0 B21R3.4977767 O=C(O)CN1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3 MCULE-7870273989 [0,0,0,0,0,0|0,0,0]=0 1 B21R3.4977767 O=C([O-])CN1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3 MCULE-4347339658 [0,0,0,0,0,0|0,0,1]=1 2 B20R3.5148346 C=C(C)CC1=C2C=CC=CC2=CC3=C1C=CC=C3 MCULE-2591057359 [1,0,0,0,0,0|3,0,0]=4 3 B20R3.5148346 C=C(C)CN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2387192464 [1,0,0,0,0,0|3,0,0]=4 4 B20R3.5148346 O=C(Cl)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-3911609252 [1,0,0,0,0,0|2,0,0]=3 5 B20R3.5148346 O=C(O)CC1C2=C(C=CC=C2)OC3=C1C=CC=C3 MCULE-2938739059 [1,0,0,0,0,0|2,0,0]=3 6 B20R3.5148346 O=C(O)CN1C2=C(C=CC=C2)OC3=C1C=CC=C3 MCULE-6997171773 [1,0,0,0,0,0|1,0,0]=2 7 B20R3.5148346 O=C(O)CN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-8002532814 [1,0,0,0,0,0|1,0,0]=2 8 B22R3.82843071 O=C(O)CN1C2=C(C=CC=C2)S(=O)(=O)C3=C1C=CC=C3 MCULE-3088401127 [0,1,0,0,0,0|1,0,0]=2 9 B22R3.99536860 CNC(=O)CN1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3 MCULE-2013318284 [0,1,0,0,0,0|1,0,0]=2 10 B22R3.99536860 NNC(=O)CN1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3 MCULE-4250291253 [0,1,0,0,0,0|1,0,0]=2 11 B22R4.11621371 O=C1C=C2C3=C(C=CC=C3)C(=O)C4=CC=CC(=C24)N1 MCULE-1880596450 [0,0,0,1,0,0|2,0,1]=4 12 B22R4.15043662 O=C(O)C1CC2C3=C(C1C4=C2C=CC=C4)C=CC=C3 MCULE-2715739053 [0,0,0,1,0,0|2,0,1]=4 13 B22R4.64894250 O=C1C2=CC=CC=C2N(C3=C1C=CC=C3)CC4CO4 MCULE-6501563095 [0,0,0,1,0,0|1,0,1]=3 14 B20R3.3482734 O=C(O)C1=C2C=CC=CC2=C(C3=C1C=CC=C3)Br MCULE-7717264367 [0,0,0,0,1,0|2,0,0]=3 15 B20R3.3482734 O=C1C2=CC=CC=C2C(C3=C1C=CC=C3)N(=O)=O MCULE-7069266461 [0,0,0,0,1,0|2,0,1]=4 16 B19R2.7170 O=C(O)CC(C1=CC=CC=C1)C2=C(C=CC=C2)Cl MCULE-8400193245 [1,0,1,0,0,0|2,0,0]=4 17 B19R2.7170 O=C(O)CC(C1=CC=CC=C1)C2=C(C=CC=C2)F MCULE-5592936460 [1,0,1,0,0,0|2,0,0]=4 18 B19R2.7170 O=C(O)CC(C1=CC=CC=C1)C2=C(C=CC=C2)O MCULE-3608870639 [1,0,1,0,0,0|1,0,1]=4 19 B19R2.8688 O=C(Cl)CNC1=CC=CC=C1OC2=CC=CC=C2 MCULE-9395874636 [1,0,1,0,0,0|2,0,0]=4 20 B19R2.8688 O=C(O)CCC1=CC=CC=C1OC2=CC=CC=C2 MCULE-4495844204 [1,0,1,0,0,0|2,0,0]=4 21 B19R2.8688 O=C(O)COC1=C(C=CC=C1)CC2=CC=CC=C2 MCULE-6315951070 [1,0,1,0,0,0|1,0,1]=4 22 B19R2.8688 O=C(O)COC1=C(C=CC=C1)OC2=CC=CC=C2 MCULE-7764957294 [1,0,1,0,0,0|2,0,0]=4 23 B19R3.109688 