# DEQUALINIUM EXAMPLE (Figure 4)
# Fragmentation (Figure 4a)
CC1C=C(N)c2ccccc2N1.Cc1cc(=N)c2ccccc2n1
# Experimental (Figure 4b)
Cc1cc(=N)c2ccccc2n1CCCCCCCC/C=C/N1c2ccccc2C(N)=CC1C
# DeLinker generated (Figure 4c)
Cc1cc(=N)c2ccccc2n1CCNCNCNCCN1c2ccccc2C(N)=CC1C
Cc1cc(=N)c2ccccc2n1CCCNN=CC=C(S)CN1c2ccccc2C(N)=CC1C
Cc1cc(=N)c2ccccc2n1CC[NH2+]CCNCCCCN1c2ccccc2C(N)=CC1C
Cc1cc(=N)c2ccccc2n1CCNC(=O)[NH+]=CNCCN1c2ccccc2C(N)=CC1C
Cc1cc(=N)c2ccccc2n1C=CC=CCCOC(=O)CN1c2ccccc2C(N)=CC1C
# Database generated (Figure 4d)
Cc1cc(=N)c2ccccc2n1N=Cc1ccc(OCN2c3ccccc3C(N)=CC2C)cc1
Cc1cc(=N)c2ccccc2n1N1CCN(CCN=CN2c3ccccc3C(N)=CC2C)CC1
Cc1cc(=N)c2ccccc2n1CSc1n[nH]c(=NC(=O)N2c3ccccc3C(N)=CC2C)s1
Cc1cc(=N)c2ccccc2n1CCNC(=O)c1ccc(N2c3ccccc3C(N)=CC2C)s1
Cc1cc(=N)c2ccccc2n1NC(=O)CSc1nnc(N2c3ccccc3C(N)=CC2C)s1

# FRAGMENT LINKING CASE STUDY (Figure 5)
# Experimental (Figure 5a)
Brc1ccc(-c2c[nH]cn2)cc1.Brc1ccc(-c2c[nH]cn2)cc1
CC(Oc1ccc(-c2c[nH]cn2)cc1)C(=O)Nc1ncc(-c2ccc(Br)cc2)[nH]1

# SCAFFOLD HOPPING CASE STUDY (Figure 6)
# Experimental (Figure 6a, 6b)
COc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5F)ccc43)c2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4)cn3)c2)cc(OC)c1OC
# Generated (Figure 6c)
COc1cc(NC(=O)c2cccc(Nc3ccc(Nc4ccccc4F)cn3)c2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(-n3ncc4nc(Nc5ccccc5F)ncc43)c2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(Nc3nc(C#N)c(Nc4ccccc4F)s3)c2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(-n3ccc(C=C(C)Nc4ccccc4F)n3)c2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(-c3n[nH]c4[nH]c(Nc5ccccc5F)nc34)c2)cc(OC)c1OC

# PROTAC CASE STUDY (Figure 7)
# Experimental (Figure 7a)
Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOCCOCCN2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)c1
Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)C)c(OCCc2ccc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)cc2)c1
# Generated (Figure 7c)
Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)C)c(OCCc2cc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)c[nH]2)c1
Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)C)c(C(=O)Nc2cnc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)nc2)c1
Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)C)c(CNCc2ccc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)cc2)c1