1995 SMILES Strings for Serine/threonine-protein kinase PLK1

Compound Name
SMILES String
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccccc1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(Cl)c1)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1ccccc1)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1cccc(C)c1)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1ccc(C)cc1)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1cc(C)cc(C)c1)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1cccc(Cl)c1)c1ccccc1 |r|
COc1ccc(cc1OC)-c1noc2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCCO)c1)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r|
C[C@H](Nc1cc2c(Cc3ccccc3)noc2cn1)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1cccs1)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)-c1cscc1C)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)C1CCCCC1C)c1ccccc1 |r|
C[C@H](Nc1cc2c(noc2cn1)C1CCCN(CCC(N)=O)C1)c1ccccc1 |r|
CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Nc1ccc(cc1)-c1csc2ncnc(N)c12
Nc1ncnc2scc(-c3ccc(NC(=O)c4ccccc4)cc3)c12
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
N[C@H](COc1cncc(c1)-c1cc2ccncc2s1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C\c3ccco3)c2c1)Cc1c[nH]c2ccccc12 |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |r,t:16|
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccccc1C)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(C)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccc(C)cc1)c1ccccc1 |r|
COc1ccccc1-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
COc1cccc(c1)-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
COc1ccc(cc1)-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccccc1F)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(F)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccc(F)cc1)c1ccccc1 |r|
CC(C)c1cccc(c1)-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(c1)C#N)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(c1)N(C)C)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(c1)S(C)(=O)=O)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(C)cc(C)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(Cl)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(Br)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(O)=O)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(=O)NCCO)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCCN)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1NC(C)=O)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1C(N)=O)c1ccccc1 |r|
C[C@H](Nc1cc2n(ncc2cn1)-c1cc(Cl)cc(c1)-c1ccccc1C(N)=O)c1ccccc1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1
CN1CCN(CC1)c1ccc(Nc2ncc(C(C)=O)c(NC3CCCC3)n2)cc1
COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C#N)c2cc1OC
COc1cc2ncn(-c3cc(OCC4CCCO4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCC4CCCO4)c(s3)C#N)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC
Cc1ccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)cc1
NC(=O)c1sc(cc1OCc1ccccc1)-n1cnc2ccccc12
Cc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2ccccc12
Cc1cccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)c1
COc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2ccccc12
COc1cccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)c1
COc1ccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)cc1
NC(=O)c1sc(cc1OCc1ccccc1Cl)-n1cnc2ccccc12
NC(=O)c1sc(cc1OCc1cccc(Cl)c1)-n1cnc2ccccc12
NC(=O)c1sc(cc1OCc1ccc(Cl)cc1)-n1cnc2ccccc12
NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2ccccc12
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccccc12
NC(=O)c1sc(cc1OCc1ccccc1F)-n1cnc2ccccc12
Cc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2cc(Cl)ccc12
Cc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2ccc(Cl)cc12
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2cc(ccc12)C(F)(F)F
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccc(cc12)C(F)(F)F
