791 SMILES Strings for Dual specificity tyrosine-phosphorylation-regulated kinase 2

Compound Name
SMILES String
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncsc3c2)nc1
CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(NC4CCCC4)sc3c2)nc1
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F
Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2ncsc2c1
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(sc3c2)N(C)C)nc1
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4ncsc4c3)nc2)CC1
CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(sc3c2)N(C)C)nc1
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCNCC2)ncc1F
Cc1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCNCC2)ncc1F
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC)CC2)ncc1F
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(C)C)ncc1F
Clc1ccc2ncc(-c3cccnc3)n2n1
FC(F)(F)c1cccc(c1)-c1cnc2ccc(Cl)nn12
FC(F)(F)c1cccc(\C=C\c2cnc3ccc(Cl)nn23)c1
Nc1cccc(c1)-c1cnc2ccc(Cl)nn12
Nc1ccc(Cl)cc1-c1cnc2ccc(Cl)nn12
O\N=C\c1cccc(c1)-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cc4ccccc4[nH]3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(N)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cc(Cl)ccc3N)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(SC)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)S(C)(=O)=O)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(SC)n3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)S(C)(=O)=O)n2n1 |r|
CCOC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(O)=O)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@@H](CC)CO)c3)n2n1 |r|
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|
CCOC(=O)Nc1ccc2ncc(-c3cccnc3)n2n1
CCOC(=O)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1
OCCN1CCN(CC1)c1ccc2ncc(-c3cccc(Cl)c3)n2n1
Clc1cccc(c1)-c1cnc2ccc(nn12)N1CCC(CC1)N1CCCCC1
CC[C@@H](CO)N(C(C)=O)c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Fc1ccc2ncc(-c3cccc(C=O)c3)n2n1
Clc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1
CC[C@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@H](CC)CO)c3)n2n1 |r|
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|
COc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
COc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1
COc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
COc1ccc2ncc(-c3ccnc(SC)n3)n2n1
COc1ccc2ncc(-c3ccnc(N)n3)n2n1
COc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1
CSc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Fc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
FC(F)(F)c1ccc(cc1)-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(N)n3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1 |r|
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1
Clc1cccc(c1)-c1cnc2ccc(Cl)nn12
Clc1ccc2ncc(-c3cccc(C=O)c3)n2n1
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|
COc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
COc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1
CSc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
COc1ccc2c(c1)[nH]c1c(C)nccc21
CN1C(N)=N\C(=C\c2ccc3OCOc3c2)C1=O |c:3|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC(C)c1cnn2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:28.30,wD:25.26,(51.12,-22.52,;52.63,-22.18,;53.65,-23.33,;53.1,-20.71,;52.18,-19.48,;53.09,-18.23,;54.56,-18.7,;55.89,-17.92,;55.89,-16.38,;54.55,-15.61,;54.55,-14.07,;55.88,-13.31,;55.88,-11.77,;54.54,-10.99,;53.2,-11.78,;53.21,-13.32,;54.53,-9.46,;55.87,-8.69,;55.86,-7.15,;54.52,-6.38,;53.18,-7.17,;53.2,-8.71,;57.23,-18.68,;57.24,-20.23,;58.57,-21.01,;59.9,-20.23,;61.23,-21.01,;62.56,-20.24,;62.56,-18.7,;63.9,-17.93,;61.23,-17.93,;59.89,-18.69,;55.9,-21.01,;54.56,-20.24,)|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl
[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC
Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1
Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)C3CCNCC3)c2n1
CN1CCC(CC1)c1cccc(c1)-c1coc2ccc(nc12)-c1cnn(C)c1
Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cn[nH]c3)c2n1
Cn1cc(cn1)-c1cccc(c1)-c1coc2ccc(nc12)-c1cnn(C)c1
Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cc[nH]n3)c2n1
c1n[nH]cc1-c1ccc2occ(-c3ccccc3)c2n1
c1n[nH]cc1-c1ccc2occ(-c3ccc4ccccc4c3)c2n1
COc1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Cn1cc(cn1)-c1coc2ccc(nc12)-c1cn[nH]c1
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
CC1(CC1)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
CC(=C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
C(c1ccccc1)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
CC(C)Cc1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
c1n[nH]cc1-c1ccc2occ(-c3ccc(cc3)-c3ccccc3)c2n1
C1CCC(CC1)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
C1C2CC3CC1CC(C2)(C3)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1 |TLB:0:1:9:6.5.4,0:5:8.1.2:9,4:3:8:6.0.5,THB:4:5:8:2.3.9|
Cn1cc(cn1)-c1ccc2occ(-c3ccc(cc3)C(C)(C)C)c2n1
Cn1cc(nn1)-c1ccc2occ(-c3ccc(cc3)C(C)(C)C)c2n1
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cc[nH]n1
Cn1ccc(n1)-c1ccc2occ(-c3ccc(cc3)C(C)(C)C)c2n1
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1nn[nH]n1
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cnsc1
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cnn(CCN2CCOCC2)c1
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]n1
c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5
