0 B16R2.6175 CC1=CC(=C(C(=C1)C)CC2=NCCN2)C MCULE-3851451102 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.6175 CC1=CC(=C(C(=C1)C)NC2=NCCS2)C MCULE-4664617580 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.6175 ClC1=CC(=CC(=C1N=C2NCCN2)Cl)I MCULE-7771230346 [0,0,0,0,0,0|1,0,2]=3 3 B16R2.6175 ClC1=CC(=CC(=C1N=C2NCCN2)Cl)I MCULE-8997645777 [0,0,0,0,0,0|1,0,2]=3 4 B16R2.6175 NC1=CC(=C(C(=C1)Cl)NC2=NCCN2)Cl MCULE-6259215099 [0,0,0,0,0,0|0,0,0]=0 5 B16R2.6175 NC1=CC(=C(C(=C1)Cl)NC2=NCCN2)Cl MCULE-7993920296 [0,0,0,0,0,0|0,0,0]=0 6 B16R2.6175 OC1=CC(=C(C(=C1)Cl)NC2=NCCN2)Cl MCULE-5144662218 [0,0,0,0,0,0|1,0,0]=1 7 B16R2.6175 OC1=CC(=C(C(=C1)Cl)NC2=NCC[NH2+]2)Cl MCULE-5648908255 [0,0,0,0,0,0|1,0,1]=2 8 B15R2.1154 CC1=CC(=C(C=C1)NC2=NCCN2)Cl MCULE-6459811464 [1,0,0,0,0,0|1,0,0]=2 9 B15R2.1154 CC1=CC(=CC=C1NC2=NCCS2)F MCULE-4533698966 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.1154 ClC1=CC(=C(C=C1)NC2=NC=NN2)Cl MCULE-7532657739 [1,0,0,0,0,0|2,0,1]=4 11 B15R2.1154 ClC1=CC(=C(C=C1)NC2=NCCS2)Cl MCULE-6686516710 [1,0,0,0,0,0|2,0,0]=3 12 B15R2.1154 ClC1=CC(=CC=C1NC2=NCCS2)Br MCULE-9132859233 [1,0,0,0,0,0|2,0,0]=3 13 B15R2.15371 CC1=CC=CC(=C1NC2=NCCN2)C MCULE-8658291527 [1,0,0,0,0,0|2,0,0]=3 14 B15R2.15371 CC1=CC=CC(=C1NC2=NCCS2)C MCULE-3990484846 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.15371 ClC1=CC=CC(=C1/N=C/2\CCCN2)Cl MCULE-2738885996 [1,0,0,0,0,0|1,0,1]=3 16 B15R2.15371 ClC1=CC=CC(=C1/N=C\2/NCCS2)Cl MCULE-9783526202 [1,0,0,0,0,0|1,0,1]=3 17 B15R2.15371 ClC1=CC=CC(=C1NC2=NCCN2)Cl MCULE-5017779690 [1,0,0,0,0,0|0,0,0]=1 18 B15R2.15371 ClC1=CC=CC(=C1NC2=NCCN2)Cl MCULE-6555265624 [1,0,0,0,0,0|0,0,0]=1 19 B15R2.15371 ClC1=CC=CC(=C1NC2=NCCN2)Cl MCULE-9274594116 [1,0,0,0,0,0|0,0,0]=1 20 B15R2.15371 FC1=C(C(=CC=C1)Br)NC2=NCCN2 MCULE-3049261530 [1,0,0,0,0,0|0,2,0]=3 21 B15R2.15371 FC1=C(C(=CC=C1)Br)NC2=NCCN2 MCULE-7640826371 [1,0,0,0,0,0|0,2,0]=3 22 B15R1.37637 CCCC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl MCULE-3645276568 [0,0,1,0,0,0|3,0,0]=4 23 B15R2.4201 NC1=CC(=C(C(=C1)Cl)N2CCCC2)Cl MCULE-5875413433 [0,0,0,0,1,0|3,0,0]=4 24 B15R2.4201 NC1=CC(=C(C(=C1)Cl)N2CCCC2)Cl MCULE-8831982118 [0,0,0,0,1,0|3,0,0]=4 25 B14R1.20257 CNC(=S)NC1=C(C=C(C=C1Cl)Cl)Cl MCULE-2683956898 [1,0,1,0,0,0|2,0,0]=4 26 B14R1.6823 CCCC(=O)NC1=C(C=C(C=C1)N)Cl