608 SMILES Strings for Ribosomal protein S6 kinase alpha-3

Compound Name
SMILES String
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1N
O=C(Nc1cccnc1)c1ccc2nc3C(=O)NCCCn3c2c1
Cn1c(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)nc2ccccc12
CCn1c(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)nc2ccccc12
CC(C)n1c(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)nc2ccccc12
Cc1ccnc(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)c1
O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2nc3C(=O)NCCCn3c2c1
Cc1nc(cs1)-c1cccc(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)c1
Fc1cccc(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)c1
NC(=O)c1ccccc1NC(=O)c1ccc2nc3C(=O)NCCCn3c2c1
Cn1cc(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)nc1C(=O)NC1CCCC1
CC(C)n1ncc2cc(NC(=O)c3ccc4nc5C(=O)NCCCn5c4c3)cnc12
O=C(Nc1cnc2ccccc2c1)c1ccc2nc3C(=O)NCCCn3c2c1
Cn1cc(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)cn1
Cn1cc(NC(=O)c2ccc3nc4C(=O)NCCC(C)(C)n4c3c2)cn1
CCn1c(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)nc2ccc(Cl)nc12
CN(C)CCCn1c(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)nc2ccccc12
CCn1c(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)nc2cccnc12
CC(C)n1c(NC(=O)c2ccc3nc4C(=O)NCCC(C)(C)n4c3c2)nc2ccccc12
O=C(Nc1cc(no1)-c1ccccc1)c1ccc2nc3C(=O)NCCCn3c2c1
Cc1cc(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)no1
CC(C)(C)c1cc(NC(=O)c2ccc3nc4C(=O)NCCCn4c3c2)no1
O=C(Nc1cccc(c1)-c1c[nH]cn1)c1ccc2nc3C(=O)NCCCn3c2c1
O=C(Nc1cnc2ccccc2c1)c1ccc2cc3C(=O)NCCCn3c2n1
Cc1nc(cs1)-c1cccc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)c1
Fc1cccc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)c1
NC(=O)c1ccccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2n1
O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCCn3c2n1
CCOC(=O)c1nc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)cn1C
CC(C)n1ncc2cc(NC(=O)c3ccc4cc5C(=O)NCCC(C)n5c4n3)cnc12
CC(C)n1ncc2cc(NC(=O)c3ccc4cc5C(=O)NCCCn5c4n3)cnc12
CC(C)n1ncc2cc(NC(=O)c3ccc4cc5C(=O)NCC(C)(C)Cn5c4n3)cnc12
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnc2n(ncc2c1)C1CCOCC1
O=C(Nc1cnc2n(ncc2c1)C1CCOCC1)c1ccc2cc3C(=O)NCCCn3c2n1
CC1(C)CNC(=O)c2cc3ccc(nc3n2C1)C(=O)Nc1cnc2n(ncc2c1)C1CCOCC1
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnc2n(CC3CCOC3)ncc2c1
O=C(Nc1cnc2n(CC3CCOC3)ncc2c1)c1ccc2cc3C(=O)NCCCn3c2n1
CC1(C)CNC(=O)c2cc3ccc(nc3n2C1)C(=O)Nc1cnc2n(CC3CCOC3)ncc2c1
Cc1ccnc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)c1
CC1(C)CNC(=O)c2cc3ccc(nc3n2C1)C(=O)Nc1cnc2ccccc2c1
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(C)c1
Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)cn1
Cn1cc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)cn1
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(c1)C(C)(C)C
CC(C)(C)n1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)cn1
CC(C)(C)n1cc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)cn1
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1
O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2cc3C(=O)NCCCn3c2n1
CC1(C)CNC(=O)c2cc3ccc(nc3n2C1)C(=O)Nc1cnn(Cc2ccccc2)c1
Clc1cc(CN2CCOCC2)c2[nH]c(NC(=O)c3ccc4cc5C(=O)NCCCn5c4n3)nc2c1
CC1(C)CNC(=O)c2cc3ccc(nc3n2C1)C(=O)Nc1nc2cc(Cl)ccc2[nH]1
Cn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)nc2ccccc12
Cn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)nc2ccccc12
CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)nc2ccccc12
CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)nc2ccccc12
CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)nc2ccccc12
CCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)nc2ccccc12
CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)nc2ccccc12
CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)nc2ccccc12
C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1 |r|
C[C@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1 |r|
C[C@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1 |r|
C[C@@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1 |r|
CC(C)n1ncc2cc(NC(=O)c3ccc4cc5C(=O)NC[C@H](C)n5c4n3)cnc12 |r|
