290 SMILES Strings for Mitogen-activated protein kinase kinase kinase 7

Compound Name
SMILES String
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(CC#N)cc1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(CO)cc1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(N)cc1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(O)cc1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(OC(F)(F)F)cc1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(cc1)C#N
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(cc1)S(C)(=O)=O
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(CN)c1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(CO)c1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(N)c1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(O)c1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(OC(F)(F)F)c1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C#N
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(C)=O
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(F)(F)F
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(N)=O
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)S(C)(=O)=O
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)[N+]([O-])=O
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ccccc12
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2cnsc12
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C#N
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C(C)=O
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C(N)=O
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CC#N
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CO
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cn(C)c2cnccc12
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cn[nH]c1
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2ccccc12
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1
CC(=O)Nc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
CC(C)(C)C(=O)Nc1ccc2n([C@@H]3CC[C@H](CO)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r,wD:12.11,15.15,(-7.45,.88,;-6.39,1.5,;-7.46,2.11,;-6.4,2.74,;-5.05,.74,;-5.04,-.49,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;3.36,-7.18,;4.54,-7.52,;1.5,-5.26,;1.13,-3.76,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Oc1c(NC(=O)c2csc3c2nc[nH]c3=O)cccc1C(=O)N1CCN(C)CC1
CC(C)c1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccc3cn2)n1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc(cn2)-c2ccn(C)n2)n1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccccn2)n1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnc3ccccc3n2)n1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncc3[nH]cnc3n2)n1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncc3ccccc3n2)n1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncnc3ccccc23)n1
CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(F)Oc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1Cl
CCC(=O)Nc1ccccc1Oc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1Cl
CCC(=O)Nc1ccccc1Oc1nc(Nc2cnn(CCOC)c2)ncc1Cl
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCN(C)c1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCc1cc(Nc2ncc(F)c(n2)-c2cnc3cccnn23)cc(OCCN2CCC(O)CC2)c1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CN(C)S(=O)(=O)c1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
CN(C)c1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(Br)c1
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(C)c1
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(Cl)c1
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(F)c1
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(OC(C(F)(F)F)C(F)(F)F)c1
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(c1)-c1ccccc1
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(c1)C1CCCCC1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(Oc3ccc(NC(=O)C=C)cc3)c3cc[nH]c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(-c3cccs3)c(Nc3ccccc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(-c3ccoc3)c(Nc3ccccc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Oc3ccccc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(C3CC3)c(Oc3ccccc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccc(NC(C)=O)cc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)CCl)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccc(NC(C)=O)cc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)CCl)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Sc3ccccc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)-c2ccc(Oc3ccccc3)cc2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)-c2ccc(cc2)C(C)=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccc4NC(=O)C=C)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2nccc(Oc3ccccc3NC(=O)C=C)n2)cc1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(CC1)c1cccc2cc(NC(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)cc3)ccc12
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
COC(=O)c1c(OC)cc(OC)cc1\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C=C/C |r|