CN(C)c1nccc(n1)-c1cnn2ncccc12
COc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12
COc1nc(C)nc2[nH]cc(-c3ccnc(C)c3)c12
Cc1nc(NCc2ccccc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc(NCc2cccs2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc(NCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc(NCc2ccoc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)n1
Cc1nc(NCc2ncccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc(-c2ccc3OCOc3c2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc(OCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1cc(COc2nc(C)nc3[nH]cc(-c4ccnc(N)c4)c23)no1
Cc1nc(OCc2cncs2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc(OCc2ccccc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc2ccc(nc2n1C(C)(C)C)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1C1CCCC1)-c1cc(N)nc(N)c1
COCCCn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1CCC1CCCCC1)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1Cc1ccc(F)cc1)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1CCc1ccco1)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1CCOc1ccccc1)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1CC(F)F)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1CC(F)(F)F)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1CCCC(F)(F)F)-c1cc(N)nc(N)c1
Cc1oc2ccc(cc2c1C)-c1cc(N)nc(N)c1
C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccc1 |r|
C[C@@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccc1 |r|
Cc1nc2ccc(nc2n1CCOc1ccccn1)-c1cc(N)nc(N)c1
C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccn1 |r|
C[C@@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccn1 |r|
Cc1nc2ccc(nc2n1CCOc1cccc(Br)n1)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1CCOc1cccc(Cl)n1)-c1cc(N)nc(N)c1
C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1cccc(Br)n1 |r|
CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCOc2c1 |c:11|
O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCCOc2c1 |c:11|
O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCCc2c1 |c:11|
Oc1ccc(\C=C2/N=C(Nc3ccccc3)NC2=O)cc1O |t:7|
COc1ccc(\C=C2/N=C(Nc3ccccc3)NC2=O)cc1 |t:8|
COc1ccc(\C=C2/N=C(Nc3ccccc3)NC2=O)cc1O |t:8|
COc1cccc(\C=C2/N=C(Nc3ccccc3)NC2=O)c1 |t:9|
COc1cc(\C=C2/N=C(Nc3ccccc3)NC2=O)ccc1O |t:7|
[2H]C1([2H])Oc2ccc(\C=C3/N=C(Nc4ccccc4)NC3=O)cc2O1 |t:10|
C\C(=C1\N=C(Nc2ccccc2)NC1=O)c1ccc2OCOc2c1 |t:3|
O=C1NC(Nc2ccccc2)=NC1Cc1ccc2OCOc2c1 |c:11|
O=C1N=C(Nc2ccccc2)S\C1=C/c1ccc2OCOc2c1 |t:2|
CCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:3|
CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O |w:6.6,c:3|
Cn1cc(Cc2ccc3OCOc3c2)nc1N
CN1C(Nc2ccccc2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:12.13,c:10|
CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1 |w:7.7,t:4|
CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:7.7,t:4|
CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1CCC |w:7.7,t:4|
CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4|
CCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:3|
CCCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:4|
CCCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:4|
NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:1|
CN(C1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1)c1ccccc1 |t:2|
CNC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:2|
O=C1NC(=N\C1=C/c1ccc2OCOc2c1)N1CCCC1 |c:3|
O=C1NC(=N\C1=C/c1ccc2OCOc2c1)N1CCCCC1 |c:3|
O=C1NC(=N\C1=C/c1ccc2OCOc2c1)N1CCOCC1 |c:3|
CCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1 |w:6.6,t:3|
O=C1NC(NC2CCNCC2)=N\C1=C/c1ccc2OCOc2c1 |c:11|
O=C1NC(Nc2ccccn2)=N\C1=C/c1ccc2OCOc2c1 |c:11|
Fc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:6|
Fc1cccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:7|
Oc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1F |t:6|
Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7|
Cc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Cc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c(C)c1 |t:6|
Cc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1C |t:6|
Cc1ccc(C)c(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:8|
CCCCCCc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:11|
O=C1NC(Nc2ccc(cc2)N2CCCCC2)=N\C1=C/c1ccc2OCOc2c1 |c:18|
COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)ccc1O |t:7|
O=C1NC(Nc2ccc(cc2)-c2ccccc2)=N\C1=C/c1ccc2OCOc2c1 |c:18|
O=C1NC(=N\C1=C/c1ccc2OCOc2c1)N1CCC(CC1)N1CCCCC1 |c:3|
COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCCCC3)NC2=O)ccc1O |t:7|
O=C1NC(Nc2ccc(cc2)N2CCNCC2)=N\C1=C/c1ccc2OCOc2c1 |c:18|
O=C1NC(Nc2ccc(cc2)N2CCNCC2)=N\C1=C/c1ccc2OC=COc2c1 |c:18,28|
COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCNCC3)NC2=O)ccc1O |t:7|
CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:13|
CN1CCN(CC1)c1ccc(NC2=N\C(=C/C3=COc4ccccc4O3)C(=O)N2)cc1 |t:13,17|
Fc1ccc(cc1)N1CCN(CC1)C1=N\C(=C/c2ccc3OCCOc3c2)C(=O)N1 |t:15|
CSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:2|
CCCCCOc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:11|
O=C1NC(Nc2ccc(Oc3ccccc3)cc2)=N\C1=C/c1ccc2OCOc2c1 |c:19|
CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2nc3ccc(O)cc3s2)cc1
Oc1ccc2nc(NC(=O)Nc3ccc(cc3)C(=O)NCc3ccccc3)sc2c1
COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN
O\N=C1\C(Nc2ccc(cc12)C(O)=O)C1C(=O)Nc2c1cccc2Br
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
CC(C)N1CCN(Cc2ccc(Nc3ncc(C)c(n3)-c3ccc4scnc4c3)nc2)CC1