C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnc2ccccc2c1 |r|
C[C@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnc2ccccc2c1 |r|
CC(C)n1ncc2cc(NC(=O)c3ccc4cc5C(=O)NC[C@@H](C)n5c4n3)cnc12 |r|
Clc1ccc2[nH]c(NC(=O)c3ccc4cc5C(=O)NCCCn5c4n3)nc2c1
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccncc2)c1
CCn1c(NC(=O)c2ccc3cc4C(=O)NCCC(C)n4c3n2)nc2ccccc12
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C
CCn1c(NC(=O)c2ccc3cc4C(=O)NC[C@H](C)n4c3n2)nc2ccccc12 |r|
CCn1c(NC(=O)c2ccc3cc4C(=O)NC[C@@H](C)n4c3n2)nc2ccccc12 |r|
CCn1c(NC(=O)c2ccc3cc4C(=O)N[C@H](C)[C@H](C)n4c3n2)nc2ccccc12 |r|
CCn1c(NC(=O)c2ccc3cc4C(=O)N[C@@H](C)[C@H](C)n4c3n2)nc2ccccc12 |r|
C[C@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
C[C@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
C[C@@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
CC(C)(C)c1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)no1
Cc1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)no1
O=C(Nc1cc(no1)-c1ccccc1)c1ccc2cc3C(=O)NCCCn3c2n1
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cc(C)on1
C[C@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cc(C)on1 |r|
C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cc(C)on1 |r|
C[C@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1cc(C)on1 |r|
C[C@@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1cc(C)on1 |r|
CC(C)(C)c1cc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)no1
CCc1cc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)no1
CC(C)c1cc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)no1
CC1(C)CNC(=O)c2cc3ccc(nc3n2C1)C(=O)Nc1cc(on1)C1CC1
Cc1cc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)no1
CC1(C)CNC(=O)c2cc3ccc(nc3n2C1)C(=O)Nc1cc(on1)-c1ccccc1
CC1(C)CNC(=O)c2cc3ccc(nc3n2C1)C(=O)Nc1cc(Cc2ccccc2)on1
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cc(Cc2ccccc2)on1
O=C(Nc1cc(Cc2ccccc2)no1)c1ccc2cc3C(=O)NCCCn3c2n1
CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cc(Cc2ccccc2)no1
C[C@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cc(Cc2ccccc2)on1 |r|
C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cc(Cc2ccccc2)on1 |r|
C[C@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1cc(Cc2ccccc2)on1 |r|
C[C@@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1cc(Cc2ccccc2)on1 |r|
CC1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cccnc1
CNC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3n2)n1
CC1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1nccs1
Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)nc1C(=O)NC1CCCC1
O=C(Nc1cccc(c1)-c1c[nH]cn1)c1ccc2cc3C(=O)NCCCn3c2n1
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
[#8]-c1ccc(-[#7]\[#7]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1
O=[#6]-1-[#7]-[#6](=O)\[#6](=[#7]\[#7]-c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6](=O)-[#7]-1
[#8]-c1ccc(-[#7]\[#7]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1
O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#7]/[#7]-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C
CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
CN1CCN(CC1(C)C)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CN1CCN(CC1)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CN1CC(C1)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CN1CCN(C(Cc2ccccc2)C1)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NC1CCN(Cc2ccccc2)C1
CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
CN(C)CCNC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CN1CCC(C1)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCC1CCN(Cc2ccccc2)C1
Cn1cncc1CNC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CN(C)[C@@H]1CCCC[C@H]1NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCc1cocn1
CN1CCC(CC1)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCCO
CC1(C)N(Cc2nc(Nc3ccccc3)nc(C3CCOCC3)c12)C(N)=O
CN(C)Cc1ccccc1CNC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
O=C(Nc1ccc2[nH]cc(CN3CCOCC3)c2c1)c1cnn(Cc2ccccc2)c1
O=C(Nc1ccc2c(CN3CCOCC3)c[nH]c2c1)c1cnn(Cc2ccccc2)c1
