0 B17R2.1368 COC1=C(C=C2C(=C1)CCN(C2C)C)OC MCULE-4619930979 [1,0,0,0,0,0|0,0,0]=1 1 B17R2.1368 COC1=C(C=C2C(=C1)CCN(C2C)C)OC MCULE-7274620665 [1,0,0,0,0,0|0,0,0]=1 2 B17R2.1368 COC1=C(C=C2C(=C1)CCN([C@H]2C)C)OC MCULE-7371894209 [1,0,0,0,0,0|0,0,0]=1 3 B17R2.1368 COC1=C(C=C2C(=C1)CCN([C@H]2C)C)OC MCULE-9017069163 [1,0,0,0,0,0|0,0,0]=1 4 B17R2.1368 COC1=C(C=C2C(=C1)CC[N+](=C2C)C)OC MCULE-5843604160 [1,0,0,0,0,0|0,0,2]=3 5 B17R2.1368 COC1=C(C=C2C(=C1)CC[N+](=C2C)C)OC MCULE-7405077385 [1,0,0,0,0,0|0,0,2]=3 6 B17R2.1368 COC1=C(C=C2C(=O)N(CCC2=C1)C)OC MCULE-7322868782 [1,0,0,0,0,0|1,0,1]=3 7 B16R1.4278 CCC(C)[C@@H](N)C1=CC=C(C(=C1)OC)OC MCULE-8619667472 [1,0,1,0,0,0|2,0,0]=4 8 B16R1.4278 CCC(C)[C@@H](N)C1=CC=C(C(=C1)OC)OC MCULE-9377179979 [1,0,1,0,0,0|2,0,0]=4 9 B16R1.4278 CCC(C)[C@H](N)C1=CC=C(C(=C1)OC)OC MCULE-1563917991 [1,0,1,0,0,0|2,0,0]=4 10 B16R1.4278 CCC(C)[C@H](N)C1=CC=C(C(=C1)OC)OC MCULE-4119062798 [1,0,1,0,0,0|2,0,0]=4 11 B16R1.4276 CCC(C)NCC1=CC=C(C(=C1)OC)OC MCULE-3167840977 [1,0,1,0,0,0|2,0,0]=4 12 B16R1.4276 CCC(C)NCC1=CC=C(C(=C1)OC)OC MCULE-9966044511 [1,0,1,0,0,0|2,0,0]=4 13 B16R2.1461 COC1=C(C=C2CC(CCC2=C1)N)OC MCULE-5621709920 [2,0,0,0,0,0|2,0,0]=4 14 B16R2.1461 COC1=C(C=C2CC(NCC2=C1)C)OC MCULE-8901980289 [2,0,0,0,0,0|2,0,0]=4 15 B16R2.1461 COC1=C(C=C2CN(CCC2=C1)C)OC MCULE-1979767083 [2,0,0,0,0,0|0,0,0]=2 16 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)CC2 MCULE-3138140627 [2,0,0,0,0,0|2,0,0]=4 17 B16R2.1461 COC1=CC2=C(C=C1OC)CC(CC2)N MCULE-3895161883 [2,0,0,0,0,0|2,0,0]=4 18 B16R2.1461 COC1=CC2=C(C=C1OC)CC(CC2)N MCULE-6853063647 [2,0,0,0,0,0|2,0,0]=4 19 B16R2.1461 COC1=CC2=C(C=C1OC)CC(NC2)C MCULE-9171599789 [2,0,0,0,0,0|2,0,0]=4 20 B16R2.1461 COC1=CC2=C(C=C1OC)CC[N+](=C2)C MCULE-3970492700 [2,0,0,0,0,0|0,0,2]=4 21 B16R2.1461 COC1=CC2=C(C=C1OC)CC[N+](=C2)C MCULE-8926675118 [2,0,0,0,0,0|0,0,2]=4 22 B16R2.1679 COC1=C(C=C2C(=O)N(CCC2=C1)C)O MCULE-2744669903 [2,0,0,0,0,0|1,0,1]=4 23 B16R2.1935 COC1=C(C=C2C(=C1)CCN=C2C)OC MCULE-4275379787 [2,0,0,0,0,0|0,0,2]=4 24 B16R2.1935 COC1=C(C=C2C(=O)NCCC2=C1)OC MCULE-3983514525 [2,0,0,0,0,0|1,0,1]=4 25 B16R2.1935 