(C2=CC=CC=C2)C3=C(C=CC=C3)C1 AK-93517 [0,0,0,1,0,1|1,0,0]=3 62 B19R3.294 O=C1OC2=CC=CC=C2C(C3=CC=CC=C3)N1 AK127378 [0,0,0,1,0,1|1,0,0]=3 63 B19R3.17443 [O-]C1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3 AK516980 [0,0,0,1,0,1|1,0,1]=4 64 B19R3.6048 O=C1C(C2=CC=CC=C2)=COC3=C1C=CC=C3 AK114020 [0,1,0,1,0,0|2,0,0]=4 65 B19R3.9171 C1(=CC=CC=C1)C2CC(C3=CC=CC=C3N2)=O AK-24521 [0,1,0,1,0,0|1,0,0]=3 66 B15R2.2195 C1(OCC2=CC=CC=C2)=CC=NC=C1 AK140678 [1,0,0,0,1,0|1,0,0]=3 67 B15R2.2195 C1(SCC2=CC=CC=C2)=CC=CC=C1 AK116684 [1,0,0,0,1,0|0,1,0]=3 68 B15R2.2226 C=C(C1=CC=CC=C1)C2=CC=CC=C2 AK159989 [0,0,0,0,2,0|1,0,0]=3 69 B15R2.2226 CN(C1=CC=CC=C1)C2=CC=CC=C2 AK105383 [0,0,0,0,2,0|2,0,0]=4 70 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 AK-39058 [0,0,0,0,2,0|1,0,0]=3 71 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 AK114362 [0,0,0,0,2,0|1,0,0]=3 72 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 AK-26071 [0,0,0,0,2,0|1,0,1]=4 73 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CN=C2 AK-57171 [0,0,0,0,2,0|1,0,0]=3 74 B15R2.2226 O=C(C1=CC=CC=C1)C2=NC=CC=C2 AK105906 [0,0,0,0,2,0|1,0,0]=3 75 B15R2.2226 O=C(C1=CC=CN=C1)C2=CC=CN=C2 AK-82131 [0,0,0,0,2,0|2,0,0]=4 76 B15R2.2226 O=C(C1=NC=CC=C1)C2=NC=CC=C2 AK-47987 [0,0,0,0,2,0|2,0,0]=4 77 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 AK-47566 [0,0,0,0,2,0|1,0,0]=3 78 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 AK105897 [0,0,0,0,2,0|0,0,2]=4 79 B19R2.16162 C1=C(C=CC(C=CC2=CC=CC=C2)=O)C=CC=C1 AK-47489 [0,0,0,0,0,2|1,0,1]=4 80 B19R2.16162 O=C(NNC1=CC=CC=C1)NNC2=CC=CC=C2 AK-45256 [0,0,0,0,0,2|2,0,0]=4 81 B19R2.16162 O=C(\C=C\C1=CC=CC=C1)\C=C\C2=CC=CC=C2 AK-44582 [0,0,0,0,0,2|1,0,1]=4 82 B19R2.16162 O=C(\C=C\C1=CC=CC=C1)\C=C\C2=CC=CC=C2 AK-77431 [0,0,0,0,0,2|1,0,1]=4