C=CCC1=C2C=CC=CC2=CC3=C1C=CC=C3 MCULE-7232183081 [2,0,0,0,0,0|2,0,0]=4 24 B19R3.109688 C=CCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-6323002327 [2,0,0,0,0,0|2,0,0]=4 25 B19R3.109688 OCCC1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-1435364743 [2,0,0,0,0,0|1,0,1]=4 26 B19R3.6137085 CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C=O MCULE-1175339581 [2,0,0,0,0,0|2,0,0]=4 27 B19R3.6137085 CCN1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3 MCULE-1993798413 [2,0,0,0,0,0|0,0,1]=3 28 B19R3.6137085 O=C1C2=CC=CC=C2/C(=N/O)/C3=C1C=CC=C3 MCULE-9600278040 [2,0,0,0,0,0|2,0,0]=4 29 B19R3.6137085 O=CC1=C2C=CC=CC2=C(C3=C1C=CC=C3)Cl MCULE-7544653457 [2,0,0,0,0,0|2,0,0]=4 30 B19R3.6137085 OCC1=C2C=CC=CC2=C(C3=C1C=CC=C3)Cl MCULE-8635933519 [2,0,0,0,0,0|2,0,0]=4 31 B21R2.225978 O=C(O)CNC1=CC=C(C=C1C(=O)C2=CC=CC=C2)Br MCULE-3290823730 [0,1,1,0,0,0|0,0,0]=2 32 B21R2.225978 O=C(O)CNC1=CC=C(N=C1C(=O)C2=CC=CC=C2)Cl MCULE-4059242310 [0,1,1,0,0,0|1,0,0]=3 33 B21R3.229422 O=C(O)CC1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-9956820672 [1,1,0,0,0,0|2,0,0]=4 34 B21R3.9759201 NNC(=O)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-6642832515 [1,1,0,0,0,0|2,0,0]=4 35 B23R3.165861636 CCOC(=O)CN1C2=CC=CC=C2C(=O)C3=C1C=CC=C3 MCULE-6260316608 [0,2,0,0,0,0|0,0,0]=2 36 B21R3.7993561 O=C(O)CN1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-7085778427 [0,0,1,1,0,0|1,0,1]=4 37 B21R3.508826 O=C(O)CN1N=C(C2=CC=CC=C12)C3=CC=CC=C3 MCULE-6612983437 [0,0,1,1,0,0|1,0,0]=3 38 B21R4.6619917 O=C1C2=C(C=CC=C2)N3C(=O)OC4=CC=CC1=C34 MCULE-4432975270 [0,0,0,1,1,0|0,0,0]=2 39 B19R2.13527 CC(=O)NC1=CC=CC=C1C(=O)C2=CC=CC=C2 MCULE-5475579724 [0,0,1,0,1,0|1,0,0]=3 40 B19R2.13527 CC(=O)OC1=C(C=CC=C1)C(=O)C2=CC=CC=C2 MCULE-1009186730 [0,0,1,0,1,0|2,0,0]=4 41 B19R3.629728 CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-1585550364 [1,0,0,0,1,0|2,0,0]=4 42 B19R3.629728 CC(=O)N1C2=C(C=CC=C2)NC3=C1C=CC=C3 MCULE-4149131826 [1,0,0,0,1,0|2,0,0]=4 43 B19R3.629728 CC(=O)N1C2=C(C=CC=C2)OC3=C1C=CC=C3 MCULE-6822173151 [1,0,0,0,1,0|2,0,0]=4 44 B19R3.629728 CC(=O)N1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-5244741348 [1,0,0,0,1,0|2,0,0]=4 45 B19R3.629728 NC(=O)N1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-8350374643 [1,0,0,0,1,0|2,0,0]=4 46 B19R3.629728 