0 B18R3.89304 BrC1=C2C=CC3=C(C=CN=C3C2=NC=C1)Br MCULE-6476602633 [0,0,0,0,0,0|2,0,0]=2 1 B18R3.89304 BrC1=CC=CC2=C1C=CC3=C(C=CC=C23)Br MCULE-8132836199 [0,0,0,0,0,0|4,0,0]=4 2 B18R3.89304 CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C MCULE-9044703444 [0,0,0,0,0,0|0,0,0]=0 3 B18R3.89304 ClC1=C2C=CC3=C(C=CN=C3C2=NC=C1)Cl MCULE-6737649209 [0,0,0,0,0,0|2,0,0]=2 4 B18R3.89304 OC1=CC=NC2=C1C=CC3=C2N=CC=C3O MCULE-4873729636 [0,0,0,0,0,0|2,0,0]=2 5 B18R3.89304 OC1=CC=NC2=C1C=CC3=C2N=CC=C3O MCULE-7566362799 [0,0,0,0,0,0|2,0,0]=2 6 B17R3.4465 BrC1=C2C=CC3=CC=CN=C3C2=NC=C1 MCULE-9873879740 [1,0,0,0,0,0|1,0,0]=2 7 B17R3.4465 BrC1=CC=CC2=C1C=CC3=C2C=CC=C3 MCULE-8383134278 [1,0,0,0,0,0|3,0,0]=4 8 B17R3.4465 CC1=C2C=CC3=CC=CC=C3C2=CC=C1 MCULE-6961609338 [1,0,0,0,0,0|2,0,0]=3 9 B17R3.4465 CC1=C2C=CC3=CC=CC=C3C2=NC=C1 MCULE-6117358308 [1,0,0,0,0,0|1,0,0]=2 10 B17R3.4465 CC1=CC=NC2=C3N=CC=CC3=CC=C12 MCULE-4398278647 [1,0,0,0,0,0|0,0,0]=1 11 B17R3.4465 ClC1=C2C=CC3=CC=CN=C3C2=NC=C1 MCULE-5752580590 [1,0,0,0,0,0|1,0,0]=2 12 B17R3.4465 ClC1=CC=CC2=C1C=CC3=C2N=CC=C3 MCULE-4027837945 [1,0,0,0,0,0|2,0,0]=3 13 B17R3.4465 ClC1=NC=NC2=C3C=CC=CC3=CC=C12 MCULE-1407958170 [1,0,0,0,0,0|3,0,0]=4 14 B17R3.4465 OC1=C2C=CC3=CC=CN=C3C2=NC=C1 MCULE-8037918835 [1,0,0,0,0,0|1,0,0]=2 15 B17R3.4465 OC1=CC=CC2=C1C=CC3=C2C=CC=C3 MCULE-4737389126 [1,0,0,0,0,0|3,0,0]=4 16 B19R3.152680 CC1=CC2=C(C=CN=C2C3=NC=CC(=C13)Cl)Cl MCULE-6005141830 [0,1,0,0,0,0|2,0,0]=3 17 B19R3.3012429 CC1=CC(=O)OC2=C1C=CC3=C2C=CC=C3O MCULE-2691662001 [0,1,0,0,0,0|3,0,0]=4 18 B17R2.3393 CC1=C(C(=NC=C1)C2=NC=CC(=C2C)C)C MCULE-6885055047 [0,0,1,0,0,0|0,0,2]=3 19 B17R2.5121 CC1=C(C=CC=C1)C=CC2=CC=CC=C2Cl MCULE-7452109305 [0,0,1,0,0,0|3,0,0]=4 20 B17R3.51120 CC1=CC=CC2=C1NC3=C2C=CC=C3C MCULE-4261126393 [0,0,0,0,1,0|3,0,0]=4 21 B17R3.51120 CC1=CC=CC2=C1SC3=C2C=CC=C3C MCULE-4183576626 [0,0,0,0,1,0|3,0,0]=4 22 B16R2.2921 CC1=CC(=CC=C1)C2=NC=CC(=C2C)C MCULE-8353545596 [1,0,1,0,0,0|1,0,1]=4 23 B16R2.2921 CC1=CC(=NC=C1)C2=NC=CC(=C2O)C MCULE-7378654123 [1,0,1,0,0,0|1,0,0]=3 24 B16R2.71 CC1=CC=CC=C1C=CC2=CC=CC=C2 MCULE-4344285687 [1,0,1,0,0,0|2,0,0]=4 25 B16R3.9 C1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2 MCULE-8033936622 [2,0,0,0,0,0|2,0,0]=4 26 B16R3.9 C1=CC2=C(C=C1)C3=C(C=CC=N3)C=C2 MCULE-4284958993 [2,0,0,0,0,0|1,0,0]=3 27 B16R3.9 C1=CC2=C(N=C1)C3=C(C=C2)N=CC=C3 MCULE-1793054584 [2,0,0,0,0,0|2,0,0]=4 28 B16R3.9 C1=CC2=C(N=C1)C3=C(C=CC=N3)C=C2 MCULE-2911225521 [2,0,0,0,0,0|0,0,0]=2 29 B16R3.9 C1=CC2=CC=C3C=CC=NC3=C2N=C1 MCULE-8649262969 [2,0,0,0,0,0|0,0,0]=2 30 B16R3.9 C1=CC2=NN=C3C=CC=NC3=C2N=C1 MCULE-6592002982 [2,0,0,0,0,0|2,0,0]=4 31 B16R3.9 C1=CNC2=C3NC=CC=C3C=CC2=C1 MCULE-7394559485 [2,0,0,0,0,0|0,0,2]=4 32 B16R3.9 [NH+]1=CC=CC2=CC=C3C=CC=NC3=C21 MCULE-8846609716 [2,0,0,0,0,0|0,0,1]=3 33 B18R3.9713 O=CC1=C2C=CC3=CC=CN=C3C2=NC=C1 MCULE-8715990967 [1,1,0,0,0,0|0,0,1]=3 34 B18R3.108725 CC1=CC(=C2C=CC3=C(C2=N1)C=CC=C3)C MCULE-5940232158 [1,1,0,0,0,0|1,0,0]=3 35 B18R3.108725 CC1=CC(=C2C=CC3=C(C2=N1)C=CC=C3)C MCULE-7103735909 [1,1,0,0,0,0|1,0,0]=3 36 B18R3.108725 CC1=CC(=O)OC2=C1C=CC3=CC=CC=C23 MCULE-1628611391 [1,1,0,0,0,0|2,0,0]=4 37 B18R3.108725 CC1=NC2=C(C=CC3=C2C=CC=C3)C(=C1)O MCULE-7535550881 [1,1,0,0,0,0|2,0,0]=4 38 B18R3.108725 CC1=NC2=C3C=CC=CC3=CC=C2C(=C1)Cl MCULE-8298725852 [1,1,0,0,0,0|2,0,0]=4 39 B18R3.415488 CC1=CC2=C(C=C1)C=CC3=C2C=CC=C3C MCULE-9680453850 [1,1,0,0,0,0|2,0,0]=4 40 B18R3.89751 CC1=CC=CC2=C1C(=O)C3=C2C=CC=C3C MCULE-5714121084 [0,1,0,0,1,0|2,0,0]=4 41 B20R3.451789 COC1=CC=NC2=C3N=CC=C(C3=CC=C12)OC MCULE-2970835704 [0,2,0,0,0,0|0,0,0]=2 42 B20R3.14988800 CC1=CN=C2C3=NC=C(C(=C3C=CC2=C1C)C)C MCULE-3066359229 [0,2,0,0,0,0|0,0,0]=2 43 B20R3.21110615 CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)O)O MCULE-3835338425 [0,2,0,0,0,0|2,0,0]=4 44 B18R3.47120 CC1=C(C=NC=C1)C2=CC3=C(O2)C=CC=C3 MCULE-8523237561 [0,0,1,1,0,0|2,0,0]=4