COC1=C(C=C2C(=S)NCCC2=C1)OC MCULE-2845963746 [2,0,0,0,0,0|1,0,1]=4 26 B16R2.1935 COC1=CC2=C(C=C1OC)C(=NCC2)C MCULE-4253771992 [2,0,0,0,0,0|0,0,2]=4 27 B16R2.1935 COC1=CC2=C(C=C1OC)C(NCC2)C MCULE-5532125488 [2,0,0,0,0,0|0,0,0]=2 28 B16R2.1935 COC1=CC2=C(C=C1OC)C(NCC2)C MCULE-9434960460 [2,0,0,0,0,0|0,0,0]=2 29 B16R2.1935 COC1=CC2=C(C=C1OC)[C@@H](NCC2)C MCULE-2230319090 [2,0,0,0,0,0|0,0,0]=2 30 B16R2.1935 COC1=CC2=C(C=C1OC)[C@@H](NCC2)C MCULE-4199706131 [2,0,0,0,0,0|0,0,0]=2 31 B16R2.1935 COC1=CC2=C(C=C1OC)[C@H](NCC2)C MCULE-4544216229 [2,0,0,0,0,0|0,0,0]=2 32 B16R2.1935 COC1=CC2=C(C=C1OC)[C@H](NCC2)C MCULE-7536573036 [2,0,0,0,0,0|0,0,0]=2 33 B18R1.18276 CCC(C)[C@@H](N)C1=CC(=C(C(=C1)OC)OC)OC MCULE-4213304067 [0,1,1,0,0,0|2,0,0]=4 34 B18R1.18276 CCC(C)[C@@H](N)C1=CC(=C(C(=C1)OC)OC)OC MCULE-5866555332 [0,1,1,0,0,0|2,0,0]=4 35 B18R1.18276 CCC(C)[C@H](N)C1=CC(=C(C(=C1)OC)OC)OC MCULE-5735191334 [0,1,1,0,0,0|2,0,0]=4 36 B18R1.18276 CCC(C)[C@H](N)C1=CC(=C(C(=C1)OC)OC)OC MCULE-9195867756 [0,1,1,0,0,0|2,0,0]=4 37 B18R1.282917 CCC(C)NCC1=CC=C(C(=C1OC)OC)OC MCULE-2442232150 [0,1,1,0,0,0|2,0,0]=4 38 B18R1.282917 CCC(C)NCC1=CC=C(C(=C1OC)OC)OC MCULE-3142815895 [0,1,1,0,0,0|2,0,0]=4 39 B18R2.895 COC1=CC2=C(C=C1OC)C(N(CC2)C)C#N MCULE-7581565117 [1,1,0,0,0,0|0,0,1]=3 40 B18R2.111983 COC1=CC2=C(C=C1OC)C([N+](CC2)(C)C)C MCULE-6175207124 [1,1,0,0,0,0|0,0,1]=3 41 B18R2.111983 COC1=CC2=C(C=C1OC)C([N+](CC2)(C)C)C MCULE-8877563134 [1,1,0,0,0,0|0,0,1]=3 42 B18R2.111983 COC1=CC2=C(C=C1OC)[C@@H]([N+](CC2)(C)C)C MCULE-2253532590 [1,1,0,0,0,0|0,0,1]=3 43 B18R2.111983 COC1=CC2=C(C=C1OC)[C@@H]([N+](CC2)(C)C)C MCULE-4805251676 [1,1,0,0,0,0|0,0,1]=3 44 B18R2.113910 CCC(C)[C@@H](N)C1=CC2=C(OCO2)C(=C1)OC MCULE-4141585867 [0,0,1,1,0,0|2,0,0]=4 45 B18R2.113910 CCC(C)[C@@H](N)C1=CC2=C(OCO2)C(=C1)OC MCULE-7956299807 [0,0,1,1,0,0|2,0,0]=4 46 B18R2.113910 CCC(C)[C@H](N)C1=CC2=C(OCO2)C(=C1)OC MCULE-3507386862 [0,0,1,1,0,0|2,0,0]=4 47 B18R2.113910 CCC(C)[C@H](N)C1=CC2=C(OCO2)C(=C1)OC MCULE-6808240010 [0,0,1,1,0,0|2,0,0]=4 48 B18R2.769111 COC1=C(C=C2CC(=O)N(CCC2=C1)C)OC MCULE-1683200222 [1,0,0,0,0,1|1,0,1]=4