CN1CCN(Cc2c[nH]c3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc23)CC1
CN1CCN(Cc2c[nH]c3cc(NC(=O)c4cnn(Cc5ccccc5)c4)ccc23)CC1
O=C(Nc1ccc2scc(CN3CCOCC3)c2c1)c1cnn(Cc2ccccc2)c1
O=C(Nc1ccc2scc(CN3CCNCC3)c2c1)c1cnn(Cc2ccccc2)c1
O=C(Nc1ccc2c(CN3CCOCC3)coc2c1)c1cnn(Cc2ccccc2)c1
O=C(Nc1ccc2occ(CN3CCOCC3)c2c1)c1cnn(Cc2ccccc2)c1
O=C(Nc1ccc2occ(CN3CCNCC3)c2c1)c1cnn(Cc2ccccc2)c1
O=C(Nc1ccc2c(CN3CCNCC3)coc2c1)c1cnn(Cc2ccccc2)c1
C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3n12 |r|
O=C(Nc1ccc2cc3C(=O)NCCn3c2c1)c1cnn(Cc2ccccc2)c1
CN1CCc2oc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3c2C1
CN1CCc2[nH]c3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3c2C1
C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2cccc(N)c2)c1 |r|
C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2N)c1 |r|
C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1 |r|
C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5cccc(N)c5)c4)nc3n12 |r|
C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(CC2CCN(C)CC2)c1 |r|
C[C@@H]1CNC(=O)c2cc3cc(NC(=O)c4cnn(Cc5ccccc5)c4)ccc3n12 |r|
C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)nc3n12 |r|
Oc1c(F)cc(Nc2ncc3nc[nH]c3n2)cc1F
CC(C)CCn1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(cc4)N4CCOCC4)c3n2)cc1F
Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(CCN5CCOCC5)cc4)c3n2)cc1F
Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(cc4)-c4ccccc4)c3n2)cc1F
Oc1c(F)cc(Nc2ncc3ncn(-c4cccc(Oc5ccccc5)c4)c3n2)cc1F
Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(Oc5ccccc5)cc4)c3n2)cc1F
Oc1c(F)cc(Nc2ncc3ncn(-c4cccc(OCc5ccccc5)c4)c3n2)cc1F
Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(OCc5ccccc5)cc4)c3n2)cc1F
Oc1cccc(c1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Oc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
COC(=O)CCc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1O[C@H]1CCNC1 |r,wU:28.31,(10.88,-23.43,;12.42,-23.43,;13.19,-22.09,;12.42,-20.76,;13.19,-19.42,;14.73,-19.43,;15.5,-18.1,;17.04,-18.1,;17.95,-16.86,;19.41,-17.33,;20.74,-16.56,;22.07,-17.32,;22.08,-18.87,;20.74,-19.65,;20.75,-21.19,;19.42,-21.96,;18.08,-21.18,;19.42,-23.49,;20.75,-24.27,;22.09,-23.49,;22.08,-21.95,;23.41,-21.18,;24.75,-21.94,;19.41,-18.87,;17.94,-19.35,;15.5,-20.76,;14.73,-22.09,;15.51,-23.42,;14.74,-24.76,;15.37,-26.16,;14.23,-27.2,;12.89,-26.43,;13.21,-24.92,)|
COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc(OC)c1OC |(15.44,-24.81,;16.21,-23.48,;15.43,-22.15,;16.2,-20.81,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.44,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.54,;22.78,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;13.89,-19.48,;13.12,-20.81,;11.58,-20.81,;10.81,-19.47,;13.89,-22.15,;13.12,-23.48,;11.58,-23.48,)|
COc1ccccc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
COc1ccc(F)cc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
COc1cc(Nc2nc3cccc(-c4ccc(C)cc4OC)c3o2)cc(OC)c1OC
COc1cc(Nc2nc3cccc(-c4cccc5cn[nH]c45)c3o2)cc(OC)c1OC
COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1OC |(11.58,-23.48,;13.12,-23.48,;13.89,-22.15,;13.12,-20.81,;13.89,-19.48,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.45,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.55,;22.79,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;16.2,-20.81,;15.44,-22.15,;16.21,-23.48,;15.44,-24.81,)|
COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc(OC)c1 |(10.81,-19.47,;11.58,-20.81,;13.12,-20.81,;13.89,-19.48,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.45,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.55,;22.79,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;16.2,-20.81,;15.44,-22.15,;16.21,-23.48,;15.44,-24.81,;13.89,-22.15,)|
COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1N |(11.58,-23.49,;13.12,-23.49,;13.89,-22.16,;13.12,-20.82,;13.9,-19.49,;15.44,-19.49,;16.21,-18.16,;17.75,-18.16,;18.66,-16.92,;20.12,-17.4,;21.45,-16.62,;22.78,-17.38,;22.79,-18.93,;21.45,-19.71,;21.46,-21.25,;20.13,-22.02,;18.79,-21.25,;20.12,-23.56,;21.46,-24.33,;22.8,-23.55,;22.79,-22.02,;24.12,-21.24,;25.46,-22,;20.12,-18.94,;18.65,-19.41,;16.21,-20.82,;15.44,-22.15,;16.21,-23.49,)|