COC(=O)c1c(OC)cc(OC)cc1\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C=C\C |r|
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COC1=CC(=O)C2=C(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)C1(F)F |r,c:17,t:2,6,8|
COC1=CC(O)C2=C(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)C1(F)F |r,c:17,t:2,6,8|
COCCN1CCN(Cc2ccc(cc2)-c2cc(NC(N)=O)c(s2)C(N)=O)CC1
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COCCOc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1
COCc1ccccc1-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
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|
COc1c(Br)c(O)c2c(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)c1Br |r,c:18,t:9|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3cc(Br)c[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc(Br)[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(O)c2c(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)c1Br |r,c:17,t:8|
COc1cc(O)c2c(c1)[C@@H]1O[C@H]1C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |c:21|
COc1cc(O)c2c(c1)\C=C\CC1CCCC(C[C@H](C)OC2=O)O1 |r,t:10|
COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)C=CC[C@H](C)OC2=O |w:19.20,t:10|
COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O |r,t:10|
COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10|
COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@@H](O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
COc1cc(O)cc2CC(=O)\C=C\CCCCC[C@H](C)OC(=O)c12 |r,t:11|
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
COc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)NCCCN1CCN(C)CC1
COc1cc(ccc1NC(=O)c1csc2cncnc12)C(=O)N1CCN(C)CC1
COc1cc(ccc1NC(=O)c1csc2cncnc12)C(=O)NCCCN1CCN(C)CC1
COc1cc(ccc1NC(=O)c1csc2cncnc12)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2OC(=O)C=C)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc2\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c2c(O)c1Br |r,c:14,t:5|
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
COc1ccc(cn1)-c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1Nc1ccccc1NC(=O)C=C
COc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
COc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1ccccc1NC(=O)C=C
COc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
CSc1ccc(cc1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
CSc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
CSc1ccccc1-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1 |r|
C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1 |r|
C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cnc3ccccc3n2)n1 |r|
C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2ncc3ccccc3n2)n1 |r|
C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1 |r|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1c(cnn1C)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1Oc1ccncc1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
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,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nn(C)c(C)c1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 |(38.02,-42,;38.92,-43.24,;40.46,-43.24,;40.94,-44.71,;42.4,-45.18,;39.69,-45.61,;39.69,-47.15,;38.45,-44.71,;36.98,-45.18,;36.66,-46.68,;35.2,-47.16,;34.06,-46.13,;32.59,-46.6,;34.38,-44.63,;33.47,-43.39,;34.38,-42.15,;35.84,-42.62,;35.84,-44.16,;33.91,-40.68,;34.82,-39.42,;33.91,-38.17,;32.43,-38.65,;31.1,-37.88,;29.77,-38.66,;29.77,-40.2,;31.1,-40.97,;32.44,-40.2,)|
Cc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C
Clc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C
Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1
Cn1cc(c(n1)C#N)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1
FC(F)n1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r|
Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)|
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc2cnc(cn2n1)-c1ccccc1
Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(-c3cncs3)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.62,-24.57,;11.08,-24.1,;12.22,-25.13,;13.69,-24.65,;14,-23.16,;15.47,-22.68,;15.95,-21.22,;17.49,-21.22,;17.96,-22.68,;16.72,-23.59,;19.43,-23.16,;19.74,-24.67,;21.2,-25.15,;22.35,-24.12,;23.81,-24.61,;22.03,-22.62,;20.56,-22.13,;12.87,-22.13,;12.87,-20.59,;14.12,-19.69,;14.12,-18.15,;15.58,-17.67,;16.49,-18.92,;15.58,-20.16,;11.4,-20.12,;10.5,-21.37,;11.41,-22.6,;10.94,-18.65,;11.98,-17.52,;11.51,-16.05,;10,-15.72,;8.96,-16.86,;7.42,-16.86,;6.95,-18.33,;8.19,-19.23,;9.44,-18.33,)|
Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C#N)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.34,-10.13,;48.81,-9.66,;49.94,-10.69,;51.41,-10.21,;51.72,-8.71,;53.19,-8.24,;53.67,-6.77,;55.21,-6.77,;55.68,-8.24,;54.44,-9.14,;57.15,-8.71,;57.46,-10.23,;58.92,-10.71,;60.07,-9.68,;61.53,-10.16,;59.75,-8.17,;58.28,-7.69,;50.59,-7.69,;50.59,-6.15,;51.83,-5.25,;53.07,-4.34,;49.13,-5.68,;48.22,-6.92,;49.13,-8.16,;48.66,-4.21,;49.7,-3.07,;49.23,-1.61,;47.72,-1.28,;46.69,-2.42,;45.15,-2.42,;44.67,-3.88,;45.91,-4.79,;47.16,-3.89,)|
Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C(F)F)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.16,-24.66,;48.63,-24.19,;49.76,-25.22,;51.23,-24.74,;51.55,-23.24,;53.01,-22.77,;53.49,-21.3,;55.03,-21.3,;55.51,-22.77,;54.26,-23.67,;56.97,-23.24,;57.28,-24.76,;58.74,-25.24,;59.89,-24.21,;61.35,-24.69,;59.57,-22.7,;58.1,-22.22,;50.41,-22.22,;50.41,-20.68,;51.66,-19.77,;53.06,-20.4,;51.5,-18.24,;48.95,-20.2,;48.04,-21.45,;48.95,-22.69,;48.48,-18.74,;49.52,-17.6,;49.05,-16.14,;47.55,-15.81,;46.51,-16.95,;44.97,-16.95,;44.49,-18.41,;45.73,-19.32,;46.98,-18.42,)|
Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(CF)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28.58,-24.18,;30.05,-23.7,;31.18,-24.73,;32.65,-24.26,;32.97,-22.76,;34.43,-22.29,;34.91,-20.82,;36.45,-20.82,;36.92,-22.28,;35.68,-23.19,;38.39,-22.76,;38.7,-24.28,;40.16,-24.75,;41.31,-23.73,;42.77,-24.21,;40.99,-22.22,;39.52,-21.74,;31.83,-21.74,;31.83,-20.2,;33.08,-19.29,;32.91,-17.76,;30.37,-19.72,;29.46,-20.97,;30.37,-22.21,;29.9,-18.26,;30.94,-17.12,;30.47,-15.65,;28.96,-15.32,;27.93,-16.47,;26.39,-16.47,;25.91,-17.93,;27.15,-18.84,;28.4,-17.93,)|
Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)|
Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(c(oc12)-c1cccc2nnsc12)-c1cccnc1 |r,wU:13.14,wD:10.10,(-9.96,-23.67,;-8.48,-23.2,;-7.35,-24.23,;-5.89,-23.75,;-5.57,-22.25,;-4.09,-21.78,;-3.62,-20.31,;-2.08,-20.31,;-1.61,-21.78,;-2.85,-22.68,;-.15,-22.25,;.18,-23.77,;1.64,-24.25,;2.79,-23.22,;4.25,-23.7,;2.47,-21.71,;1,-21.23,;-6.71,-21.23,;-6.7,-19.69,;-8.16,-19.21,;-9.08,-20.46,;-8.17,-21.7,;-8.65,-17.74,;-7.6,-16.61,;-8.07,-15.14,;-9.56,-14.81,;-10.61,-15.96,;-12.15,-15.95,;-12.64,-17.42,;-11.39,-18.33,;-10.14,-17.42,;-5.47,-18.79,;-4.06,-19.42,;-2.82,-18.51,;-2.97,-16.98,;-4.38,-16.35,;-5.63,-17.26,)|
Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.91,-9.17,;11.37,-8.7,;12.51,-9.73,;13.97,-9.25,;14.29,-7.76,;15.76,-7.28,;16.23,-5.82,;17.77,-5.82,;18.25,-7.28,;17,-8.19,;19.71,-7.76,;20.03,-9.27,;21.48,-9.75,;22.63,-8.72,;24.1,-9.21,;22.32,-7.22,;20.85,-6.73,;13.16,-6.73,;13.16,-5.19,;11.69,-4.72,;10.79,-5.97,;11.69,-7.2,;11.22,-3.25,;12.26,-2.12,;11.8,-.65,;10.29,-.32,;9.25,-1.47,;7.71,-1.46,;7.23,-2.93,;8.48,-3.83,;9.72,-2.93,)|
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OCCc1ccc(cc1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2ccc(CO)cc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.81,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-3.72,-1.53,;-3.72,-2.76,;-1.03,-1.55,;.3,-.77,)|
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
OCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCOCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(OCCN3CCCC3)c(C)c2)ncc1-c1cccnc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)ncc1-c1cccnc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(cc2)-c2cnco2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(cc2)C(=O)N2CCCC2)ncc1-c1cccnc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(nc2)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)-c2cnco2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccc(F)cc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccc(cc1)C#N)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cccc(c1)C#N)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccccc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccccc1F)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cccnc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccnc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccncc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccoc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccsc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cncc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1C)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1C1CC1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCOCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCOCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@@]1([H])O2 |r|
[H][C@@]12C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@@]1([H])O2 |r,c:9|
[H][C@@]12C[C@H](O)[C@H](O)C(=O)\C=C\C[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@@]1([H])O2 |r,t:9|
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCN3CCN(CC3)c3ccc(Nc4ncc(Cl)c(Nc5ccccc5NC(=O)C=C)n4)cc3)[C@@]1([H])NC(=O)N2 |r|
[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|
[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=C\C3=CC(OC)=CC(O)C3C(=O)O[C@@H](C)CC(CC(=O)[C@H]1O)O2 |r,c:9,t:3,5|
[H][C@]12C\C=C\c3cc(OC)cc(O)c3C(=O)O[C@@H](C)C\C=C/C(=O)[C@@]1([H])OC(C)(C)O2 |r,c:21,t:3|
[H][C@]12O[C@@]1([H])C(=O)C1=C([C@@H]2O)C2([H])O[C@H](C)C1([H])[C@]1([H])[C@@H](C)OC=C3[C@H](O)[C@@]4([H])O[C@@]4([H])C(=O)[C@@]213 |r,c:8,t:26,TLB:24:34:8.7:13.14,32:34:8.7:13.14,9:8:34.18:13.14,THB:20:18:8.7:13.14,5:7:34.18:13.14,15:14:34.18:8.7|
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1