427 SMILES Strings for Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform

Compound Name
SMILES String
COc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccccc1)C(=O)N1CCOCC1
COc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1n[nH]c-2c1CS(=O)(=O)c1ccccc-21
COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3C)C(=O)N1CCOCC1
COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccccc1)C(=O)N1CCOCC1
Cc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1ccc(F)cc1-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccccn1
O=C(N1CCOCC1)c1nn(C2CCCCC2)c-2c1CS(=O)(=O)c1ccccc-21
Cn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3c(Br)cccc3-c12
Cn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3c(F)cccc3-c12
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccccc1)C(=O)N1CCOCC1
Cn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccc(F)cc3-c12
Fc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
Brc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccccc1)C(=O)N1CCOCC1
Cc1ccccc1-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Brc1ccccc1-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Fc1ccccc1-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Clc1ccccc1-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc2OCCOc2c1
Cc1nc2ccc(cc2s1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Brc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Clc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Brc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Fc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Clc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC(C)c1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1ccncc1-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(C2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccccc1
Cn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccc(cc3-c12)[N+]([O-])=O
[O-][N+](=O)c1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
CCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COc1ccc(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)cc1
CCCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(Cc2ccccc2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(CCc2ccccc2)c-2c1CS(=O)(=O)c1ccccc-21
CN(C)CCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC(C)(C)OC(=O)N1CCC(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
COCCCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(CC2CCCO2)c-2c1CS(=O)(=O)c1ccccc-21
OCCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(Cc2ccccn2)c-2c1CS(=O)(=O)c1ccccc-21
CCCCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(CC2CCCC2)c-2c1CS(=O)(=O)c1ccccc-21
CC(C)Cn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(CC2CCCCC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(CC2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21
COCCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
OCCCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(CCc2ccccn2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(CC2CCNCC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(c-2c1C(Cc1ccccc1)S(=O)(=O)c1ccccc-21)-c1ccccc1
O=C(N1CCOCC1)c1nn(c-2c1C(CC1CC1)S(=O)(=O)c1ccccc-21)-c1ccccc1
CCC1c2c(nn(c2-c2ccccc2S1(=O)=O)-c1ccccc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)C(=O)N1CCOCC1
NC(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccc(Br)cc3-c12
Brc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
Nc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
CS(=O)(=O)NCc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)C#N
CN(C)CCCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CN1CCCC(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
CN1CCCC1CCn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(CCN2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCCC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCNCC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCCNC2)c-2c1CS(=O)(=O)c1ccccc-21
CN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(C2CCCCCC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCCCC2)c-2c1CS(=O)(=O)c1ncccc-21
O=C(N1CCOCC1)c1nn(C2CCCNCC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCNC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccnc1
COCCNc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1C1CCCCC1)C(=O)N1CCOCC1
CC(C)(C)C1CCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |(4.69,-5.88,;5.09,-4.39,;6.58,-4,;3.76,-5.16,;4,-3.31,;2.51,-3.7,;1.42,-2.61,;1.82,-1.13,;3.31,-.73,;4.4,-1.82,;.73,-.04,;-.8,-.2,;-1.42,1.21,;-2.91,1.61,;-3.31,3.09,;-4,.52,;-5.49,.92,;-6.58,-.17,;-6.18,-1.66,;-4.69,-2.06,;-3.6,-.97,;-.28,2.24,;-.28,3.78,;1.05,4.55,;.28,5.88,;1.82,5.88,;2.39,3.78,;3.72,4.55,;5.05,3.78,;5.05,2.24,;3.72,1.47,;2.39,2.24,;1.05,1.47,)|
OC1CCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |(5.83,-5.14,;4.74,-4.05,;3.26,-4.45,;2.17,-3.36,;2.57,-1.87,;4.05,-1.47,;5.14,-2.56,;1.48,-.78,;-.05,-.94,;-.68,.46,;-2.17,.86,;-2.57,2.35,;-3.26,-.23,;-4.74,.17,;-5.83,-.92,;-5.43,-2.4,;-3.95,-2.8,;-2.86,-1.71,;.46,1.49,;.46,3.03,;1.8,3.8,;1.03,5.14,;2.57,5.14,;3.13,3.03,;4.47,3.8,;5.8,3.03,;5.8,1.49,;4.47,.72,;3.13,1.49,;1.8,.72,)|
O=C(N1CCOCC1)c1nn(C2CCCOC2)c-2c1CS(=O)(=O)c1ccccc-21
CC(=O)Nc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
COCCN1CCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cn1nc(C(=O)N2CCOCC2)c2C(Cc3ccccc3)S(=O)(=O)c3ccccc3-c12
