0 B19R2.151587 NC1=C(C=C(C=C1Br)Br)/C=N/[C@H]2CC[C@@H](CC2)O MCULE-7996101711 [0,0,0,0,0,0|0,0,2]=2 1 B19R2.151587 NC1=C(C=C(C=C1Br)Br)CNC2CCC(CC2)O MCULE-3885360287 [0,0,0,0,0,0|0,0,0]=0 2 B19R2.151587 NC1=C(C=C(C=C1Br)Br)CNC2CCC(CC2)O MCULE-6783954675 [0,0,0,0,0,0|0,0,0]=0 3 B19R2.151587 NC1=C(C=C(C=C1Br)Br)CNC2CCC(CC2)O MCULE-9924883122 [0,0,0,0,0,0|0,0,0]=0 4 B19R2.151587 NC1=C(C=C(C=C1Br)Br)CN[C@H]2CC[C@H](CC2)O MCULE-8838846218 [0,0,0,0,0,0|0,0,0]=0 5 B19R2.151587 NC1=C(C=C(C=C1C=N[C@H]2CC[C@@H](CC2)O)Br)Br MCULE-5220245064 [0,0,0,0,0,0|0,0,2]=2 6 B19R2.151587 NC1=C(C=C(C=C1C=N[C@H]2CC[C@@H](CC2)O)Br)Br MCULE-9586445918 [0,0,0,0,0,0|0,0,2]=2 7 B19R2.151587 NC1=C(C=C(C=C1CNC2CCC(CC2)O)Br)Br MCULE-8646947189 [0,0,0,0,0,0|0,0,0]=0 8 B19R2.151587 NC1=C(C=C(C=C1CN[C@H]2CC[C@@H](CC2)O)Br)Br MCULE-2115414663 [0,0,0,0,0,0|0,0,0]=0 9 B19R2.151587 NC1=C(C=C(C=C1CN[C@H]2CC[C@@H](CC2)O)Br)Br MCULE-9463281275 [0,0,0,0,0,0|0,0,0]=0 10 B19R2.151587 NC1=C(C=C(C=C1CN[C@H]2CC[C@H](CC2)O)Br)Br MCULE-4501895283 [0,0,0,0,0,0|0,0,0]=0 11 B19R2.151587 OC1=C(C=C(C=C1CN[C@H]2CC[C@@H](CC2)O)Br)Br MCULE-2393800770 [0,0,0,0,0,0|1,0,0]=1 12 B19R2.151587 OC1=C(C=C(C=C1CN[C@H]2CC[C@@H](CC2)O)Br)Br MCULE-9639348105 [0,0,0,0,0,0|1,0,0]=1 13 B18R2.9254 OC1CCC(CC1)NCC2=C(C=CC(=C2)F)F MCULE-6651443197 [1,0,0,0,0,0|1,1,0]=3 14 B17R2.215 CC1=CC(=CC=C1)CNC2CCC(CC2)N MCULE-8633586287 [2,0,0,0,0,0|2,0,0]=4 15 B17R2.215 CC1=CC(=CC=C1)CN[C@H]2CC[C@@H](CC2)N MCULE-6543559974 [2,0,0,0,0,0|2,0,0]=4 16 B17R2.215 CC1=CC(=CC=C1)CN[C@H]2CC[C@@H](CC2)N MCULE-8692617071 [2,0,0,0,0,0|2,0,0]=4 17 B17R2.215 CC1=CC=CC(=C1)CNC2CCC(CC2)N MCULE-3039171933 [2,0,0,0,0,0|2,0,0]=4 18 B17R2.215 CN1CCC(CC1)NCC2=CC(=CC=C2)Br MCULE-9114316904 [2,0,0,0,0,0|2,0,0]=4 19 B17R2.215 NC1CCC(CC1)NCC2=CC(=CC=C2)Br MCULE-6193501972 [2,0,0,0,0,0|1,0,0]=3 20 B17R2.215 NC1CCC(CC1)NCC2=CC(=CC=C2)Cl MCULE-6842949126 [2,0,0,0,0,0|1,1,0]=4 21 B17R2.215 NC1CCC(CC1)NCC2=CC(=CC=C2)F MCULE-1240545541 [2,0,0,0,0,0|1,1,0]=4 22 B17R2.215 NC1CCC(CC1)NCC2=CC=CC(=C2)Br MCULE-7924823282 [2,0,0,0,0,0|1,0,0]=3 23 B17R2.215 NC1CCC(CC1)NCC2=CC=CC(=C2)Cl MCULE-1227711765 [2,0,0,0,0,0|1,1,0]=4 24 B17R2.215 NC1CCC(CC1)NCC2=CC=CC(=C2)Cl MCULE-4405517710 [2,0,0,0,0,0|1,1,0]=4 25 B17R2.215 NC1CCC(CC1)NCC2=CC=CC(=C2)F MCULE-3687554595 [2,0,0,0,0,0|1,1,0]=4 26 B17R2.215 NC1CCC(CC1)NCC2=CC=CC(=C2)F MCULE-6944738285 [2,0,0,0,0,0|1,1,0]=4 27 B17R2.215 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC(=C2)Br MCULE-2562652845 [2,0,0,0,0,0|1,0,0]=3 28 B17R2.215 