O=C(Cl)C1=C2C=CC=CC2=CC3=C1C=CC=C3 MCULE-2878439075 [1,0,0,0,1,0|2,0,0]=4 47 B19R3.629728 O=C(Cl)N1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-4614176413 [1,0,0,0,1,0|2,0,0]=4 48 B19R3.629728 O=C(O)C1=C2C=CC=CC2=CC3=C1C=CC=C3 MCULE-3056170168 [1,0,0,0,1,0|1,0,0]=3 49 B19R3.629728 O=C(O)C1=C2C=CC=CC2=NC3=C1C=CC=C3 MCULE-1058799926 [1,0,0,0,1,0|2,0,0]=4 50 B19R3.629728 O=C(O)C1C2=CC=CC=C2CC3=CC=CC=C13 MCULE-3512934018 [1,0,0,0,1,0|1,0,1]=4 51 B19R3.629728 O=C(O)C1C2=CC=CC=C2OC3=C1C=CC=C3 MCULE-1752850349 [1,0,0,0,1,0|2,0,0]=4 52 B19R3.631815 CC(O)CN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9930268097 [1,0,0,0,1,0|1,0,1]=4 53 B19R3.631815 NC(=O)CN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-2507816423 [1,0,0,0,1,0|1,0,0]=3 54 B19R3.631815 O=C(O)C=C1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-3730132567 [1,0,0,0,1,0|1,0,1]=4 55 B19R3.631815 O=C(O)CC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-9181412304 [1,0,0,0,1,0|1,0,0]=3 56 B19R3.631815 O=C(O)CN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7359951977 [1,0,0,0,1,0|0,0,0]=2 57 B21R2.111519 CC(=O)COC1=C(C=CC=C1)OC(=O)C2=CC=CC=C2 MCULE-9243667083 [0,0,1,0,0,1|2,0,0]=4 58 B21R2.111519 O=C(O)CCC1=CC=CC=C1OC(=O)C2=CC=CC=C2 MCULE-9117027906 [0,0,1,0,0,1|1,0,0]=3 59 B21R3.7877738 O=C(O)C#CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-9474851453 [1,0,0,0,0,1|1,0,1]=4 60 B21R3.7877738 O=C(O)C=CC1=C2C=CC=CC2=CC3=C1C=CC=C3 MCULE-5236526557 [1,0,0,0,0,1|1,0,1]=4 61 B21R3.7877738 O=C(O)CCC1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-6469261052 [1,0,0,0,0,1|1,0,0]=3 62 B21R3.7877738 O=C(O)CCC1=C2C=CC=CC2=NC3=C1C=CC=C3 MCULE-8050598620 [1,0,0,0,0,1|2,0,0]=4 63 B21R3.7877738 O=C(O)CCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-5383919490 [1,0,0,0,0,1|1,0,0]=3 64 B21R3.7877738 O=C(O)CCN1C2=CC=CC=C2OC3=C1C=CC=C3 MCULE-4151482205 [1,0,0,0,0,1|1,0,0]=3 65 B21R3.7877738 O=C(O)CNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-2970726888 [1,0,0,0,0,1|2,0,0]=4 66 B21R3.7877738 O=C(O)CSC1=C2C=CC=CC2=CC3=C1C=CC=C3 MCULE-8884420131 [1,0,0,0,0,1|1,0,0]=3 67 B21R3.6855163 NC(=O)N1C2=C(C=CC=C2)C=C(C3=C1C=CC=C3)Br MCULE-6414424557 [0,0,0,0,1,1|2,0,0]=4 68 B21R3.6855163 NC(=O)N1C2=CC=CC=C2CC(=O)C3=C1C=CC=C3 MCULE-9100100302 [0,0,0,0,1,1|1,0,0]=3