COCCCC1c2c(nn(c2-c2ccccc2S1(=O)=O)-c1ccccc1)C(=O)N1CCOCC1
COc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
CN1CCN(CC1)C(=O)c1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
CN(C)C(=O)c1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccc(cc-21)C(=O)N1CCOCC1)-c1ccccc1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccc(cc-21)C(=O)N1CCCCC1)-c1ccccc1
CS(=O)(=O)Nc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
CC(C)(C)OC(=O)N1CCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC(C)(C)OC(=O)N1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
OCCN1CCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Brc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccccc1)C(=O)N1CCOCC1
CS(=O)(=O)N1CCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CN1CCN(CC1)C(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)C(=O)N1CCCCC1
COCCNC(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC1CCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |(5.83,-5.14,;4.74,-4.05,;3.26,-4.45,;2.17,-3.36,;2.57,-1.87,;4.05,-1.47,;5.14,-2.56,;1.48,-.78,;-.05,-.94,;-.68,.46,;-2.17,.86,;-2.57,2.35,;-3.26,-.23,;-4.74,.17,;-5.83,-.92,;-5.43,-2.4,;-3.95,-2.8,;-2.86,-1.71,;.46,1.49,;.46,3.03,;1.8,3.8,;1.03,5.14,;2.57,5.14,;3.13,3.03,;4.47,3.8,;5.8,3.03,;5.8,1.49,;4.47,.72,;3.13,1.49,;1.8,.72,)|
Brc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3C1CCCCC1)C(=O)N1CCOCC1
Cc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
CS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COc1ccc(cn1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ncccc-21)-c1ccccc1
COCCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
OCCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CS(=O)(=O)N1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(CN2CCOCC2)c1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(CN2CCOCC2)cc1
CS(=O)(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccccc1)C(=O)N1CCOCC1
NCCCC1c2c(nn(c2-c2ccccc2S1(=O)=O)-c1ccccc1)C(=O)N1CCOCC1
OCc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COC1CCN(CC1)C(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
OC1CCN(CC1)C(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
OC1CCCN(C1)C(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
OCC1CCCN(C1)C(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)C(=O)N1CCS(=O)(=O)CC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(cc1)C(=O)N1CCOCC1
O=C(NC1CCOCC1)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(Nc1cccnc1)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccncc-21)-c1ccccc1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(cc1)C(=O)N1CCCCC1
CN(C)c1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccccc1)C(=O)N1CCOCC1
OCc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(cc1)N1CCOCC1
COCCNc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccccc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)-c1ccccc1
FC(F)(F)c1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccccc1)C(=O)N1CCOCC1
COC1CCCN(C1)C(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1ccccc1-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1ccccc1-c1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccc(CN3CCOCC3)cc-21)-c1ccccc1
CC1CN(CCO1)C(=O)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccccc1
Nc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Nc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccccc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(Nc2ccccc2)c1
FC1CCN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
COC1CCN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(CN2CCCCC2)cc1
FC1(F)CCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC1(C)CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COCCCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC(C)CCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(C2CCCN(Cc3ccccc3)C2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCCN(CCN3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
Fc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CN(C)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(CN2CCCCC2)c1
CN(C)Cc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CS(=O)(=O)Nc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)N1CCCC1
Cc1nnc(o1)-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1nnc(s1)-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1noc(C)c1-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cn1cc(cn1)-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Nc1ncc(cn1)-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)-c1ccncc1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)-c1cnn(CCN2CCOCC2)c1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)-c1nccs1
COCCN1CCC(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
CC(=O)N1CCC(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1sccc-21)-c1ccccc1
O=C(C1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12)N1CCCCC1
O=C(C1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12)N1CCOCC1
Cn1cc(ccc1=O)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3sccc3-c12
Cc1noc(n1)-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)-c1ccoc1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)-c1cccnc1
CCc1nc(no1)-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1nc(n[nH]1)-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(C2CCCCC2)c-2c1CS(=O)(=O)c1sccc-21