MCULE-7211069291 [1,0,1,0,0,0|2,0,0]=4 27 B14R1.6823 CCNC(=S)NC1=C(C=C(C=C1)Cl)Cl MCULE-2127268654 [1,0,1,0,0,0|2,0,0]=4 28 B14R1.19171 CCCC(=O)NC1=C(C=CC=C1Cl)Cl MCULE-7768445612 [1,0,1,0,0,0|2,0,0]=4 29 B14R1.19171 CCOC(=N)CC1=C(C=CC=C1Cl)Cl MCULE-1385318317 [1,0,1,0,0,0|2,0,0]=4 30 B14R1.19171 CCOC(=N)CC1=C(C=CC=C1Cl)Cl MCULE-5305228176 [1,0,1,0,0,0|2,0,0]=4 31 B14R1.19171 CCOC(=O)NC1=C(C=CC=C1Cl)Cl MCULE-3083617076 [1,0,1,0,0,0|2,0,0]=4 32 B14R2.50 CC1=C(C=CC=C1)NC2=NCCS2 MCULE-8540817027 [2,0,0,0,0,0|2,0,0]=4 33 B14R2.50 ClC1=C(C=CC=C1)CC2=NCCN2 MCULE-3850240814 [2,0,0,0,0,0|1,0,0]=3 34 B14R2.72 BrC1=CC=C(C=C1)NC2=NCCC2 MCULE-6197046542 [2,0,0,0,0,0|2,0,0]=4 35 B14R2.72 CC1=CC=C(C=C1)NC2=NCCS2 MCULE-2957764760 [2,0,0,0,0,0|2,0,0]=4 36 B14R2.72 ClC1=CC=C(C=C1)NC2=NCCS2 MCULE-5724738405 [2,0,0,0,0,0|2,0,0]=4 37 B14R2.72 FC1=CC=C(C=C1)NC2=NCCC2 MCULE-8228522527 [2,0,0,0,0,0|2,0,0]=4 38 B16R2.11484 O=C1CSC(=N1)NC2=C(C=CC=C2Cl)Cl MCULE-3407290654 [1,1,0,0,0,0|1,0,1]=4 39 B14R2.739 CC1=CC=C(C(=C1)O)C2=NCCN2 MCULE-3227973301 [1,0,0,0,1,0|2,0,0]=4 40 B14R2.739 NC1=CC(=CC=C1C2=NCCN2)Cl MCULE-6934681728 [1,0,0,0,1,0|2,0,0]=4 41 B14R2.4572 CC1=CSC(=C1NC2=NCCN2)Cl MCULE-7426597927 [1,0,0,0,1,0|2,0,0]=4 42 B14R2.9066 ClC1=CC=CC(=C1C2=NN=NN2)Cl MCULE-7303217094 [1,0,0,0,1,0|2,0,0]=4 43 B14R2.9066 ClC1=CC=CC(=C1C2CCCN2)Cl MCULE-7187475745 [1,0,0,0,1,0|1,0,1]=4 44 B14R2.9066 ClC1=CC=CC(=C1[C@@H]2CCCN2)Cl MCULE-3088205589 [1,0,0,0,1,0|1,0,1]=4 45 B14R2.9066 ClC1=CC=CC(=C1[C@@H]2CCCN2)Cl MCULE-8473295231 [1,0,0,0,1,0|1,0,1]=4 46 B14R2.9066 ClC1=CC=CC(=C1[C@H]2CCCN2)Cl MCULE-1026702182 [1,0,0,0,1,0|1,0,1]=4 47 B14R2.9066 ClC1=CC=CC(=C1[C@H]2CCCN2)Cl MCULE-1916512166 [1,0,0,0,1,0|1,0,1]=4 48 B16R2.3000 ClC1=CC=C(C(=C1)Cl)CSC2=NCCN2 MCULE-2943858059 [1,0,0,0,0,1|2,0,0]=4 49 B16R2.3000 ClC1=CC=C(C(=C1)Cl)CSC2=NCCN2 MCULE-8506256702 [1,0,0,0,0,1|2,0,0]=4 50 B16R2.3000 FC1=CC=C(C(=C1)F)CNC2=NCCN2 MCULE-5034835939 [1,0,0,0,0,1|1,1,0]=4 51 B16R2.25778 ClC1=CC=CC(=C1CSC2=NCCS2)Cl MCULE-3349907988 [1,0,0,0,0,1|2,0,0]=4 52 B16R2.25778 FC1=C(C(=CC=C1)Cl)CSC2=NCCN2 MCULE-3075608937 [1,0,0,0,0,1|1,1,0]=4 53 B16R2.25778 FC1=C(C(=CC=C1)Cl)CSC2=NCCN2 MCULE-3247064123 [1,0,0,0,0,1|1,1,0]=4 54 B16R2.25778 FC1=C(C(=CC=C1)Cl)CSC2=NCCN2 MCULE-4813710903 [1,0,0,0,0,1|1,1,0]=4