COc1cc(Nc2nc3cccc(-c4ccccc4F)c3o2)cc(OC)c1OC
COc1cccc(F)c1-c1cccc2nc(Nc3cccc(c3)S(N)(=O)=O)oc12 |(25.47,-22.01,;24.13,-21.25,;22.8,-22.02,;22.81,-23.56,;21.47,-24.34,;20.13,-23.57,;20.13,-22.03,;18.8,-21.25,;21.47,-21.26,;21.46,-19.72,;22.8,-18.94,;22.79,-17.39,;21.45,-16.62,;20.13,-17.4,;18.66,-16.92,;17.75,-18.17,;16.21,-18.17,;15.44,-19.5,;16.21,-20.83,;15.45,-22.16,;13.9,-22.16,;13.13,-20.83,;13.9,-19.49,;11.59,-20.82,;10.82,-19.49,;11.98,-22.31,;10.24,-21.58,;18.66,-19.41,;20.12,-18.94,)|
COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)c1 |(6.37,-11.94,;7.13,-10.6,;6.36,-9.27,;4.81,-9.27,;4.04,-7.94,;4.82,-6.6,;6.36,-6.61,;7.13,-5.28,;8.67,-5.28,;9.58,-4.03,;11.04,-4.51,;12.37,-3.74,;13.71,-4.5,;13.71,-6.05,;12.38,-6.82,;12.37,-8.36,;11.04,-9.13,;9.71,-8.36,;11.04,-10.67,;12.37,-11.44,;13.71,-10.66,;13.71,-9.13,;15.04,-8.35,;16.38,-9.11,;11.04,-6.05,;9.57,-6.53,;7.13,-7.94,)|
CCOc1cccc(F)c1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 |(22.28,-22.22,;20.95,-23,;19.61,-22.24,;18.28,-23.01,;18.29,-24.55,;16.95,-25.33,;15.61,-24.55,;15.61,-23.01,;14.28,-22.24,;16.95,-22.25,;16.94,-20.71,;18.28,-19.93,;18.27,-18.38,;16.94,-17.62,;15.61,-18.39,;14.15,-17.92,;13.24,-19.16,;11.7,-19.16,;10.93,-20.49,;11.7,-21.82,;10.93,-23.15,;11.7,-24.48,;10.94,-25.82,;9.38,-23.15,;8.61,-24.48,;7.07,-24.48,;8.61,-21.81,;7.07,-21.81,;6.31,-20.48,;9.39,-20.48,;14.14,-20.4,;15.61,-19.93,)|
COc1cc(Nc2nc3cccc(-c4nc(C)[nH]c4C)c3o2)cc(OC)c1OC
COc1cccc(F)c1-c1cccc2nc(NC3CCCCC3)oc12 |(17.2,-8.09,;15.86,-7.32,;14.53,-8.1,;14.54,-9.64,;13.2,-10.41,;11.86,-9.64,;11.87,-8.1,;10.53,-7.33,;13.2,-7.34,;13.2,-5.8,;14.54,-5.02,;14.53,-3.47,;13.2,-2.71,;11.87,-3.48,;10.4,-3.01,;9.5,-4.25,;7.96,-4.25,;7.18,-5.58,;5.64,-5.58,;4.87,-6.91,;5.64,-8.25,;7.19,-8.24,;7.95,-6.91,;10.4,-5.5,;11.86,-5.02,)|
COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)n1 |(6.31,-22.33,;7.08,-20.99,;6.3,-19.66,;4.75,-19.67,;3.99,-18.33,;4.76,-17,;6.3,-17,;7.07,-15.67,;8.61,-15.67,;9.52,-14.43,;10.98,-14.91,;12.31,-14.13,;13.64,-14.9,;13.65,-16.45,;12.31,-17.22,;12.31,-18.76,;10.98,-19.52,;9.65,-18.75,;10.98,-21.06,;12.31,-21.83,;13.65,-21.05,;13.64,-19.52,;14.97,-18.74,;16.31,-19.51,;10.98,-16.45,;9.51,-16.92,;7.07,-18.33,)|
CCOc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)c1 |(7.08,-23.66,;6.31,-22.33,;7.08,-21,;6.3,-19.66,;4.75,-19.67,;3.99,-18.33,;4.76,-17,;6.3,-17,;7.07,-15.67,;8.61,-15.67,;9.52,-14.43,;10.98,-14.91,;12.31,-14.13,;13.64,-14.9,;13.65,-16.45,;12.31,-17.22,;12.31,-18.76,;10.98,-19.52,;9.65,-18.75,;10.98,-21.06,;12.31,-21.83,;13.65,-21.05,;13.64,-19.52,;14.97,-18.74,;16.31,-19.51,;10.98,-16.45,;9.51,-16.92,;7.07,-18.33,)|
COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC(C)C)c3o2)cc(OC)c1OC |(10.96,-25.92,;11.73,-24.58,;10.95,-23.25,;11.72,-21.92,;10.95,-20.59,;11.72,-19.26,;13.26,-19.26,;14.17,-18.02,;15.63,-18.49,;16.96,-17.72,;18.29,-18.48,;18.3,-20.03,;16.96,-20.81,;16.97,-22.35,;15.64,-23.11,;14.3,-22.34,;15.64,-24.65,;16.97,-25.43,;18.31,-24.65,;18.3,-23.11,;19.63,-22.34,;20.97,-23.1,;22.3,-22.32,;20.98,-24.64,;15.63,-20.03,;14.16,-20.51,;9.41,-20.58,;8.64,-21.91,;7.1,-21.91,;6.33,-20.58,;9.41,-23.25,;8.64,-24.58,;7.1,-24.58,)|
COc1cccc(F)c1-c1cccc2nc(Nc3ccccc3)oc12 |(17.2,-8.09,;15.86,-7.32,;14.53,-8.1,;14.54,-9.64,;13.2,-10.41,;11.86,-9.64,;11.87,-8.1,;10.53,-7.33,;13.2,-7.34,;13.2,-5.8,;14.54,-5.02,;14.53,-3.47,;13.2,-2.71,;11.87,-3.48,;10.4,-3.01,;9.5,-4.25,;7.96,-4.25,;7.18,-5.58,;5.64,-5.58,;4.87,-6.91,;5.64,-8.25,;7.19,-8.24,;7.95,-6.91,;10.4,-5.5,;11.86,-5.02,)|
COc1ccc(C)cc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
COc1cccc(OC)c1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 |(21.55,-22.88,;20.22,-22.11,;18.89,-22.89,;18.89,-24.42,;17.55,-25.2,;16.22,-24.43,;16.22,-22.89,;14.89,-22.12,;13.55,-22.89,;17.55,-22.13,;17.55,-20.58,;18.88,-19.81,;18.88,-18.26,;17.54,-17.49,;16.21,-18.27,;14.75,-17.79,;13.85,-19.03,;12.31,-19.03,;11.53,-20.37,;12.3,-21.69,;11.54,-23.02,;12.31,-24.36,;11.54,-25.69,;9.99,-23.03,;9.22,-24.36,;7.68,-24.36,;9.22,-21.69,;7.68,-21.69,;6.91,-20.35,;9.99,-20.36,;14.75,-20.28,;16.21,-19.81,)|
COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1 |(11.58,-23.5,;13.13,-23.5,;13.9,-22.16,;13.13,-20.83,;13.9,-19.49,;15.44,-19.5,;16.21,-18.17,;17.75,-18.17,;18.66,-16.92,;20.13,-17.4,;21.45,-16.62,;22.79,-17.39,;22.8,-18.94,;21.46,-19.72,;21.47,-21.26,;20.13,-22.03,;18.8,-21.25,;20.13,-23.57,;21.47,-24.34,;22.81,-23.56,;22.8,-22.02,;24.13,-21.25,;25.47,-22.01,;20.12,-18.94,;18.66,-19.41,;16.21,-20.83,;15.45,-22.16,)|
COc1cccc(F)c1-c1cccc2nc(N)oc12 |(16.32,-19.52,;14.99,-18.76,;13.65,-19.53,;13.66,-21.07,;12.32,-21.85,;10.98,-21.08,;10.99,-19.54,;9.65,-18.76,;12.32,-18.77,;12.32,-17.23,;13.66,-16.46,;13.65,-14.91,;12.32,-14.14,;10.99,-14.92,;9.52,-14.44,;8.62,-15.68,;7.08,-15.68,;9.52,-16.93,;10.99,-16.46,)|
COc1cccc(F)c1-c1cccc2nc(NC3CCOCC3)oc12 |(17.2,-8.09,;15.86,-7.32,;14.53,-8.1,;14.54,-9.64,;13.2,-10.41,;11.86,-9.64,;11.87,-8.1,;10.53,-7.33,;13.2,-7.34,;13.2,-5.8,;14.54,-5.02,;14.53,-3.47,;13.2,-2.71,;11.87,-3.48,;10.4,-3.01,;9.5,-4.25,;7.96,-4.25,;7.18,-5.58,;5.64,-5.58,;4.87,-6.91,;5.64,-8.25,;7.19,-8.24,;7.95,-6.91,;10.4,-5.5,;11.86,-5.02,)|
COc1cc(Nc2nc3cccc(-c4ccccc4OC(F)(F)F)c3o2)cc(OC)c1OC
COc1cc(Nc2nc3cccc(-c4ccccc4-c4cn[nH]c4)c3o2)cc(OC)c1OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3c2)nc2ccccc12
Cn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
C[C@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2cccnc12
CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccc(Cl)cc12
CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccc(Cl)cc12
CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2cc(Cl)ccc12
CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
O=C(Nc1cc(no1)-c1ccccc1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1cc(Cc2ccccc2)no1)c1ccc2cc3C(=O)NCCCn3c2c1
Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cn1
O=C(Nc1cnn(CC2CCCCC2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
Cc1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)on1
O=C(Nc1cc(no1)C1CC1)c1ccc2cc3C(=O)NCCCn3c2c1
CC(C)c1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)on1
O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc2cc3C(=O)NCCCn3c2c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
[O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12 |w:14.15|
O=C1Nc2ccccc2\C1=C\c1ccco1
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O
CC(=O)O[C@H]1CC[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(C)=O |r|
C[C@@H]1C[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r|
C[C@@H]1C[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r|
C[C@@H]1C[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
COCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2O)c2cccnc12 |t:8|
Cc1ccc(cc1)-c1cn(CCCO)c2ncnc(N)c12
Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12
CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)|
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Cc1cccc(c1)-c1ccncc1-c1cc(F)c(O)c(F)c1
CC(C)c1ccncc1-c1cc(F)c(O)c(F)c1
Oc1c(F)cc(cc1F)-c1cnccc1C1CCNCC1
Oc1c(F)cc(cc1F)-c1cnccc1C1CCOCC1
Oc1c(F)cc(cc1F)-c1cnccc1-c1ccccc1
Oc1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1
Oc1ccc(cc1)-c1ccncc1-c1ccc(O)cc1
Oc1ccc(cc1)-c1cn[nH]c1-c1cc(F)c(O)c(F)c1
Nc1n[nH]c(c1-c1ccccc1)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cn[nH]c1-c1ccccc1
Oc1ccc(cc1)-c1[nH]ncc1-c1ccccc1
Oc1ccc(cc1)-c1cn[nH]c1-c1ccc(O)cc1
C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C
CC(C)Nc1ncc(-c2cc(F)c(O)c(F)c2)c(n1)-c1ccc(cc1)N1CCN(C)CC1
CC(C)Nc1ncc(-c2cc(F)c(O)c(F)c2)c(n1)-c1ccc(C)cc1
CNc1ncc(-c2cc(F)c(O)c(F)c2)c(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-c1nc(N)ncc1-c1cc(F)c(O)c(F)c1
CN1CCN(CC1)c1ccc(cc1)-c1cc(Nc2ccc(C)cc2)ncc1-c1cc(F)c(O)c(F)c1
CC(C)CNc1cc(-c2ccc(cc2)N2CCN(C)CC2)c(cn1)-c1cc(F)c(O)c(F)c1
CNc1cc(-c2ccc(cc2)N2CCN(C)CC2)c(cn1)-c1cc(F)c(O)c(F)c1
CN1CCN(CC1)c1ccc(cc1)-c1cc(N)ncc1-c1cc(F)c(O)c(F)c1
Oc1c(Cl)cc(cc1Cl)-c1cnccc1-c1ccc(F)cc1
COc1ccc(cn1)-c1ccncc1-c1cc(F)c(O)c(F)c1
Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(cc1)N1CCOCC1
CN1CCN(CC1)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1
Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(cc1)N1CCNCC1
CNC(=O)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1
COc1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1
Cc1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1
Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(F)cc1
CN1CCN(CC1)c1cccc(c1)-c1ccncc1-c1cc(F)c(O)c(F)c1
Oc1c(F)cc(cc1F)-c1cnccc1-c1cccc(c1)N1CCOCC1
Oc1c(F)cc(cc1F)-c1cnccc1-c1cccc(c1)-c1cn[nH]c1
NCCOc1cccc(c1)-c1ccncc1-c1cc(F)c(O)c(F)c1
COc1cccc(c1)-c1ccncc1-c1cc(F)c(O)c(F)c1
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C+]1C=C(C)C2=Cc3ccc(CCC(=O)NCCCCCC(=O)NCCCCNC(=O)OCCCn4c(C(=O)CF)c(-c5ccc(C)cc5)c5c(N)ncnc45)n3[B-](F)(F)C12 |t:2,5|
Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCNCC#N)c2ncnc(N)c12
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO
CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F
CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F
Cc1c(N)ccc2nc([nH]c12)-c1ccc(N)cc1
Oc1ccc(NCn2nnc3ccccc23)cc1
O=C1N(CNc2ccc(cc2)N2CCOCC2)C(=O)c2ccccc12
Cc1cc(N)cc2[nH]c(nc12)-c1ccccc1
Cc1ccc2nc(oc2c1)-c1cc(N)cc(C)c1O
Oc1ccc(cc1)N=Nc1c(O)[nH]c(=O)[nH]c1=O |w:8.9|
Clc1ccc2N=C(NSc2c1)c1ccccc1 |c:5|
Oc1ccccc1NC(=O)c1cnns1
OC(=O)c1ccc(cc1)N=Nc1ccc(O)c2ncccc12 |w:9.9|
Nc1n[nH]c(N)c1\N=N\c1ccc(cc1)S(N)(=O)=O
Oc1nc(N=Nc2ccccc2)[nH]c1C#N |w:5.5|
Nc1nc2[nH]c(=O)[nH]c(=O)c2s1
FC(F)(F)c1ccc(NNC(=O)c2ccccc2Cl)nc1
Oc1ccc(cc1)-c1cnc2c(n1)[nH]c(=O)[nH]c2=O
Cc1c(C)c(ccc1O)N=Nc1ccc(cc1)S(O)(=O)=O |w:9.9|
COc1cc(\C=N\n2cnnc2)cc(I)c1O
CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(Cl)sc1Cl
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)C#N
NC(=N)N\N=C/c1c(nc2sc(F)cn12)-c1ccc(cc1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1cc(Cl)sc1Cl
COc1cc(c(OC)cc1-c1nc2sc3ccccc3n2c1\C=N\[NH+]=C(\N)[NH-])[N+]([O-])=O
COc1cc(c(OC)cc1-c1nc2ccccn2c1C=N[NH+]=C(N)[NH-])[N+]([O-])=O |w:19.21,21.23|
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)[N+]([O-])=O
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(nc2ccccn12)-c1ccc(Cl)c(c1)-[#7+](-[#8-])=O |w:5.5|
NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(N)cc1
NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
COc1cc(c(OC)cc1-c1nc2sccn2c1\C=N\NC(N)=N)[N+]([O-])=O
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(cc1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cccc(c1)[N+]([O-])=O
CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
COc1cc(c(OC)cc1-c1nc2sc(Cl)cn2c1\C=N\NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(OC)c(cc1OC)[N+]([O-])=O)[N+]([O-])=O
CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)cc1
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)cc1
Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)c(c1)[N+]([O-])=O
Clc1cc(c(Cl)s1)-c1nc2sc(Cl)cn2c1\C=N\NC1=NCCN1 |t:22|
Cc1nn2c(\C=N\NC3=NCCN3)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O |t:8|
Clc1cc(c(Cl)s1)-c1nc2sc3ccccc3n2c1\C=N\NC1=NCCN1 |t:26|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(nc2ccccn12)-c1cc(Cl)sc1Cl |w:5.5|
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccccc1
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)cc1
Cc1nn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(Cl)sc1Cl
COc1cc(c(OC)cc1-c1nc2sc(C)nn2c1\C=N/NC(N)=N)[N+]([O-])=O
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)cc1
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccccc1F
NC(=N)N\N=C/c1c(nc2sccn12)-c1c(F)cccc1F |(-8.3,-22.83,;-6.76,-22.81,;-6,-21.47,;-5.97,-24.14,;-4.43,-24.12,;-3.65,-25.45,;-4.15,-26.91,;-3.26,-28.17,;-4.19,-29.4,;-5.64,-28.9,;-7.11,-29.36,;-8,-28.1,;-7.08,-26.86,;-5.62,-27.36,;-1.72,-28.18,;-.97,-29.52,;-1.75,-30.85,;.57,-29.54,;1.36,-28.21,;.59,-26.87,;-.94,-26.86,;-1.71,-25.52,)|
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)c(F)c1
NC(=N)N\N=C/c1c(nc2sccn12)-c1cc(F)c(F)cc1F
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)c(c1)[N+]([O-])=O
NC(=N)N\N=C/c1c(nc2sccn12)-c1cccc(c1F)[N+]([O-])=O