CS(=O)(=O)c1ccc2n(cnc2c1)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C(N)=O
CS(=O)(=O)c1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
COc1ccc2n(cnc2c1)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C(N)=O
COc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
COc1cc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4Br)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4C#N)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4C(C)=O)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4OC(F)(F)F)c(s3)C(N)=O)c2cc1OC
COc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2cc(OC)c(OC)cc12
COc1cc2ncn(-c3cc(OCc4cccc(c4)N(C)C)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4cccc(N)c4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4cccc(c4)C#N)c(s3)C(N)=O)c2cc1OC
COc1ccc(COc2cc(sc2C(N)=O)-n2cnc3cc(OC)c(OC)cc23)cc1
COc1cc2ncn(-c3cc(OCCc4ccccc4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCCCc4ccccc4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCC4CCCC4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCC4CCCCC4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4cccs4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccsc4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4sccc4Cl)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccco4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccoc4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccncc4)c(s3)C(N)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccnc(Br)c4)c(s3)C(N)=O)c2cc1OC
COC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2cc(OC)c(OC)cc12
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(O)=O)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C#N)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)-c3nnn[nH]3)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=S)c2cc1OC
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(C)=O)c2cc1OC
CNC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2cc(OC)c(OC)cc12
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC
COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2cc1OC |r|
COc1cc2ncn(-c3cc(O[C@@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2cc1OC |r|
COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2c1 |r|
COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1 |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CO)cc12)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCCCN(C)C)cc12)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CN3CCCC3)cc12)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCNCC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(O[C@H]3CCCN(C)CC3)cc12)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(O[C@@H]3CCCN(C)CC3)cc12)c1ccccc1Cl |r|
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Fc1ccc(Cn2nnnc2CN2CCN(CC2)C2CCCC2)cc1
COc1ccc2c(C)n[nH]c3cccc1c23
CCC(=O)Nc1ccc(cc1)-c1nnc(SCC(=O)Nc2nccs2)n1C
COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Clc1ccc(CC(=O)NCCN2CCCC2)cc1
CNC(=O)CC(C(O)=O)c1ccc(OCC(C)C)cc1
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cn1)C(C)C
Cc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)cc1 |c:10|
O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
COc1ccc(Cn2c3ccccc3sc2=O)cc1
Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
Cc1ccc2cc(C(N3CCN(CC3)c3ccccc3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1
CCn1c(SCC(N)=O)nnc1-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(o2)-c2ccc(F)cc2)n1
COc1ccc(CC2NCCC3(O)CCCCC23)cc1
OC(=O)C1(CCC(=O)C1)c1ccccc1
Cn1c2ncn(CCCc3ccccc3)c2c(=O)n(C)c1=O
CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N
CC1(C)CC(=O)C=C(C1)NCc1ccncc1 |c:6|
Cc1ccc(cc1)-n1c(O)c(C=NCCN2CCOCC2)c(=O)[nH]c1=O |w:12.13|
COC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O
CCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
FC(F)(F)C1(NC(=O)c2ccco2)NC(=O)N(CC2CCCCC2)C1=O
O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12
CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
CN1CC2(Cc3cc(C)ccc13)C(=O)NC(=O)N(C2=O)c1ccccc1C
CN1C(=O)N(C)C(=O)C2(Sc3ccccc3C2=O)C1=O
C(Nc1ccccc1)c1nnc2CCCCCn12
CCNC(=O)NC(=O)C(C)OC(=O)c1cccnc1SC
OC(=O)c1ccc(CNC(=O)CN2C(=O)COc3ccccc23)cc1
Brc1ccc(s1)S(=O)(=O)NCC(=O)N1CCCC1
OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
CC(C(=O)N1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O
CCn1ccc(n1)C(=O)Nc1ccc(cc1)N(C)C(C)=O
O=C1CCn2cnc3cccc4ccc1c2c34
CCn1cnc2sc(C(=O)N3CCN(CC3)c3ccc(OC)cc3)c(C)c2c1=O
O=C(Nc1ccccn1)C1CCN(CC1)S(=O)(=O)c1cccc2nonc12
NC(=O)C1(CCN(CC1)C(=O)NC1CCCCC1)N1CCCCC1
CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)NCc1ccccn1
CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1
CCC(Sc1nc2nnc(C)c2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC
CC1Cn2c(S1)nnc2-c1cc2ccccc2cc1O
Cc1nn2c(ncc(NC(=O)c3ccc(C)cc3)c2=O)s1
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1
Cc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)NCc1ccco1
CCOC(=O)c1cc2C(=O)c3ccccc3-n2c1N
C\C(=C/C(=O)Nc1cc(C)on1)c1ccccc1
CCc1nc2cc(Cl)c(Cl)cc2[nH]1
COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
COC(=O)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 |TLB:6:8:12:16.15.18,17:16:12:8.20.9,THB:6:8:15:10.12.18,19:8:12:16.15.18,9:10:15:8.19.20,9:8:15:10.12.18,11:10:15:8.19.20|
C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc12
COc1cccc(OC)c1C(=O)N1CCN(CC1)c1ccccn1
Brc1ccc(cc1)N1CC(=O)N(CC(=O)N2CCCc3ccccc23)C1=O
COC(=O)c1cc(NC(=O)C2CCCO2)cc(c1)C(=O)OC
CCOCCCNC(=O)CCCOc1ccccc1
O=c1[nH]cc(COCc2ccccc2)c(=O)[nH]1
Cc1cc(C)n(n1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:14|
CCn1ncc(CN2CCN(CC2)C(=O)Nc2ccccc2C(=O)OC)c1C
CC1Cc2ccccc2N1C(=O)c1ccc2n(C)nnc2c1
CCc1noc(C)c1C(=O)N1CCOCC1
NC(=O)Cn1c(nc2ccccc12)S(=O)(=O)Cc1ccccc1
CC(C)(C)NC(=O)CC(CC(O)=O)c1ccccc1
COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
CN(C)c1ccc(cc1)C(=O)Nc1nc2CCCCc2s1
OCC(CO)(CO)N=Cc1cc(Br)ccc1O |w:7.6|
OC(=O)COc1ccc(Br)cc1CN=O
O=C(COc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
CC1CCCC(C1)NC1CCCCNC1=O
CC1CN(CCC1=O)C1CC(C)(C)NC(C)(C)C1
Cc1ccc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)cc1
OC(=O)C1CCCCC1C(=O)Nc1ccc2OCCOc2c1
CCC(C)c1ccc(NC(=O)C2CC2)cc1
COc1ccc(cc1)N(C)C1=NS(=O)(=O)c2ccccc12 |t:11|
O=C(N1CCCCC1)c1ccc(cc1)-n1cnnn1
COc1cc(OC)cc(c1)C(=O)NCCCN1CCOCC1
COc1cc(ccc1-n1cnnn1)S(=O)(=O)N1CCCCCC1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
CCOC(=O)c1c(C)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 |w:9.9,t:6|
Oc1ccc2ccc3cccc[n+]3c2c1
Clc1cc(c(Cl)s1)-c1ccnc(SCC=C)n1
Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
CC(C)Sc1nc(N2CCOCC2)c2CN(C)C(C)(C)Cc2c1C#N
Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)C11CCOC(C)(C)C1 |t:10|
O=C(CC1N(CCNC1=O)C(=S)Nc1ccccc1)Nc1ccc2OCCOc2c1
CS(=O)(=O)N1CCN(C\C=C\c2ccccc2)CC1
CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1
Cc1ccc(CNC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)cc1
COc1ccc2C(CC(O)=O)OC(=O)c2c1OC
COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|
O=C(Nc1nc2ccccc2s1)c1cc2COc3ccccc3-c2s1
Cc1nc2cccc(C)n2c(=O)c1Cl
Cn1cc(SCC(=O)Nc2ccc3OCCOc3c2)c2ccccc12
Cn1c(nc2ccccc12)-c1cc2ccc(OC(=O)C(C)(C)C)cc2oc1=O
CCCc1nc2sc3CCCCc3c2c(=O)n1NC(=O)CCC(O)=O
Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21
CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1 |w:4.3|
CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3|
CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1 |w:4.3|
CCOc1ccccc1N1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:17|
CC(C)Nc1nnc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)s1
O=C1C(=O)c2ccccc2-c2ccccc12
Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(C)c2)c(C)c1[N+]([O-])=O
Cc1cccc2[nH]c3c(ncnc3c12)N1CCN(CC1)C(=O)c1ccco1
Nc1cc(nn1S(=O)(=O)c1cccc2nsnc12)-c1ccc(Br)cc1
NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
Clc1cccc(Cl)c1Cn1cccc(NC(=O)c2c(Cl)cccc2Cl)c1=O
Nc1cc2nsnc2cc1Br