Cc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccccc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc2[nH]ncc2c1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc2nn(Cc3ccccc3)cc2c1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccsc-21)-c1ccccc1
O=C(N1CCOCC1)c1nn(C2CCCCC2)c-2c1CS(=O)(=O)c1ccsc-21
CN(C)S(=O)(=O)c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CN1CCC(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
O=C(Nc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12)N1CCOCC1
Cn1cc(ccc1=O)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ncccc-21)-c1ccc(CN2CCOCC2)cc1
CNc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccccc1)C(=O)N1CCOCC1
CN(C)Cc1noc(n1)-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COCc1noc(n1)-c1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(C2CCC(CN3CCOCC3)CC2)c-2c1CS(=O)(=O)c1ccccc-21 |(-2.91,4.58,;-2.51,3.09,;-3.6,2,;-5.09,2.4,;-6.18,1.31,;-5.78,-.17,;-4.29,-.57,;-3.2,.52,;-1.03,2.7,;-.4,1.29,;1.13,1.45,;2.22,.36,;1.82,-1.13,;2.91,-2.22,;4.4,-1.82,;5.49,-2.91,;5.09,-4.39,;3.6,-4.79,;3.2,-6.28,;4.29,-7.37,;5.78,-6.97,;6.18,-5.48,;4.8,-.33,;3.71,.76,;1.45,2.96,;.12,3.73,;.12,5.27,;1.45,6.04,;.68,7.37,;2.22,7.37,;2.79,5.27,;4.12,6.04,;5.45,5.27,;5.45,3.73,;4.12,2.96,;2.79,3.73,)|
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(CN2CCOCC2)nc1
FC1CCN(Cc2ccc(cn2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
O=C(N1CCOCC1)c1nn(C2CCCN(C2)c2ccccc2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCCN(CCc3ccccc3)C2)c-2c1CS(=O)(=O)c1ccccc-21
CC(C)(C)CCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
FCCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
FC(F)(F)CCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
FC(F)(F)C(CCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12)C(F)(F)F
O=C(N1CCOCC1)c1nn(C2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
COCCOCCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CN(C)Cc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
OC1CCN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(CN2CCCC2)cc1
CS(=O)(=O)C1CCN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
CCc1noc(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)n1
COC(=O)c1ccc(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)o1
COc1cccc(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)c1
CC(C)CCOC1CCN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
COC1CCN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
CC(C)CCOC1CCN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(CN2CCSCC2)c1
OC1CCN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
OC(=O)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(CN2CCOCC2)cc1
O=C(N1CCOCC1)c1nn(Cc2nc3ccccc3s2)c-2c1CS(=O)(=O)c1ccccc-21
Clc1csc(Cn2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)c1
FC1CCN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
CS(=O)(=O)C1CCN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
FC1(F)CCCN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(CN2CCCC2)c1
O=C(N1CCOCC1)c1nn(C2CCOCC2)c-2c1CS(=O)(=O)c1sccc-21
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(CN2CCS(=O)(=O)CC2)c1
COCc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCOCC1)C(=O)N1CCOCC1
NC(=O)c1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccccc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(CN2CCCCC2)nc1
CN1CCN(Cc2ccc(cn2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
CN(C)CCN1CCCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC(C)(C)OC(=O)N1CCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COCCN1CCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COCCCN1CCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC(C)(C)OC(=O)N1CCCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COCCCN1CCCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
COCCN1CCCC(CC1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
FC1(F)CCN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
FC1(F)CN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
COC1CN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
O=C(N1CCOCC1)c1nn(C2CCCN(CCn3cccn3)C2)c-2c1CS(=O)(=O)c1ccccc-21
Clc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCOCC1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(C2CCCN(CC3CCOC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
COC1CCN(Cc2cccc(c2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
COC1CCN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
FC1(F)CCN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
FC1(F)CCCN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
O=C(N1CCOCC1)c1nn(C2CCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
FC1(F)CN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
COC1CN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
FC1(F)CN(CCN2CCCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
ClCCN1CCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(C2CCN(CCN3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(NC1CCCCC1)N1CCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
FC1CCN(CCN2CCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
COCc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(CC1CCCCC1)N1CCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1
FC1CCN(CCN2CCCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
F[C@H]1CCN(CCN2CCCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
F[C@@H]1CCN(CCN2CCCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