NC(=N)N\N=C/c1c(nc2sccn12)-c1cccc(c1)C(F)(F)F
Clc1cc(c(Cl)s1)-c1nc2ccccn2c1-[#6]=[#7]\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1 |w:16.18|
Cc1cn2c(\C=N\NC(=N)NN)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sccn12)-c1cccc(c1)[N+]([O-])=O
Cc1cn2c(\C=N\NC3=[NH+]CC[N-]3)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O |t:8|
CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(Cl)sc1Cl
Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(Cl)sc1Cl
CCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Cc1nn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1cccnc1
Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1cccnc1
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(Br)c(c1)[N+]([O-])=O
Cc1noc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)c1C
O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCCn3c2c1
CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1
CC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1cccnc1 |w:1.0|
O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCn3c2c1
CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1
CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1
C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cccnc1 |r|
O=C(Nc1ccccc1)c1ccc2cc3C(=O)NCCCn3c2c1
NC(=O)c1ccccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1ccncc1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1ccccn1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(NCc1cccnc1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1ncc[nH]1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1cn[nH]c1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1cnc2ccccc2c1)c1ccc2cc3C(=O)NCCCn3c2c1
CC(C)n1ncc2cc(NC(=O)c3ccc4cc5C(=O)NCCCn5c4c3)cnc12
O=C(Nc1ccc2ccccc2n1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1nc2ccccc2o1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1nc2ccccc2[nH]1)c1ccc2cc3C(=O)NCCCn3c2c1
NCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1cccnc1 |w:2.1|
C[C@@H]1CNC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cccnc1 |r|
C[C@@H]1CNC(=O)c2cc3ccc(cc3n2[C@H]1C)C(=O)Nc1cccnc1 |r|
CC1(C)CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1cccnc1
FC1(F)CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1cccnc1
O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCC4(CC4)Cn3c2c1
O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCC4(CCC4)Cn3c2c1
O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCC4(CCOCC4)Cn3c2c1
CC1CCn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1
C[C@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cccnc1 |r|
CC1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 |w:1.0|
NC[C@@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 |r|
O=C(NC1CCCCC1)c1ccc2cc3C(=O)NCCCn3c2c1
Clc1ccccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1
COc1ccccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1ncccn1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1cccc(c1)-c1c[nH]cn1)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1nccs1)c1ccc2cc3C(=O)NCCCn3c2c1
Cn1ccnc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1
Cn1ccc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)n1
O=C(Nc1ccn[nH]1)c1ccc2cc3C(=O)NCCCn3c2c1
Cn1nccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1
O=C(Nc1nc2ccccc2s1)c1ccc2cc3C(=O)NCCCn3c2c1
Clc1ccc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cc1
Clc1cccc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)c1
NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)OC(C)(C)C)n(CCCO)c2ncnc(N)c12
Cc1ccc(cc1)-c1c(\C=C\C#N)n(CCCO)c2ncnc(N)c12
COC(=O)\C=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO
CC(C)NC(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N
c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12
CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(Br)c23)c1C
CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(c23)C(F)(F)F)c1C
CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OCC(C)=O)[C@H]1OCC(C)=O |r|
CCNC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(=O)NCC |r|