Cc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCCCN1CCOCC1
Cc1ccccc1Oc1ncnc2oc(cc12)-c1ccccc1
OC1(N2CCCCC2)C(=O)Nc2ccc(cc12)[N+]([O-])=O
CCN1C(=O)\C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc12
[O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
[O-][N+](=O)c1ccc(cc1NCC1CCCO1)N1CCNCC1
[O-][N+](=O)c1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
Cc1cc(NCCCN)nc(n1)-c1ccccc1O
Oc1ccc2oc3c(CCCNC3=O)c2c1
CCC(=O)Nc1c2CSCc2nn1-c1ccccc1C
CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1
[H][C@]12C[C@H](NC)[C@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |TLB:13:12:11:6.3.2,19:35:11:6.3.2,THB:7:6:11:12.33.35.34,32:33:11:6.3.2,26:34:11:6.3.2|
c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N
CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1
CCc1n[nH]c2cccc3c(OC)ccc1c23
Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1
Nc1nc2ccc(c(N)c2s1)[N+]([O-])=O
Clc1cncc(Cl)c1N=NCc1ccncc1 |w:8.8|
CCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=O)[nH]c1=O
CCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=S)[nH]c1=O
CCOC(=O)c1ccc(NS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
CCOC(=O)c1cccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)c1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccccc1
CCOc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
CCCCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
CCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
CCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
CCOC(=O)c1ccc(NC(=O)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1
Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccccc1
Nc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1
CCOC(=O)c1cccc(NC(=O)c2c(NCc3ccccc3)[nH]c(=O)[nH]c2=O)c1
COc1ccccc1NS(=O)(=O)c1c(N)[nH]c(=O)[nH]c1=O
CCOc1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
CCCCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
CCOC(=O)c1ccccc1NC(=O)c1c(N)n(C)c(=O)[nH]c1=O
Cn1c(N)c(C(=O)Nc2ccccc2)c(=O)[nH]c1=O
CCOC(=O)c1cccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)c1
CCOC(=O)c1ccc(NC(=O)c2c(NCc3ccccc3)[nH]c(=O)[nH]c2=O)cc1
Cn1c(N)c(c(=O)n(C)c1=O)S(=O)(=O)NCc1ccccc1
CCOC(=O)CCCCCNC(=O)C1C(=O)NC(=O)NC1=O
[#6]-c1cccc(-[#7]-[#7]\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c1
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1ccncc1)=[#6]-1/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-1=O
CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1
Fc1ccc(C(=O)Nc2ccccc2)c(F)c1
Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1
CCOC(=O)CCCCCNC(=O)c1ccc(F)cc1F
CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1
CCOC(=O)c1ccccc1NC(=O)c1ccc(F)cc1F
CCOC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1
CCCCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CP(O)(O)=O)C(N)=O |r|
COP(O)(=O)O[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCCN1C(C)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCC[C@@H](O)CO)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCC(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCCCC=C)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCc1cccs1)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCCCc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCCCCc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCCCCCc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCCCCCCc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCCCCCCCc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCCCCCCCCc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(=O)OCCCCCCCCCCc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CC[C@@H](O)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCC=C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CP(O)(O)=O)C(N)=O |r|
COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CP(O)(O)=O)C(N)=O |r|
COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
NC(=O)c1nn(CCF)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
CN1CCN(CC1)c1ccc(C)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C([O-])=O)c1
CN(C)CCCN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
COc1ccc(CO)cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CC(C)C[C@@H](NC(=O)CN(CCCCCCc1ccccc1)C(C)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CO)C(=O)N[C@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@@H](NC(=O)CCCCCCCCc1ccccc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CO)C(=O)N[C@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@@H](NC(=O)CN(CCCCc1ccccc1)C(C)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CO)C(=O)N[C@H]([C@@H](C)CP(O)(O)=O)C(N)=O |r|
Oc1ccc2oc(=O)c3NCCCc3c2c1
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(ccc3OC(F)(F)F)N3CCN(C)CC3)ncc2N(C)C1=O |r|
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCF)c4-c3n2)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C([O-])=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCCl)c4-c3n2)C(N)=O)c1
CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3cc(ccc3OC)N3CCN(C)CC3)nc-21
CN1CCC(=CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 |c:4|
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)C3(CC3)CN(C3CCCC3)c2n1)C(=O)NN1CCN(C)CC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)C3(CC3)CN(C3CCCC3)c2n1)C(=O)NN1CCCC1
CNC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |w:1.0|
CNC(=O)c1cc(n[nH]1)-c1cccc(OC)c1 |w:1.0|
CNC(=O)CN1C(=O)COc2ccc(C)cc12 |w:1.0|
CNC(=O)CSc1ncnc2sc(C)cc12 |w:1.0|
CNC(=O)c1cc(c(s1)C(F)(F)F)-c1ccccc1
CNC(=O)c1ccc(cc1)-c1noc(C)n1 |w:1.0|
CNC(=O)c1cc(-c2ccccc2)n(c1C)-c1ccccc1 |w:1.0|
CNC(=O)c1cc(CCCN2CCOCC2)n(c1C)-c1ccccc1 |w:1.0|
CNC(=O)c1ccc2ncccc2c1 |w:1.0|
CNC(=O)Cn1cc(ncc1=O)-c1ccc(C)cc1 |w:1.0|
CNC(=O)c1cc(OC)c2OCCOc2c1 |w:1.0|
CNC(=O)c1sc(c(c1N)-c1ccccc1)C(F)(F)F
CNC(=O)c1cccc2ccccc12 |w:1.0|
CNC(=O)c1ccc(cc1)OC
CNC(=O)c1ccc(OC)c2ccccc12 |w:1.0|
CCCOc1ccc(cc1)C(=O)NC |w:12.13|
CCOc1ccc(cc1)C(=O)NC |w:11.12|
CCc1ccc(cc1)C(=O)NC |w:10.11|
CNC(=O)c1ccc(SC)cc1 |w:1.0|
CNC(=O)c1ccc(NC)cc1 |w:1.0|
CCCc1ccc(cc1)C(=O)NC |w:11.12|
CCCCc1ccc(cc1)C(=O)NC |w:12.13|
CCCNc1ccc(cc1)C(=O)NC |w:12.13|
CN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(CCC1=O)C1CCCC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
CN1c2cnc(nc2N(CCC1=O)C3CCCC3)Nc4ccc(cc4OC)N5CCC(CC5)O
COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N(C)CCO
COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N(C)CCCO
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCN(CCO)CC1
CN1c2cnc(nc2N([C@@H]3CCC[C@@H]3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N
COc3cc(N2CCC(N1CCN(C)CC1)CC2)ccc3Nc4ncc6c(n4)n(C)c5sc(C)nc5c(=O)n6C
NC(=O)C(=C\c1ccc(cc1)-c1ncnc2[nH]cnc12)\C#N
NC(=O)C(=C\c1ccc(cc1)-c1c[nH]c2ncccc12)\C#N
NC(=O)C(=C\c1ccc(cc1)-c1ccncc1)\C#N
NC(=O)C(=C\c1ccc(cc1)-c1cn[nH]c1)\C#N
N#C\C=C\c1ccc(cc1)-c1ccncc1
CCOP(=O)(OCC)C(=C\c1ccc(cc1)-c1ccncc1)\C#N
NC(=O)C(=C\c1nc2c(N)ncnc2n1CCCO)\C#N
COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(N)=O)cc12
CNC(=O)C(=C\c1ccc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c2c1)\C#N
COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(=O)N(C)C)cc12
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
C[C@@H]1N(C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)nc(C)c2N(C)C1=O
CC[C@]1(C)N(C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)ncc2N(C)C1=O
CC[C@@]1(C)N(C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)ncc2N(C)C1=O
C[C@@H]1N(C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(CC4CCC4)c3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(CCc4ccc(F)cc4)c3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(CC4CCC4)c3)nc(C)c2N(C)C1=O
C[C@@H]1N(C)c2nc(NCc3cnn(CCc4ccc(F)cc4)c3)nc(C)c2N(C)C1=O
CC[C@@H]1N(C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)ncc2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(Cc4cc(F)c(F)c(F)c4)c3)nc(C)c2N(C)C1=O
CC[C@@H]1N(C)c2nc(NCc3cnn(Cc4cc(F)c(F)c(F)c4)c3)ncc2N(C)C1=O