Cc1cnc(Nc2ccc(CN3CCN(CC3)C(=O)OC(C)(C)C)cn2)nc1-c1ccc2scnc2c1
Cc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1
COc1cnc(Nc2ccc(CN3CCN(CC3)C(=O)OC(C)(C)C)cn2)nc1-c1ccc2scnc2c1
COc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1
CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc4scnc4c3)nc2)CC1
C(N1CCNCC1)c1ccc(Nc2nccc(n2)-c2ccc3scnc3c2)nc1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4scnc4c3)nc2)CC1
CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4scnc4c3)nc2)CC1
Fc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc3scnc3c2)nc1
Cc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)nc1-c1ccc2scnc2c1
Cc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2scnc2c1
COc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2scnc2c1
CCN1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2ccc3scnc3c2)nc1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2ccc3scnc3c2)nc1
O=C(N1CCNCC1)c1ccc(Nc2nccc(n2)-c2ccc3scnc3c2)nc1
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3scnc3c2)nc1
CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3scnc3c2)nc1
Fc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)C2CC2)nc1-c1ccc2scnc2c1
CCOC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3scnc3c2)nc1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3scnc3c2)nc1
Fc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)c2ccccc2)nc1-c1ccc2scnc2c1
Fc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2scnc2c1
CCN1CCN(CC1)C(=O)c1cnc(Nc2ncc(F)c(n2)-c2ccc3scnc3c2)nc1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cnc(Nc2ncc(F)c(n2)-c2ccc3scnc3c2)nc1
Fc1cnc(Nc2ncc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2scnc2c1
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3scnc3c2)cn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3scnc3c2)cn1
Fc1cnc(Nc2ccc(nc2)C(=O)N2CCNCC2)nc1-c1ccc2scnc2c1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
c1n[nH]c2ccc(cc12)-c1ccccc1
COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl
COC1=CC2C3C(NC2=O)=Cc2ccc(OC)cc2C3=C1OC |c:10,22,t:2|
COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1
C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1nnc[nH]1
c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O
c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
Oc1ccc(cc1O)-c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1
CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r|
Clc1cccc(Cl)c1NC1=NC(=O)\C(S1)=C\c1ccc2nccnc2c1 |t:10|
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
CCOC(=O)c1c(C(C=N)C#N)c2ccc(Cl)c(Cl)c2n1C
Oc1ccc(cc1)-c1n[nH]c2ncc(cc12)-c1ccc(O)c(O)c1
CCNc1cc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N2CCOCC2)nc2[nH]cc(c12)C(F)(F)F
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:8:9:13:7.12.6,THB:8:7:14.9.10:13,10:9:12.11.13:6,10:11:14.9.8:6|
CC(C)CC(=O)Nc1cncc(c1)-c1ccc2[nH]nc(-c3nc4cncc(-c5cccc(F)c5)c4[nH]3)c2c1
Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]
CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Oc1ccc(\C=C2/Sc3ccc(cc3NC2=O)S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1[N+]([O-])=O
CN(C)C\C=C\C(=O)N1CCCC[C@@H](C1)N1C(NC(=O)c2ccnc(C)c2)Nc2cccc(C)c12 |r|
CC(=O)c1nccc2c3ccccc3[nH]c12
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
CC(C)(c1ccc(cc1)O)c2ccc(cc2)O
NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|
CN(c1cccc(C)c1)c1nccc(n1)-c1cnn2ncccc12
COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4
Cc1ccc(c(c1)[N+]([O-])=O)-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1
c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O
COc1ccc(\C=C2/SC(=S)NC2=O)cc1C#C[Si](C)(C)C
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
O=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1
COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)cc12
CCN1c2cc(ccc2S/C1=CC(=O)C)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r|
CCOc1ccc2nc(N3CCCN(CC3)C(=S)Nc3ccccc3F)c(cc2c1)C#N
COc1ccc2sc(nc2c1)-c1cncc(NC(C)=O)c1
CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3
CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Cc1cn2cc(ccc2n1)-c1ccncc1
CCN(CC)Cc1ccc(OC)c(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(C(O)=O)c(c1)C(C)C
CN(c1ncccc1CNc1ccnc(n1)-c1nc2c(F)c(Cl)ccc2[nH]1)S(C)(=O)=O
c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3
FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cccc(c1)S(F)(=O)=O
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2OCOc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2nnsc2c1 |c:11|
Cc1nc2ccc(\C=C3/N=C(NC4CCCCC4)NC3=O)cc2s1 |t:9|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2scnc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2ncoc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]cnc2c1 |c:11|
Cn1cnc2ccc(\C=C3/N=C(NC4CCCCC4)NC3=O)cc12 |t:10|
Cn1cnc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]ncc2c1 |c:11|
Cn1ncc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|
Cn1cc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc2n1 |t:8|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]ccc2c1 |c:11|
Cn1ccc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2OCOc2c1 |c:12|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2nnsc2c1 |c:12|
Cc1nc2ccc(\C=C3/N=C(NC4CCCCCC4)NC3=O)cc2s1 |t:9|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2scnc2c1 |c:12|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2ncoc2c1 |c:12|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2OCCc2c1 |c:12|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2[nH]cnc2c1 |c:12|
Cn1cnc2ccc(\C=C3/N=C(NC4CCCCCC4)NC3=O)cc12 |t:10|
Cn1cnc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc12 |t:9|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2[nH]ncc2c1 |c:12|
Cn1ncc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc12 |t:9|
Cn1cc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc2n1 |t:8|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2[nH]ccc2c1 |c:12|
Cn1ccc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc12 |t:9|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2OCOc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2nnsc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
Cc1nc2ccc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)cc2s1 |t:9,TLB:15:16:20:14.19.13,19:14:21:18.20.17,19:18:21:15.14.13,THB:15:14:20:21.16.17|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2scnc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncoc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2OCCc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2[nH]cnc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
Cn1cnc2ccc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)cc12 |t:10,TLB:16:17:21:15.20.14,20:15:22:19.21.18,20:19:22:16.15.14,THB:16:15:21:22.17.18|
Cn1cnc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc12 |t:9,TLB:15:16:20:14.19.13,19:14:21:18.20.17,19:18:21:15.14.13,THB:15:14:20:21.16.17|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2[nH]ncc2c1 |c:17,TLB:4:5:8:11.12.10,12:11:14:8.7.6,12:7:14:13.11.10,THB:13:5:8:11.12.10,13:11:8:14.5.6|
Cn1ncc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc12 |t:9,TLB:11:12:15:18.19.17,19:18:21:15.14.13,19:14:21:20.18.17,THB:20:12:15:18.19.17,20:18:15:21.12.13|
Cn1cc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc2n1 |t:8,TLB:10:11:14:17.18.16,18:17:20:14.13.12,18:13:20:19.17.16,THB:19:11:14:17.18.16,19:17:14:20.11.12|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2[nH]ccc2c1 |c:17,TLB:4:5:8:11.12.10,12:11:14:8.7.6,12:7:14:13.11.10,THB:13:5:8:11.12.10,13:11:8:14.5.6|
Cn1ccc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc12 |t:9,TLB:11:12:15:18.19.17,19:18:21:15.14.13,19:14:21:20.18.17,THB:20:12:15:18.19.17,20:18:15:21.12.13|
O=C1NC(NC2CC2)=N\C1=C/c1ccc2ncsc2c1 |c:8|
O=C1NC(NC2CCC2)=N\C1=C/c1ccc2ncsc2c1 |c:9|
O=C1NC(NC2CCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:10|
O=C1NC(NC2CCCCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:13|
C[C@@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
C[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |r,t:3|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
[H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2(C)C |r,t:11|
O=C1NC(NC2CC3(CCC3)C2)=N\C1=C/c1ccc2ncsc2c1 |c:13|
O=C1NC(NC2CC22CCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:14|
O=C1NC(NC2CC3CCC2C3)=N\C1=C/c1ccc2ncsc2c1 |c:13,TLB:4:5:11:8.9|
CC1(C)C2CCC1(C)[C@@H](C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:13,THB:10:8:1:4.5|
FC1(F)CCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|
FC1(F)CCCCC1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
FC1(F)CCCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
FC1(F)CCC(CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
FC1(F)CCCCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:11|
O[C@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
O[C@@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
O[C@@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@@H]1CCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wU:1.0,wD:4.7,t:9,(-8.08,2.3,;-6.54,2.3,;-5.64,3.55,;-4.11,3.4,;-3.47,1.99,;-4.37,.74,;-5.91,.9,;-1.91,1.84,;-1.29,.43,;.19,.12,;.35,-1.44,;1.68,-2.22,;3,-1.44,;3,.12,;4.41,.9,;5.74,.12,;7.22,.59,;8.08,-.66,;7.22,-1.91,;5.74,-1.44,;4.41,-2.22,;-1.05,-2.07,;-1.37,-3.55,;-2.07,-.9,)|
O[C@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@H]1CCCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@H]1CCC[C@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@@H]1CCC[C@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@H]1CCC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
CO[C@@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
CO[C@H]1CCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
CO[C@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CCC[C@@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wU:2.1,wD:5.8,t:10,(-8.46,.97,;-7.69,2.3,;-6.15,2.3,;-5.25,3.55,;-3.72,3.4,;-3.09,1.99,;-3.99,.74,;-5.52,.9,;-1.53,1.84,;-.9,.43,;.58,.12,;.74,-1.44,;2.06,-2.22,;3.39,-1.44,;3.39,.12,;4.8,.9,;6.12,.12,;7.61,.59,;8.46,-.66,;7.61,-1.91,;6.12,-1.44,;4.8,-2.22,;-.67,-2.07,;-.98,-3.55,;-1.68,-.9,)|
CO[C@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@H]1CCC[C@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@H]1CCC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CC[C@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:6|
CC[C@@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:6|
CC(C)C[C@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
CC(C)C[C@@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
OC[C@@H](CC1CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
OC[C@@H](CC1CCC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
OC[C@@H](CC1CCCC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
OC[C@@H](CC1CCCCC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
OCC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:4|
OC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:4|
CC(C)C[C@H](COC)NC1=N/C(=C\c2ccc3c(c2)scn3)/C(=O)N1
COC[C@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
CCOC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CC(C)C[C@H](COC1CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
CC(C)C[C@H](COC(C)(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
CC(C)C[C@H](COCc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:16|
CC(C)C[C@H](COCc1ccc(F)cc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:17|
COCC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:5|
COC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:5|
COC(=O)[C@H](C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:7|
COC(=O)[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C(C)C |r,t:6|
COC(=O)[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C(C)O |r,t:6|
COC(=O)[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
COC(=O)[C@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CC(C)C[C@H](CF)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
CC(C)C[C@@H](CF)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
O=C1NC(NCC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:18,TLB:15:6:13:9.11.10,5:6:9:12.13.11,THB:14:6:9:12.13.11,14:12:9:7.6.15,15:10:7.6.14:13|
CC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C12CC3CC(CC(C3)C1)C2 |t:3,TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
O=C1NC(NC2C3CC4CC(C3)CC2C4)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:14:13:11:7.8.9,THB:14:8:5.13.12:11,9:8:5:12.10.11,9:10:5:7.8.14,4:5:11:7.8.9,(1.84,-4.63,;.9,-3.45,;-.65,-3.45,;-1.19,-2.05,;-2.68,-1.65,;-3.08,-.16,;-2.04,1.14,;-3.47,.79,;-4.82,1.28,;-4.82,2.8,;-3.46,3.28,;-2.04,2.7,;-4.51,2.03,;-4.51,.41,;-6.04,-.02,;.01,-1.09,;1.31,-1.96,;2.76,-1.44,;3,.08,;1.79,1.08,;2.08,2.66,;3.53,3.19,;4.11,4.63,;5.62,4.5,;6.04,3.04,;4.73,2.19,;4.49,.67,)|
O[C@@]12CC3CC(C1)[C@H](NC1=N\C(=C/c4ccc5ncsc5c4)C(=O)N1)C(C3)C2 |r,wU:7.8,wD:1.0,t:10,TLB:6:1:7.5.4:26,8:7:26:27.1.2,THB:6:5:26:27.1.2,2:1:7:4.3.26,2:3:7:27.1.6,0:1:7:4.3.26,0:1:7.5.4:26,(-6.15,1.85,;-4.71,1.28,;-4.71,2.8,;-3.35,3.28,;-4.4,2.03,;-4.4,.41,;-5.93,-.02,;-2.97,-.16,;-2.57,-1.65,;-1.08,-2.05,;.11,-1.09,;1.42,-1.96,;2.86,-1.44,;3.1,.08,;1.9,1.08,;2.19,2.66,;3.64,3.19,;4.22,4.63,;5.73,4.5,;6.15,3.04,;4.84,2.19,;4.6,.67,;1,-3.45,;1.95,-4.63,;-.54,-3.45,;-1.94,1.14,;-1.94,2.7,;-3.36,.79,)|
COC(=O)C1(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C2CC3CC(C2)CC1C3 |t:6,TLB:5:4:23:25.26.27,2:4:23:25.26.27,THB:25:24:4:26.28.27,25:26:4:23.24.30,28:26:23:4.29.30,28:29:23:25.26.27,2:4:23.24.30:26.28.27,(-2.45,-3.18,;-3.92,-2.69,;-4.23,-1.18,;-5.72,-.79,;-3.08,-.16,;-2.68,-1.65,;-1.19,-2.05,;.01,-1.09,;1.31,-1.96,;2.76,-1.44,;3,.09,;1.79,1.08,;2.08,2.66,;3.53,3.19,;4.11,4.63,;5.62,4.5,;6.04,3.04,;4.73,2.19,;4.49,.67,;.9,-3.44,;1.84,-4.63,;-.65,-3.44,;-4.51,.41,;-6.04,-.02,;-4.82,1.28,;-4.82,2.8,;-3.46,3.28,;-4.51,2.03,;-2.04,2.7,;-2.04,1.14,;-3.47,.79,)|
O=C1NC(NC23CC4CC2CC(C3)C4)=N\C1=C/c1ccc2ncsc2c1 |c:16,TLB:10:9:12.11.13:6,THB:10:11:8.9:6|
C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:16,TLB:7:1:8.5.4:10,6:5:10:1.2.11,THB:7:5:10:1.2.11,2:1:8:3.4.10,2:3:8:7.1.11,0:1:8:3.4.10,0:1:8.5.4:10|
OC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:15,TLB:4:3:10:5.6.7,4:5:10:2.3.9,11:8:2:4.5.6,THB:7:5:2:10.8.9,7:8:2:4.5.6|
COC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:14,TLB:9:8:28:4.5.3,9:4:28:10.8.7,5:6:10:9.4.3,THB:11:8:28:4.5.3,5:4:10:6.28.7|
FC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:15,TLB:11:8:2:5.4.6,4:5:10:3.2.9,4:3:10:7.5.6,THB:7:8:2:5.4.6,7:5:2:10.8.9|
FC12CC3(F)CC(F)(C1)CC(C2)(C3)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:17,TLB:13:10:2:6.5.8,5:3:11:9.6.8,7:6:11:3.2.12,THB:9:10:2:6.5.8,9:6:2:11.10.12,5:6:11:3.2.12,4:3:11:9.6.8,7:6:2:11.10.12|
CC(=O)OC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:16,TLB:11:10:30:6.7.5,11:6:30:12.10.9,7:8:12:11.6.5,THB:13:10:30:6.7.5,7:6:12:8.30.9|
CC(C)(C)C(=O)OC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:19,TLB:14:13:33:9.10.8,14:9:33:15.13.12,10:11:15:14.9.8,THB:16:13:33:9.10.8,10:9:15:11.33.12|
CC(C)(C)NC(=O)OC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:20,TLB:15:14:34:10.11.9,15:10:34:16.14.13,11:12:16:15.10.9,THB:17:14:34:10.11.9,11:10:16:12.34.13|
CC(=O)NC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:18,TLB:9:4:12:8.10.7,7:8:12.6.5:13,7:6:8.10.9:13,THB:9:8:12:5.4.13|
O=C(NC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CC1 |t:17,TLB:6:5:12:7.8.9,6:7:12:4.5.11,THB:4:3:9:5.6.11,4:5:12.3.8:9|
CS(=O)(=O)NC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:17,TLB:31:5:12:9.8.10,8:9:13:7.6.12,THB:31:9:13.5.6:12,8:7:13:31.9.10|
CN(C)C12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:15,TLB:29:3:10:7.6.8,6:7:11:5.4.10,THB:29:7:11.3.4:10,6:5:11:29.7.8|
O=C1NC(NCc2ccccc2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
Cc1ccc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1C |t:7|
Cc1ccc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)c(C)c1 |t:7|
FC(F)(F)c1ccccc1CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:13|
FC(F)(F)Oc1ccccc1CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:14|
O=C1NC(NC2Cc3ccccc3C2)=N\C1=C/c1ccc2ncsc2c1 |c:15|
O[C@@H]1Cc2ccccc2[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:13|
O[C@H]1Cc2ccccc2[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:13|
OC[C@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|
OC[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|
OC[C@@H](Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
O[C@@H](CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|
O[C@H](CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|
OC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)Cc1ccccc1 |t:4|
CO[C@H]1Cc2ccccc2[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|
CO[C@@H]1Cc2ccccc2[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|
COC[C@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:5|
COC[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:5|
CC(C)(C)OC[C@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:8|
COCC(Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:13|
COC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |t:5|
COC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)Cc1ccccc1 |t:5|
COC(=O)[C@@H](Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|
COC(=O)[C@H](Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|
FCC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |t:4|
NCC(NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1
NC[C@H](NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1
NC[C@@H](NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1
CNCC(NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1
CN(C)CC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |t:6|
O=C1NC(NCc2ccccn2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NCc2cccnc2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NCc2ccncc2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NCCc2ccccn2)=N\C1=C/c1ccc2ncsc2c1 |c:13|
Cc1cnc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cn1 |t:7|
Cc1ccc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)o1 |t:7|
O=C1NC(NCCCn2ccnc2)=N\C1=C/c1ccc2ncsc2c1 |c:13|
Cc1csc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)n1 |t:7|
O=C1NC(NCc2nc3ccccc3s2)=N\C1=C/c1ccc2ncsc2c1 |c:16|
O=C1NC(NCC2CCOCC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
CN1CCC2(CC(C2)NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)CC1 |t:10|
CN1CCC(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)CC1 |t:7|
CC(C)(C)OC(=O)N1CCC(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)CC1 |t:13|
O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
CCCCCCc1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1 |t:11|
Fc1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1 |t:6|
Cc1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1F |t:6|
FC(F)(F)c1cccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)c1 |t:10|
FC(F)Oc1cccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)c1 |t:10|
O=C1NC(Nc2ccc3CCCc3c2)=N\C1=C/c1ccc2ncsc2c1 |c:15|
CC(=O)N1CCc2ccc(NC3=N\C(=C/c4ccc5ncsc5c4)C(=O)N3)cc12 |t:11|
Cn1ncc2cccc(NC3=N\C(=C/c4ccc5ncsc5c4)C(=O)N3)c12 |t:10|
CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1 |t:13|
CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCCOc4c3)C(=O)N2)cc1 |t:13|
COc1ccc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)cc1O |t:8|
O=C1NC(Nc2ccc(cc2)N2CCOCC2)=N\C1=C/c1ccc2ncsc2c1 |c:18|
O=C1NC(Nc2cccnc2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NC(Nc2ccccn2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
COc1nc(C)ccc1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:11|
O=C1NC(Nc2ncccn2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NC(Nc2cncnc2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
CN1CCN(CC1)c1cnc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)nc1 |t:13|
CN1CCN(CC1)c1ncc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cn1 |t:13|
CN1CCN(CC1)c1cnc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cn1 |t:13|
Cn1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)n1 |t:6|
O=C1NC(Nc2nncs2)=N\C1=C/c1ccc2ncsc2c1 |c:10|
O=C1NC(NC2COC2)=N\C1=C/c1ccc2ncsc2c1 |c:9|
O=C1NC(N[C@@H]2CCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:10|
O=C1NC(N[C@H]2CCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:10|
O=C1NC(NC2CCOCC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NC(N[C@@H]2CCCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:11|
O=C1NC(N[C@H]2CCCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:11|
CC1(C)CCC(CO1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
O[C@@H]1CCOC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CCOC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O=C1NC(NC2CCCCOC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NC2COCCOC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
CN1CCC(CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|
CN1CCCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|
O=C1NC(NC2CCCSC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NCCC1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:8|
CC1(C)CNC(=O)C1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
CC1(CCNC1=O)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|
CN1CCC(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |t:6|
CN1CC[C@@](C)(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |r,t:7|
CN1CC[C@](C)(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |r,t:7|
O=C1NC(NC2CCCNC2=O)=N\C1=C/c1ccc2ncsc2c1 |c:12|
CN1CCCC(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |t:7|
O=C1NC(N[C@H]2CCC(=O)NC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:12|
[H][C@]1(CN2CCC1CC2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wU:1.0,t:12,(-4.14,.59,;-4.14,-.9,;-4.14,-2.46,;-5.47,-3.24,;-6.09,-2.3,;-6.09,-1.13,;-5.47,-.12,;-6.79,-.9,;-6.79,-2.46,;-2.81,-.12,;-1.41,-.9,;,-.27,;1.01,-1.44,;2.58,-1.29,;3.2,.12,;2.26,1.37,;2.89,2.77,;4.45,2.93,;5.31,4.18,;6.79,3.71,;6.79,2.15,;5.31,1.68,;4.68,.27,;.23,-2.77,;.86,-4.18,;-1.25,-2.46,)|
[H][C@@]1(CN2CCC1CC2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wD:1.0,t:12,(-4.06,.58,;-4.06,-.89,;-4.06,-2.43,;-5.37,-3.21,;-6.07,-2.28,;-6.07,-1.12,;-5.37,-.12,;-6.76,-.89,;-6.76,-2.43,;-2.74,-.12,;-1.43,-.89,;-.04,-.27,;.97,-1.43,;2.51,-1.28,;3.13,.12,;2.2,1.35,;2.9,2.74,;4.37,2.9,;5.29,4.14,;6.76,3.67,;6.76,2.13,;5.29,1.66,;4.68,.27,;.19,-2.74,;.89,-4.14,;-1.28,-2.43,)|
CCOc1cc(ccc1O)/C=C\2/C(=O)NC(=S)S2
CS(=O)(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
CCOC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
Fc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(NC4CCCC4)sc3c2)nc1
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(NC4CCCC4)sc3c2)nc1
Fc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(NC4CCCC4)sc3c2)nc1
Fc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)C2CC2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(NC4CCCC4)sc3c2)nc1
Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
CS(=O)(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4ncsc4c3)nc2)CC1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncsc3c2)nc1
CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncsc3c2)nc1
Fc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2ncsc2c1
CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncsc3c2)nc1
Fc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)C2CC2)nc1-c1ccc2ncsc2c1
CC(C)N1CCN(Cc2ccc(Nc3ncc(C)c(n3)-c3ccc4ncsc4c3)nc2)CC1
Cc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)nc1-c1ccc2ncsc2c1
CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc3ncsc3c2)nc1
Cc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2ncsc2c1
COc1cnc(Nc2ccc(CN3CCN(CC3)C(C)C)cn2)nc1-c1ccc2ncsc2c1
COc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)nc1-c1ccc2ncsc2c1
COc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(C)C)nc1-c1ccc2ncsc2c1
COc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2ncsc2c1
CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2ccc3ncsc3c2)nc1
Cc1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)OC(C)(C)C)cn2)ncc1F
CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(C)sc4c3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(C)sc4c3)nc2)CC1
Cc1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(C)sc3c2)nc1
CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(C)sc3c2)nc1
Cc1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)C2CC2)ncc1F
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(C)=O)ncc1F
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)C2CC2)ncc1F
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
COC[C@@H](CC(C)C)NC1=N\C(=C\c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C |r,t:9|
CCN1C(N[C@@H](COC)CC(C)C)=N\C(=C/c2ccc3ncsc3c2)C1=O |r,c:12|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CCC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CCCC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CCCCC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2cnc3ncsc3c2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2cc3scnc3cn2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3n2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3scnc3c2)C(=O)N1 |r,t:9|
Cc1ccc2c(-c3ccc4ncnc(N[C@H](CO)c5ccccc5)c4c3)c[nH]c2n1
Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
O=C1/C(=C/c2ccccc2Cl)CNC/C1=Cc1ccccc1Cl
Brc1ccccc1\C=C1/CNC\C(=C/c2ccccc2Br)C1=O
O=C(CN1C/C(=Cc2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1O
OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
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
CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
CCCNC1=NC(=Cc2cc(OC)c(OC)c(OC)c2)C(=O)N1C |w:7.7,t:4|
O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
O=C1NC(Nc2ccc3OCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:16.19,c:15|
O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:17.20,c:16|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1Nc1ccc(O)cc1 |w:5.5,c:17|
COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2C)cc1 |w:10.10,t:7|
CN1C(Nc2ccc3OCOc3c2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:15.17,c:14|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1Nc1ccc2OCCOc2c1 |w:5.5,c:17|
CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:5.5,t:2|
CCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:6.6,t:3|
CC(C)NC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:7.7,t:4|
CCCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
CC(C)CCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:9.9,t:6|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCC=C |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCC1CC1 |w:5.5,c:17|
CN1C(NC2CCCC2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:11.12,c:9|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCO |w:5.5,c:17|
COCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCO |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCCCO |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN1CCOCC1 |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN |w:5.5,c:17|
CN1C(NC(C)=O)=N\C(=C/c2ccc3OCOc3c2)C1=O |c:6|
CCOC(=O)C(=O)NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:8|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccccc1 |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccc2OCOc2c1 |w:5.5,c:17|
CCCNC1=NC(=Cc2ccccc2O)C(=O)N1C |w:7.7,t:4|
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
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
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
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|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
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|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4
c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O
COc1ccc2c(c1)n(CCCCN)c1cnccc21
CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O |c:9,11|
COc1ccc2c(c1)n(CCCN)c1c(C)nccc21
COc1ccc2c(c1)n(CCCCN)c1c(C)nccc21
COc1ccc2c(c1)n(CCCCN)c1c(nccc21)C(C)C
CCc1nccc2c3ccc(OC)cc3n(CCCCN)c12
Cc1nccc2c3ccc(O)cc3n(CCCCN)c12
Cc1nccc2c3ccc(F)cc3n(CCCCN)c12
Cc1nccc2c3ccc(NS(C)(=O)=O)cc3n(CCCCN)c12
Cc1nccc2c3ccc(OC(C)(C)C)cc3n(CCCCN)c12
COc1cccc2n(CCCCN)c3c(C)nccc3c12
COc1ccc2n(CCCCN)c3c(C)nccc3c2c1
COc1cccc2c3ccnc(C)c3n(CCCCN)c12
Cc1nccc2c3cc4OCOc4cc3n(CCCCN)c12
COc1ccc2c3ccnc(C)c3n(CCCCN)c2c1Cl
CNCCCCn1c2cc(OC)ccc2c2ccnc(C)c12
COc1ccc2c(c1)n(CCCCN(C)C)c1c(C)nccc21
COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F
NCCCCn1c2cc(O)ccc2c2ccnc(c12)C(F)(F)F
Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(Br)c12 |t:5|
Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12 |(16.04,-29.76,;14.79,-28.85,;13.33,-29.34,;12.86,-30.81,;12.42,-28.1,;10.88,-28.11,;9.98,-29.37,;8.5,-28.9,;7.16,-29.67,;5.82,-28.9,;5.82,-27.35,;7.15,-26.58,;8.49,-27.34,;9.97,-26.86,;10.19,-25.33,;8.97,-24.37,;13.32,-26.85,;13,-25.36,;14.13,-24.33,;15.6,-24.8,;15.92,-26.3,;17.39,-26.77,;14.78,-27.32,)|
FC(F)(F)c1cccc2C(C(=O)Nc12)=C1Nc2ccc(cc2C1=O)-c1nnn[nH]1 |w:14.16|
FC(F)(F)c1cccc2\C(C(=O)Nc12)=C1\Nc2ccc(cc2C1=O)C#N
COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2C(F)(F)F
COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2Br
COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12
COC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2ccccc12
OC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12
OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2Br
OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F
COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2Br
COC(=O)c1ccc2[nH]c(C3C(=O)N(C)c4c3cccc4Br)c(N=O)c2c1
FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)-c1nnn[nH]1
FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)C#N
COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1
COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccccc2c1N=O
OCc1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2Br
OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2C(F)(F)F
COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2C(F)(F)F
COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2Br
COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)N(C)c2c1cccc2Br
OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2Br
OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2ccccc12
OC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1
CN1C(=O)C(c2cccc(Br)c12)c1[nH]c2ccc(cc2c1N=O)C(O)=O
OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
NCCOCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:21.21,t:18|
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15|
NCCOCCOCCO
O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
COc1ccc2c3[nH]c4c(F)cccc4c3c(nc2c1)C(O)=O
COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O
CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(F)cccc3c12
c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl
c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br
COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
OC(=O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12
c1ncc(s1)-c1cc(cs1)-c1cccnc1
Nc1nccc(n1)-c1cn(C(=O)N2CCOCC2)c2ccc(Br)cc12
COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2
O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
O=C1NC(=S)S\C1=C/c1ccc2OCCc2c1
COc1ccc(\C=C2\SC(=S)NC2=O)cc1
COc1ccc(\C=C2/NC(=O)SC2=O)cc1
CC1C\C(=C/c2ccc3ncsc3c2)C(=O)O1
O=C1OCC\C1=C/c1ccc2OCOc2c1
O=C1OCC\C1=C/c1ccc2OCCOc2c1
O=C1OCC\C1=C/c1ccc2ncsc2c1
CC1C\C(=C/c2ccc3OCCc3c2)C(=O)O1
O=C1OCC\C1=C/c1ccc2OCCc2c1
COc1ccc(\C=C2/CCCOC2=O)cc1
O=C1OCC\C1=C/c1ccc2OCCCc2c1
COc1ccc(\C=C2/CCOC2=O)cc1
CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4
Oc1ccc(NC(=O)c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1
NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
CC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1
Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2[nH]ccc2c1
Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)[N+]([O-])=O
Oc1ccc(cc1)-c1cnc2[nH]cc(C(=O)Nc3cccc(O)c3)c2c1
Oc1ccc(NC(=O)c2c[nH]c3ncc(cc23)-c2ccc(O)cc2)cc1
Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)C(=O)Nc1cccc(O)c1
Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
Nc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1c[nH]c2ccc(cc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)-c3nnn[nH]3)c2c1
Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r|