CCCNC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(=O)NCCC |r|
CCC(C)NC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(=O)NC(C)CC |r|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(=O)N(C)C)[C@H]1OC(=O)N(C)C |r|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(=O)N2CCCC2)[C@H]1OC(=O)N1CCCC1 |r|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(=O)N2CCOCC2)[C@H]1OC(=O)N1CCOCC1 |r|
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccs4)c3)sn2)C1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cccc(F)c2F)c1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4F)c3)sn2)C1
COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC(C)(C)C)n(CCCO)c2ncnc(N)c12
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1
CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r|
CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r|
CC(C)C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
CC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
CCc1cccc2C(C(=O)Nc12)=C1SC(=S)NC1=O |w:7.6|
Cc1cccc2C(C(=O)Nc12)=C1SC(=S)NC1=O |w:6.5|
Fc1ccc2NC(=O)C(=Cc3c[nH]nc3-c3ccccc3)c2c1 |w:9.9|
O=C1Nc2ccccc2C1=Cc1c[nH]nc1-c1ccccc1 |w:10.12|
Nc1ccc2NC(=O)\C(=C\c3ccco3)c2c1
Brc1ccc2NC(=O)\C(=C\c3ccco3)c2c1
Clc1ccc2NC(=O)\C(=C\c3ccco3)c2c1
COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5
CN(C1COC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CN1CCN(CC1)c1ccc(cc1)-c1c(cnc2[nH]ccc12)-c1ccc(cc1)C(F)F
Oc1c(F)cc(cc1F)-c1cnc2[nH]ccc2c1-c1ccc(cc1)N1CCOCC1
CN1CCN(CC1)c1ccc(cc1)-c1c(cnc2[nH]ccc12)-c1ccc(F)cc1
CN1CCN(CC1)c1ccc(cc1)-c1c(cnc2[nH]ccc12)-c1cc(F)cc(F)c1
COc1c(F)cc(cc1F)-c1cnc2[nH]ccc2c1-c1ccc(cc1)N1CCN(C)CC1
CN1CCN(CC1)c1ccc(cc1)-c1c(cnc2[nH]ccc12)-c1cn[nH]c1
CN1CCN(CC1)c1ccc(cc1)-c1c(cnc2[nH]ccc12)-c1cc(F)c(O)c(F)c1
CN1CCN(CC1)c1ccc(cc1)-c1c(cnc2[nH]ccc12)-c1ccnc(F)c1
Cc1ccc(cc1)-c1c(cnc2[nH]ccc12)-c1cc(F)c(O)c(F)c1
CN1CCN(CC1)c1ccc(cc1)-c1c(cnc2[nH]ccc12)-c1ccc(N)nc1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc[nH]2)[C@@H](O)[C@H]1O |r|
O[C@@H]1[C@@H](COC(=O)c2ccc[nH]2)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)c2ccc[nH]2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2cc[nH]c2)[C@@H](O)[C@H]1O |r|
O[C@@H]1[C@@H](COC(=O)c2cc[nH]c2)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)c2cc[nH]c2)[C@@H](O)[C@H]1O |r|
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3ccc(CO)cc3)nc12
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3ccc(O)cc3)nc12
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3ccc(O)c(F)c3)nc12
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3ccc(O)c(Cl)c3)nc12
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3ccc(O)c(Br)c3)nc12
CC(C)CCN1C(C)C(=O)Nc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
CC(C)CCN1CC(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
CC(C)CCN1CC(=O)Nc2cnc(Nc3ccc(O)c(F)c3)nc12
CC(C)CCN1CC(=O)Nc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
CC(C)CCN1CC(=O)N(C)c2cnc(Nc3ccc(O)c(F)c3)nc12
Nc1cccc2cc[nH]c(=O)c12
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
COC(=O)CCCc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
CC(C)CCn1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Oc1c(F)cc(Nc2ncc3ccn(-c4ccc(cc4)N4CCOCC4)c3n2)cc1F
CN1CCN(CC1)c1ccc(cc1)-n1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
NC(=O)C(=C/c1cccc(c1)-c1ncnc2[nH]ccc12)\C#N
NC(=O)C(=C\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N
CCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N
CCC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O |r|
O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23
c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-1-[#6](=O)-[#6](=O)-c2ccccc2-[#6]-1=O
CCCNC(=O)O[C@H]1[C@H](CCC)C[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(=O)NCCC |r|
CCC[C@@H]1C[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Cc1ccc(cc1)-c1c(C(=O)CCl)n(CCCO)c2ncnc(N)c12
COC(=O)/C=C/C(=O)OC
c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
Cc1cc(CN2C(=O)[C@H](C)N(C)c3nc(Nc4cc(F)c(O)c(F)c4)ncc32)on1
C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC