0 B18R2.67047 CC1=CC=C(C(=C1)OCC2=NCCN2)C(C)C MCULE-1130890848 [0,0,0,0,0,0|0,0,0]=0 1 B18R2.67047 CC1=CC=C(C(=C1)OCC2=NCCN2)C(C)C MCULE-4243993821 [0,0,0,0,0,0|0,0,0]=0 2 B18R2.67047 CC1=CC=C(C(=C1)OCC2CCNC2)C(C)C MCULE-2703233686 [0,0,0,0,0,0|3,0,1]=4 3 B18R2.67047 CC1=CC=C(C(=C1)OCC2CCNC2)C(C)C MCULE-6002777749 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.5678 CC(C)C1=CC=CC=C1OCC2=NCCN2 MCULE-9787505367 [1,0,0,0,0,0|0,0,0]=1 5 B19R2.45048 CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(S2)N MCULE-3442543316 [0,1,0,0,0,0|2,0,1]=4 6 B19R2.45048 CC1=CC=C(C(=C1)OCC2=NN=C(O2)S)C(C)C MCULE-9095824003 [0,1,0,0,0,0|2,0,1]=4 7 B17R1.4839 CCOC(=O)COC1=CC(=CC=C1C(C)C)C MCULE-6459750380 [0,0,1,0,0,0|2,0,0]=3 8 B19R2.103373 CC1=CC=C(C(=C1)OCC2CCCNC2)C(C)C MCULE-4609479965 [0,0,0,0,0,1|1,0,1]=3 9 B19R2.103373 CC1=CC=C(C(=C1)OCC2CCNCC2)C(C)C MCULE-5437138029 [0,0,0,0,0,1|2,0,1]=4 10 B16R1.241 CCNCCOC1=CC(=CC=C1C(C)C)C MCULE-7364480168 [1,0,1,0,0,0|0,0,1]=3 11 B16R1.241 CCNCCOC1=CC(=CC=C1C(C)C)C MCULE-8394656326 [1,0,1,0,0,0|0,0,1]=3 12 B16R1.3900 CCCNCCOC1=C(C=CC=C1)C(C)C MCULE-6731100556 [1,0,1,0,0,0|1,0,1]=4 13 B16R1.1302 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN MCULE-1191109150 [1,0,1,0,0,0|2,0,0]=4 14 B16R1.1302 CNC(=O)COC1=CC(=CC=C1C(C)C)C MCULE-4698707825 [1,0,1,0,0,0|1,0,0]=3 15 B16R1.4440 CCOC(=O)COC1=CC=CC=C1C(C)C MCULE-5711984842 [1,0,1,0,0,0|2,0,0]=4 16 B16R2.12623 CC1=CC(=C(C=C1)C)CSC2=NCCN2 MCULE-1261430510 [2,0,0,0,0,0|2,0,0]=4 17 B16R2.12623 CC1=CC(=C(C=C1)C)CSC2=NCCN2 MCULE-1860214413 [2,0,0,0,0,0|2,0,0]=4 18 B18R1.4078 CC1=CC(=C(C=C1)C(C)(C)C)OCCNCCN MCULE-7181429512 [0,1,1,0,0,0|0,0,2]=4 19 B18R1.4078 CC1=CC(=C(C=C1)C(C)(C)C)OCCNCCN MCULE-9393855715 [0,1,1,0,0,0|0,0,2]=4 20 B18R1.10058 CCCNC(=O)COC1=C(C=CC(=C1)C)C(C)C MCULE-3828707874 [0,1,1,0,0,0|1,0,0]=3 21 B18R1.33486 CCC(C)NCCOC1=CC(=CC=C1C(C)C)C MCULE-6243533395 [0,1,1,0,0,0|1,0,1]=4 22 B18R1.4870 CCOC(=O)COC1=CC(=CC=C1C(C)(C)C)C MCULE-7403366099 [0,1,1,0,0,0|2,0,0]=4 23 B18R1.6101 CCNC(=O)C(C)OC1=C(C=CC(=C1)C)C(C)C MCULE-3963343669 [0,1,1,0,0,0|1,0,0]=3 24 B18R1.6101 CCOC(=O)C(C)OC1=C(C=CC(=C1)C)C(C)C MCULE-7209429763 [0,1,1,0,0,0|2,0,0]=4 25 B18R1.217058 CCOC(=O)COC1=CC(=C(C=C1C(C)C)Br)C MCULE-6407002472 [0,1,1,0,0,0|2,0,0]=4 26 B18R2.14566 CC(C)(C)C1=C(C=CC=N1)OCC2=NCCN2 MCULE-5164669960 [1,1,0,0,0,0|1,0,0]=3 27 B18R2.14566 CC(C)(C)C1=C(C=CC=N1)OCC2=NCCN2 MCULE-8640774650 [1,1,0,0,0,0|1,0,0]=3 28 B20R2.659731 CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C)S MCULE-5309979702 [0,2,0,0,0,0|1,0,1]=4 29 B18R3.36582 C1=CC(=C(C=C1)C2CC2)OCC3=NCCN3 MCULE-7048236680 [1,0,0,1,0,0|0,0,0]=2 30 B18R3.36582 C1=CC(=C(C=C1)C2CC2)OCC3=NCCN3 MCULE-7557706119 [1,0,0,1,0,0|0,0,0]=2 31 B16R2.498 CC(C)C1=CC=CC=C1NC2=NCCS2 MCULE-2943438509 [1,0,0,0,1,0|2,0,0]=4 32 B16R2.12625 CC1=CC=C(C(=C1)OCC2CC2)C(C)N MCULE-1536190615 [0,0,0,0,2,0|1,0,1]=4 33 B16R2.12625 CC1=CC=C(C(=C1)OCC2CC2)C(C)N MCULE-8099618166 [0,0,0,0,2,0|1,0,1]=4 34 B18R2.7138 CC(C)C1=C(C=CC=C1)OCC2CCCNC2 MCULE-1621550763 [1,0,0,0,0,1|1,0,1]=4 35 B18R2.7138 CC(C)C1=C(C=CC=C1)OCC2CCCNC2 MCULE-3368721933 [1,0,0,0,0,1|1,0,1]=4 36 B20R2.156502 CC1=CC=C(C(=C1)OCCC2CCCCN2)C(C)C MCULE-4664690605 [0,0,0,0,0,2|1,0,1]=4 37 B20R2.156502 CC1=CC=C(C(=C1)OCCC2CCCCN2)C(C)C MCULE-8635164722 [0,0,0,0,0,2|1,0,1]=4 38 B20R2.156502 CC1=CC=C(C(=C1)OCCC2CCCNC2)C(C)C MCULE-1160313383 [0,0,0,0,0,2|1,0,1]=4 39 B20R2.156502 CC1=CC=C(C(=C1)OCCC2CCCNC2)C(C)C MCULE-2374131432 [0,0,0,0,0,2|1,0,1]=4