FC1(F)CCCN(CCN2CCCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
O=C(N1CCOCC1)c1nn(C2CCN(CCC3CCOCC3)CC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCN(CCn3cccn3)C2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(CC1CCOCC1)N1CCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(C2CCN(CCn3ccnc3)C2)c-2c1CS(=O)(=O)c1ccccc-21
CC(=O)Nc1nc-2c(s1)S(=O)(=O)Cc1c(nn(C3CCOCC3)c-21)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(C2CCN(CCN3CCOCC3)CC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(Cn2ccnc2)c1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(Cn2cccn2)c1
O=C(N1CCOCC1)c1nn(C2CCCN(C2)C2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCCN(CCC3CCCCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
Cc1nc(CN2CCCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)no1
O=C(N1CCOCC1)c1nn(C2CCCN(CCCn3cccc3)C2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCCN(CCn3ccnc3)C2)c-2c1CS(=O)(=O)c1ccccc-21
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCN(C1)C1CCOCC1)C(=O)N1CCOCC1
CC(=O)OCCN1CCC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(C2CCN(C2)C2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21
Clc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(C2CCN(CC3CCOC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCN(CC2CCOC2)C1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(C2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn([C@@H]2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
F[C@@H]1CCN(CCN2CCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
Clc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1
F[C@H]1CCN(CCN2CCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
FC1(F)CN(CCN2CCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
COc1ccccc1-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(Cc2cnccn2)c-2c1CS(=O)(=O)c1ccccc-21
FC1c2c(nn(C3CCOCC3)c2-c2ccccc2S1(=O)=O)C(=O)N1CCOCC1
COc1ccc(cc1)C(=O)Cn1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC1CC(C)CC(C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC(=O)Nc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccccc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1c-2cccc1-c1ccccc1)-c1ccccc1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(c1)-c1ncon1
CCCCNc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccccc1)C(=O)N1CCOCC1
COCCNc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccccc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(cc1)-c1ccccc1
OCC1CN(CCO1)C(=O)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccccc1
O=C(N1CCCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccccc1
CC1COCCN1C(=O)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccccc1
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(OCCn2cccn2)c1
COCCOc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(C2CCOC2)c-2c1CS(=O)(=O)c1ccccc-21
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@@H]1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r|
COCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COCCN1CCC[C@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
O=C(N1CCOCC1)c1nn([C@@H]2CCCN(CCN3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@@H]1CCN(C1)C1CCOCC1)C(=O)N1CCOCC1 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCN(C1)C1CCOCC1)C(=O)N1CCOCC1 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@@H]1CCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r|
CC1COCCN1Cc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn([C@@H]2CCCNC2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCNC2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1cccc(OCCn2ccnc2)c1
O=C(N1CCOCC1)c1nn([C@H]2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
FC1(F)CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
FC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r|
F[C@H]1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCOC1)C(=O)N1CCOCC1
FCCN1CCC[C@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
FC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r|
CC1(C)CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CCO1 |r|
O=C(N1CCOCC1)c1nn([C@@H]2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21 |r|
FCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@@H]1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(C2)C2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21 |r|
CC1COCCN1CCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
C[C@H]1CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C[C@@H](C)O1 |r|
O=C(N1CCOCC1)c1nn([C@@H]2CCCN(C2)C2CCCOC2)c-2c1CS(=O)(=O)c1ncccc-21 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(C2)C2CCCOC2)c-2c1CS(=O)(=O)c1ncccc-21 |r|
COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CC(F)(F)C2)C1)C(=O)N1CCOCC1 |r|
COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CCC(F)CC2)C1)C(=O)N1CCOCC1 |r|
CC1CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CCO1 |r|
Clc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Clc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(C1)C1CCCOC1)C(=O)N1CCOCC1 |r|
CCOc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCOCC1
Fc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCOCC1
Fc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(C2CN3CCC2CC3)c-2c1CS(=O)(=O)c1ccccc-21 |(-2.55,2.03,;-2.15,.54,;-3.24,-.54,;-4.73,-.15,;-5.82,-1.23,;-5.42,-2.72,;-3.93,-3.12,;-2.84,-2.03,;-.66,.15,;-.04,-1.26,;1.49,-1.1,;2.53,-2.24,;4.01,-1.85,;5.1,-2.93,;4.7,-4.42,;3.22,-4.82,;2.13,-3.73,;3.22,-2.64,;4.01,-4.02,;1.81,.41,;.48,1.18,;.48,2.72,;1.81,3.49,;2.58,4.82,;1.04,4.82,;3.15,2.72,;4.48,3.49,;5.82,2.72,;5.82,1.18,;4.48,.41,;3.15,1.18,)|
COCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3cc(OC)ccc3-c12 |r|
COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CC2CCOC2)C1)C(=O)N1CCOCC1 |r|
O=C(N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12)c1ccoc1 |r|
O=C(C1CCOCC1)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
O=C(CC1CCOCC1)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
O=C(CC1CCCCC1)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
O=C(N1CCOCC1)c1nn([C@@H]2CCCN(CC2)C2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(CC2)C2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCN(C2)C2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn([C@@H]2CCN(C2)C2CCOCC2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CC2CCOC2)C1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(C2CN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCn2cccn2)C1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(C2CN(CCN3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn(C2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21
FC1CCN(CCN2CC[C@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r|
FC1CCN(CCN2CC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r|
O=C(N1CCOCC1)c1nn([C@@H]2CCCN(CCn3ccnc3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCn3ccnc3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCN2CC(F)(F)C2)C1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(C2CCCN(C2)C2COC2)c-2c1CS(=O)(=O)c1ccccc-21
O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21 |r|
O=C(N1CCOCC1)c1nn([C@@H]2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21 |r|
COc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(C1)C1CCCOC1)C(=O)N1CCOCC1 |r|
COCCN(C)Cc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(C1)C1CCOCC1)C(=O)N1CCOCC1 |r|
COCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3c(OC)cccc3-c12 |r|
FC1(F)CN(C1)C(=O)CCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
FC1CN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
COCCNCc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CC1CN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CCO1
COC(=O)CCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3c(F)cccc3-c12 |r|
CC1CN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC(C)O1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(CNC2CCOCC2)cc1
CC1(C)CN(Cc2ccc(cc2)-n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CCO1
COCCN(C)CCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCN3CCCC3=O)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
FC1(F)CCN(C1)C(=O)CCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CC(F)(F)C2)C1)C(=O)N1CCOCC1 |r|
COc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CC(F)C2)C1)C(=O)N1CCOCC1 |r|
CC(=O)NCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COCCNCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COC1CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
COCC(=O)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COCCN(CCOC)CCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
CNCc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCN3CCCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
CN1CCC(CC1)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
NCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1C1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1
CN1CCC(CC1)OCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(CNC2CCCOC2)cc1
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(CNC2CCOC2)cc1
CC(C)(N1CCOCC1)c1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CN(C)CC(C)(C)c1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
CN1CCCC(C1)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
COC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r|
CC(C)(CN1CCOCC1)c1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1ccccc-21)-c1ccc(cc1)C1(CN2CCOCC2)CC1
OC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r|
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CC(F)(F)C2)C1)C(=O)N1CCOCC1 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCN3CCCCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(Cc3cccnc3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
COCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3c(C)cccc3-c12 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(C2)c2ccncc2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(C2)C2CCCNC2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
NCc1ccc(cc1)-n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12
Cc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Fc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
O=C(N1CCOCC1)c1nn([C@H]2CCCN(Cc3ccncc3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
COC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4cc(F)ccc4-c23)CC1 |r|
FC(F)(F)Oc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3C1CCCNC1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn([C@H]2CCCN(C2)c2cccnc2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
O=C(N1CCOCC1)c1nn(c-2c1CS(=O)(=O)c1nccn-21)-c1ccccc1
COCN1c2c(nn(c2-c2ccccc2S1(=O)=O)-c1ccccc1)C(=O)N1CCOCC1
CN1c2c(nn(c2-c2ccccc2S1(=O)=O)-c1ccccc1)C(=O)N1CCOCC1
O=C(N1CCOCC1)c1nn(c-2c1NS(=O)(=O)c1ccccc-21)-c1ccccc1