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC(=C2)Br MCULE-8541208229 [2,0,0,0,0,0|1,0,0]=3 29 B17R2.215 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC(=C2)Cl MCULE-1808929382 [2,0,0,0,0,0|1,1,0]=4 30 B17R2.215 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC(=C2)Cl MCULE-4256066845 [2,0,0,0,0,0|1,1,0]=4 31 B17R2.215 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC(=C2)Cl MCULE-5068166437 [2,0,0,0,0,0|1,1,0]=4 32 B17R2.215 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC(=C2)F MCULE-5166765441 [2,0,0,0,0,0|1,1,0]=4 33 B17R2.215 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC(=C2)F MCULE-8778982095 [2,0,0,0,0,0|1,1,0]=4 34 B17R2.215 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC(=C2)F MCULE-9074905732 [2,0,0,0,0,0|1,1,0]=4 35 B17R2.215 OC1CCN(CC1)CCC2=CC=CC(=C2)Br MCULE-5151019389 [2,0,0,0,0,0|2,0,0]=4 36 B17R2.215 O[C@H]1CC[C@@H](CC1)NCC2=CC=CC(=C2)Cl MCULE-6051845772 [2,0,0,0,0,0|0,1,0]=3 37 B17R2.496 CC1=C(C=CC=C1)CNC2CCC(CC2)N MCULE-3932383152 [2,0,0,0,0,0|2,0,0]=4 38 B17R2.496 CC1=CC=CC=C1CNC2CCC(CC2)N MCULE-5547864583 [2,0,0,0,0,0|2,0,0]=4 39 B17R2.496 CC1=CC=CC=C1CN[C@H]2CC[C@@H](CC2)N MCULE-1911215897 [2,0,0,0,0,0|2,0,0]=4 40 B17R2.496 CC1=CC=CC=C1CN[C@H]2CC[C@@H](CC2)N MCULE-2483292006 [2,0,0,0,0,0|2,0,0]=4 41 B17R2.496 CC1CCC(CC1)NCC2=C(C=CC=C2)O MCULE-2736907490 [2,0,0,0,0,0|2,0,0]=4 42 B17R2.496 NC1CCC(CC1)NCC2=C(C=CC=C2)Br MCULE-1616645463 [2,0,0,0,0,0|2,0,0]=4 43 B17R2.496 NC1CCC(CC1)NCC2=C(C=CC=C2)Cl MCULE-4718169985 [2,0,0,0,0,0|2,0,0]=4 44 B17R2.496 NC1CCC(CC1)NCC2=C(C=CC=C2)F MCULE-1163027773 [2,0,0,0,0,0|2,0,0]=4 45 B17R2.496 NC1CCC(CC1)NCC2=CC=CC=C2Br MCULE-7973066328 [2,0,0,0,0,0|2,0,0]=4 46 B17R2.496 NC1CCC(CC1)NCC2=CC=CC=C2Cl MCULE-1805867732 [2,0,0,0,0,0|2,0,0]=4 47 B17R2.496 NC1CCC(CC1)NCC2=CC=CC=C2Cl MCULE-2488450075 [2,0,0,0,0,0|2,0,0]=4 48 B17R2.496 NC1CCC(CC1)NCC2=CC=CC=C2F MCULE-2447361597 [2,0,0,0,0,0|2,0,0]=4 49 B17R2.496 NC1CCC(CC1)NCC2=CC=CC=C2F MCULE-9409277485 [2,0,0,0,0,0|2,0,0]=4 50 B17R2.496 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC=C2Br MCULE-7314968431 [2,0,0,0,0,0|2,0,0]=4 51 B17R2.496 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC=C2Br MCULE-8231277172 [2,0,0,0,0,0|2,0,0]=4 52 B17R2.496 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC=C2Cl MCULE-4914174378 [2,0,0,0,0,0|2,0,0]=4 53 B17R2.496 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC=C2Cl MCULE-5453177455 [2,0,0,0,0,0|2,0,0]=4 54 B17R2.496 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC=C2F MCULE-5796613144 [2,0,0,0,0,0|2,0,0]=4 55 B17R2.496 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC=C2F MCULE-7451684896 [2,0,0,0,0,0|2,0,0]=4 56 B17R2.496 N[C@H]1CC[C@@H](CC1)NCC2=CC=CC=C2F MCULE-8293431910 [2,0,0,0,0,0|2,0,0]=4 57 B17R2.496 OC1CCC(CC1)NCC2=C(C=CC=C2)Br MCULE-1138645534 [2,0,0,0,0,0|1,0,0]=3 58 B17R2.496 O[C@H]1CC[C@@H](CC1)NCC2=C(C=CC=C2)Cl MCULE-5575259728 [2,0,0,0,0,0|1,0,0]=3 59 B17R2.496 O[C@H]1CC[C@@H](CC1)NCC2=CC=CC=C2F MCULE-1986741672 [2,0,0,0,0,0|1,0,0]=3 60 B17R2.5365 FC1=CC=C(C=C1CNC2CCCCC2)Br MCULE-5778923494 [2,0,0,0,0,0|1,0,0]=3 61 B17R2.5365 FC1=CC=C(C=C1CNC2CCOCC2)Br MCULE-2136675289 [2,0,0,0,0,0|2,0,0]=4 62 B17R2.5365 NC1=CC=C(C=C1OCC2CCCCC2)Br MCULE-8108647623 [2,0,0,0,0,0|2,0,0]=4 63 B17R2.5274 CC1=C(C(=CC=C1)CNC2CCCCC2)F MCULE-4851848882 [2,0,0,0,0,0|2,0,0]=4 64 B17R2.5274 ClC1=C(C(=CC=C1)CNC2CCCCC2)Cl MCULE-1272622425 [2,0,0,0,0,0|1,1,0]=4 65 B17R2.5274 FC1=C(C=CC=C1Br)CNC2CCCCC2 MCULE-5053850013 [2,0,0,0,0,0|1,0,0]=3 66 B19R2.12259 NC1=C(C=C(C=C1)Br)C(=O)N[C@H]2CC[C@@H](CC2)O MCULE-5044629557 [1,1,0,0,0,0|0,0,1]=3 67 B19R2.17377 CN(CC1=CC(=CC(=C1N)Br)Br)C2CCCCC2 MCULE-1869883185 [1,1,0,0,0,0|0,0,0]=2 68 B19R2.17377 CN(CC1=CC(=CC(=C1N)Br)Br)C2CCCCC2 MCULE-9140626069 [1,1,0,0,0,0|0,0,0]=2 69 B19R2.44754 CC1=CC(=CC(=C1)CNC2CCC(CC2)(C)C)Br MCULE-1288939677 [1,1,0,0,0,0|2,0,0]=4 70 B19R2.1290909 CN(C1=CC(=CC(=C1N)Br)Br)C2CCC(CC2)O MCULE-9561701270 [0,1,0,0,1,0|0,0,0]=2 71 B19R2.1290909 CN(C1=CC(=CC(=C1N)Br)Br)C2CCC(CC2)O MCULE-9754776423 [0,1,0,0,1,0|0,0,0]=2 72 B21R3.3760005 OC1CCC(CC1)N2CNC3=C(C2)C=C(C=C3Br)Br MCULE-8714825173 [0,1,0,1,0,0|0,0,0]=2 73 B21R3.3760005 OC1CCC(CC1)N2CNC3=C(C=C(C=C3C2)Br)Br MCULE-2024217282 [0,1,0,1,0,0|0,0,0]=2 74 B21R3.3760005 O[C@H]1CC[C@@H](CC1)N2CNC3=C(C2)C=C(C=C3Br)Br MCULE-2113019649 [0,1,0,1,0,0|0,0,0]=2 75 B21R3.3760005 O[C@H]1CC[C@@H](CC1)N2CNC3=C(C2)C=C(C=C3Br)Br MCULE-9774151460 [0,1,0,1,0,0|0,0,0]=2 76 B17R2.467 NC1=CC=C(C=C1CN2CCC(CC2)O)F MCULE-1089913080 [1,0,0,0,1,0|1,1,0]=4 77 B17R2.467 OC1=CC=C(C=C1CN2CCC(CC2)O)Br MCULE-3057184872 [1,0,0,0,1,0|2,0,0]=4 78 B17R2.467 OC1CCN(CC1)CC2=C(C=CC(=C2)Br)Cl MCULE-2468044941 [1,0,0,0,1,0|2,0,0]=4 79 B17R2.467 OC1CCN(CC1)CC2=CC(=CC=C2F)Br MCULE-9302416465 [1,0,0,0,1,0|2,0,0]=4 80 B17R2.476 NC1=C(C=CC=C1NC2CCC(CC2)O)F MCULE-6222864052 [1,0,0,0,1,0|0,1,0]=3 81 B17R2.476 NC1=C(C=CC=C1N[C@H]2CC[C@@H](CC2)O)F MCULE-7286288123 [1,0,0,0,1,0|0,1,0]=3 82 B17R2.347286 OC1CCN(CC1)CC2=CC(=CC(=C2)Br)F MCULE-8588158115 [1,0,0,0,1,0|1,1,0]=4