0 B17R2.1933 CC1=C(C=C(C(=N1)Cl)C#N)C2=CC=CC=C2 MCULE-6293654452 [0,0,0,0,0,0|2,0,1]=3 1 B17R2.1933 CC1=C(C=C(C(=N1)Cl)C#N)C2=CC=NC=C2 MCULE-8138666152 [0,0,0,0,0,0|1,0,1]=2 2 B17R2.1933 CC1=C(C=C(C(=O)N1)C#N)C2=CC=CC=C2 MCULE-4984502294 [0,0,0,0,0,0|1,0,0]=1 3 B17R2.1933 CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2 MCULE-8377851655 [0,0,0,0,0,0|0,0,0]=0 4 B17R2.1933 N#CC1=C(N=C(C(=C1)C2=CC=CC=C2)Cl)Cl MCULE-2898207474 [0,0,0,0,0,0|3,0,1]=4 5 B17R2.1933 N#CC1=C(N=C(C(=C1)C2=CC=CC=C2)O)O MCULE-5901882730 [0,0,0,0,0,0|2,0,2]=4 6 B17R2.1933 N#CC1=CC(=C(N=C1O)N)C2=CC=CC=C2 MCULE-5531714263 [0,0,0,0,0,0|2,0,2]=4 7 B17R2.1933 N#CC1=CN(C(=O)NC1=O)C2=CC=CC=C2 MCULE-6942848602 [0,0,0,0,0,0|3,0,0]=3 8 B17R2.1933 N#CC1=CN(C(=O)NC1=O)C2=CC=CN=C2 MCULE-8930347368 [0,0,0,0,0,0|4,0,0]=4 9 B17R2.1933 N#CC1=NN(C(=O)NC1=O)C2=CC=CC=C2 MCULE-7302817894 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.27 N#CC1=CC(=C(C=C1)F)C2=CC=NC=C2 MCULE-9844459645 [1,0,0,0,0,0|2,0,0]=3 11 B16R2.27 N#CC1=CC=C(C(=C1)C2=CC=CC=C2)F MCULE-1067903179 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.27 N#CC1=CC=C(C(=C1)C2=CC=CC=C2)O MCULE-3848628101 [1,0,0,0,0,0|3,0,0]=4 13 B16R2.309 CC1=C(C=C(C(=O)N1)N)C2=CC=CC=C2 MCULE-7509904085 [1,0,0,0,0,0|1,0,1]=3 14 B16R2.309 CC1=CC(=C(C=C1C2=CC=NC=C2)F)Br MCULE-8378699534 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.2321 N#CC1=C(C=CC(=C1)C2=CC=CC=C2)N MCULE-3453388438 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.2321 N#CC1=C(N=CC(=C1)C2=CC=NC=C2)Cl MCULE-1037399971 [1,0,0,0,0,0|1,0,1]=3 17 B16R2.2321 N#CC1=CC(=CC=C1N)C2=CC=NC=C2 MCULE-5397286510 [1,0,0,0,0,0|2,0,0]=3 18 B16R2.2321 N#CC1=CC(=CN=C1Cl)C2=CC=CC=C2 MCULE-1698975037 [1,0,0,0,0,0|2,0,1]=4 19 B16R2.2321 N#CC1=CC(=CN=C1O)C2=CC=CC=C2 MCULE-1752130450 [1,0,0,0,0,0|1,0,2]=4 20 B16R2.2321 N#CC1=CC(=CNC1=O)C2=CC=NC=C2 MCULE-1980235207 [1,0,0,0,0,0|0,0,0]=1 21 B16R2.2321 O=CC1=CC(=CNC1=O)C2=CC=CC=C2 MCULE-4155807351 [1,0,0,0,0,0|2,0,1]=4 22 B18R2.207 CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C#N MCULE-6593340506 [0,1,0,0,0,0|3,0,0]=4 23 B18R2.1627 N#CC1=CN(C(=O)NC1=O)C2=CC=C(C=C2)Cl MCULE-5316459180 [0,1,0,0,0,0|3,0,0]=4 24 B18R2.6531 CC1=C(C=C(C(=O)N1)C(=O)N)C2=CC=CC=C2 MCULE-5466217015 [0,1,0,0,0,0|1,0,2]=4 25 B18R2.6531 CC1=C(C=C(C(=O)N1)C(=O)N)C2=CC=NC=C2 MCULE-9679555016 [0,1,0,0,0,0|0,0,2]=3 26 B18R2.6531 CC1=C(C=C(C(=O)N1)C(=O)O)C2=CC=CC=C2 MCULE-1908126058 [0,1,0,0,0,0|2,0,1]=4 27 B18R2.28032 CC1=C(C(=C(C(=O)N1)C2=CC=CC=C2)O)C#N MCULE-8936124876 [0,1,0,0,0,0|3,0,0]=4 28 B18R2.28032 CC1=C(C(=O)NC(=O)N1C2=CC=CC=C2)C#N MCULE-8389480044 [0,1,0,0,0,0|3,0,0]=4 29 B18R2.119552 CC1=C(C=CC=C1)N2C=C(C(=O)NC2=O)C#N MCULE-5908664812 [0,1,0,0,0,0|3,0,0]=4 30 B18R2.119552 N#CC1=CN(C(=O)NC1=O)C2=C(C=CC=C2)Cl MCULE-6290290362 [0,1,0,0,0,0|3,0,0]=4 31 B16R1.740 CCOC(=O)C(=CNC1=CC=NC=C1)C#N MCULE-3275185459 [0,0,1,0,0,0|2,0,1]=4 32 B16R2.10936 CC1=C(C(=C(O1)N)C#N)C2=CC=CC=C2 MCULE-8958328361 [0,0,0,0,1,0|3,0,0]=4 33 B16R2.10936 CC1=C(C(=C(S1)N)C#N)C2=CC=CC=C2 MCULE-9192676375 [0,0,0,0,1,0|3,0,0]=4 34 B18R2.1623 N#CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2 MCULE-8003918131 [0,0,0,0,0,1|3,0,0]=4 35 B18R2.1623 N#CC1=CN(C(=O)NC1=O)CC2=CC=NC=C2 MCULE-6668771428 [0,0,0,0,0,1|2,0,0]=3 36 B15R2.17 N#CC1=CC(=NC=C1)C2=CC=NC=C2 MCULE-5275839183 [2,0,0,0,0,0|2,0,0]=4 37 B15R2.17 N#CC1=CC=CC(=C1)C2=CC=CC=C2 MCULE-2712497928 [2,0,0,0,0,0|2,0,0]=4 38 B15R2.17 N#CC1=CC=CC(=C1)C2=CC=NC=C2 MCULE-3251783140 [2,0,0,0,0,0|1,0,0]=3 39 B15R2.17 N#CC1=CN=CC(=C1)C2=CC=CC=C2 MCULE-3736386526 [2,0,0,0,0,0|1,0,1]=4 40 B15R2.94 NC1=CC(=CNC1=O)C2=CC=NC=C2 MCULE-2781267039 [2,0,0,0,0,0|0,0,1]=3 41 B15R2.389 CC1=C(C=CC(=C1)N)C2=CC=NC=C2 MCULE-9466617839 [2,0,0,0,0,0|2,0,0]=4 42 B15R2.389 O=C1C=CN(C(=O)N1)C2=CC=NC=C2 MCULE-6650355139 [2,0,0,0,0,0|2,0,0]=4 43 B15R2.389 O=C1NC=C(C(=O)N1)C2=CC=NC=C2 MCULE-2554640967 [2,0,0,0,0,0|2,0,0]=4 44 B17R2.2808 COC1=C(C=C(C=C1)C#N)C2=CC=NC=C2 MCULE-9602090714 [1,1,0,0,0,0|1,0,0]=3 45 B17R2.18 N#CC1=CC(=CNC1=O)C2=CC=C(C=C2)Cl MCULE-4242738019 [1,1,0,0,0,0|1,0,0]=3 46 B17R2.206 O=C(O)C1=CC(=CNC1=O)C2=CC=NC=C2 MCULE-4330133178 [1,1,0,0,0,0|1,0,1]=4 47 B17R2.2491 N#CC1=CC(=CNC1=O)C2=CC(=CC=C2)Cl MCULE-7378314044 [1,1,0,0,0,0|1,0,0]=3 48 B17R2.1934 CC1=NC(=CS1)C2=C(NC(=O)C(=C2)C#N)C MCULE-9532602776 [0,1,0,0,1,0|2,0,0]=4 49 B19R2.42965 CC1=C(C(=C(C(=O)N1)C#N)C)CC2=CC=CC=C2 MCULE-3176720864 [0,1,0,0,0,1|1,0,0]=3 50 B19R2.56538 COC1=CC=C(C=C1)C2=C(NC(=S)C(=C2)C#N)C MCULE-7277175151 [0,2,0,0,0,0|1,1,0]=4 51 B17R2.289 N#CC(=CC1=CNC2=C1C=CC=C2)C(=O)N MCULE-1937540924 [0,0,1,1,0,0|2,0,0]=4 52 B15R1.640 CCOC(=O)/C(=C/C1=CC=NC=C1)/C#N MCULE-7794383817 [0,0,1,0,1,0|1,0,1]=4 53 B15R1.640 CCOC(=O)C(=CC1=CC=NC=C1)C#N MCULE-8772024933 [0,0,1,0,1,0|1,0,1]=4 54 B15R2.2248 N#CC1=C(NC(=C1)C2=CC=CC=C2)Cl MCULE-4572502244 [1,0,0,0,1,0|2,0,0]=4 55 B15R2.2349 N#CC1=C(NC=C1C2=CC=CC=C2)N MCULE-2725073639 [1,0,0,0,1,0|2,0,0]=4 56 B17R2.17866 CC1=CC(=C(C(=O)N1)C#N)C2=CC=CC=C2 MCULE-1567304651 [0,0,0,0,1,1|1,0,0]=3 57 B17R2.17866 CC1=CC(=C(C(=S)N1)C#N)C2=CC=CC=C2 MCULE-8045595590 [0,0,0,0,1,1|1,1,0]=4 58 B17R2.17866 N#CC1=C(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-5666906169 [0,0,0,0,1,1|2,0,0]=4