CC[C@@H]1N(C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)ncc2N(CC)C1=O
CCN1[C@@H](C)C(=O)N(C)c2cnc(NCc3cnn(Cc4ccc(F)cc4)c3)nc12
CCCC1N(C)c2nc(NCc3cnn(Cc4cc(F)c(F)c(F)c4)c3)ncc2N(C)C1=O
CCCC1N(C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)ncc2N(C)C1=O
CCN1C(C)C(=O)N(CC)c2cnc(NCc3cnn(Cc4ccc(F)cc4)c3)nc12
CCC1N(C(C)C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)ncc2N(C)C1=O
CCN1C(=O)[C@](C)(CC)N(CC)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)ncc12
COc1c(F)cc(Cn2cc(CNc3ncc4NC(=O)[C@H](C)N(C)c4n3)cn2)cc1F
COc1c(F)cc(Cn2cc(CNc3nc(C)c4NC(=O)[C@H](C)N(C)c4n3)cn2)cc1F
C[C@@H]1N(C)c2nc(NCc3cnn(Cc4cccc(c4)C(F)(F)F)c3)nc(C)c2NC1=O
CCN1[C@@H](CCO)C(=O)N(CC)c2cnc(NCc3cnn(Cc4cc(F)c(OC)c(F)c4)c3)nc12
C[C@@H]1N(C)c2nc(NCc3cnn(Cc4cc(F)c(O)c(F)c4)c3)ncc2NC1=O
CCN1C(=O)[C@H](C)N(C(C)C)c2nc(NCc3cnn(Cc4cc(F)c(F)c(F)c4)c3)ncc12
C[C@@H]1N(C)c2nc(NCc3ccc(Oc4ccc(F)cc4)nc3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(c3)[C@H]3C[C@@H](C3)c3ccc(F)cc3)nc(C)c2NC1=O |wU:14.14,1.0,wD:16.19,(,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;10.67,-3.08,;10.83,-4.61,;12.34,-4.93,;13.11,-3.6,;12.08,-2.45,;14.64,-3.44,;15.61,-2.24,;16.8,-3.21,;15.84,-4.41,;18.34,-3.05,;18.96,-1.64,;20.49,-1.48,;21.4,-2.73,;22.93,-2.57,;20.77,-4.13,;19.24,-4.29,;6.67,-.77,;5.33,,;5.33,1.54,;4,-.77,;2.67,,;1.33,-.77,;)|
C[C@@H]1N(C)c2nc(NCc3cnn(CCC4CCCCC4)c3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(c3)C3Cc4ccccc4C3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(Cc4ccc(nc4)C(F)(F)F)c3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(Cc4c(C)noc4C)c3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(Cc4cc(nn4C)C(F)(F)F)c3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(NCc3cnn(Cc4ccc(o4)C(F)(F)F)c3)nc(C)c2NC1=O
CN1c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)nc(C)c2NC(=O)C11CC1
CN1C(=O)C2(CC2)N(C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)nc(C)c12
CN1C(=O)C(C)(C)N(C)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)ncc12
CN1C(=O)C(C)(C)N(C)c2nc(NCc3cnn(Cc4cc(F)c(F)c(F)c4)c3)ncc12
CCN1C(=O)[C@@](C)(CC)N(CC)c2nc(NCc3cnn(Cc4ccc(F)cc4)c3)ncc12
C[C@@H]1N(C)c2nc(N[C@H]3C[C@@H](C3)Oc3cc(F)c(F)c(F)c3)nc(C)c2NC1=O |wU:8.7,1.0,wD:10.12,(,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.09,-5.71,;8,-6.8,;6.91,-5.71,;8,-8.34,;6.67,-9.11,;6.67,-10.65,;5.33,-11.42,;5.33,-12.96,;4,-10.65,;2.67,-11.42,;4,-9.11,;2.67,-8.34,;5.33,-8.34,;6.67,-.77,;5.33,,;5.33,1.54,;4,-.77,;2.67,,;1.33,-.77,;)|
C[C@@H]1N(C)c2nc(N[C@H]3C[C@H](C3)Oc3cc(F)c(F)c(F)c3)nc(C)c2NC1=O |wU:8.7,10.12,1.0,(,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.09,-5.71,;8,-6.8,;6.91,-5.71,;8,-8.34,;6.67,-9.11,;6.67,-10.65,;5.33,-11.42,;5.33,-12.96,;4,-10.65,;2.67,-11.42,;4,-9.11,;2.67,-8.34,;5.33,-8.34,;6.67,-.77,;5.33,,;5.33,1.54,;4,-.77,;2.67,,;1.33,-.77,;)|
C[C@@H]1N(C)c2nc(N[C@H]3C[C@@H](C3)Oc3cc(F)c(F)c(F)c3)nc(C)c2N(C)C1=O |wU:8.7,1.0,wD:10.12,(,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.09,-5.71,;8,-6.8,;6.91,-5.71,;8,-8.34,;6.67,-9.11,;6.67,-10.65,;5.33,-11.42,;5.33,-12.96,;4,-10.65,;2.67,-11.42,;4,-9.11,;2.67,-8.34,;5.33,-8.34,;6.67,-.77,;5.33,,;5.33,1.54,;4,-.77,;2.67,,;2.67,1.54,;1.33,-.77,;)|
C[C@@H]1N(C)c2nc(N[C@H]3C[C@@H](C3)OCc3cc(F)c(F)c(F)c3)nc(C)c2NC1=O |wU:8.7,1.0,wD:10.12,(,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.09,-5.71,;8,-6.8,;6.91,-5.71,;8,-8.34,;9.34,-9.11,;9.34,-10.65,;10.67,-11.42,;10.67,-12.96,;12,-13.73,;9.34,-13.73,;9.34,-15.27,;8,-12.96,;6.67,-13.73,;8,-11.42,;6.67,-.77,;5.33,,;5.33,1.54,;4,-.77,;2.67,,;1.33,-.77,;)|
C[C@@H]1N(C)c2nc(N[C@@H]3CC[C@H](C3)Oc3cc(F)c(F)c(F)c3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(N[C@H]3CC[C@@H](C3)Oc3cc(F)c(F)c(F)c3)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(N[C@@H]3C[C@H](Cn4nccc4C(F)(F)F)C3)nc(C)c2NC1=O |wU:8.7,10.10,1.0,(,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.91,-5.71,;8,-6.8,;8,-8.34,;9.34,-9.11,;10.74,-8.48,;11.77,-9.63,;11,-10.96,;9.5,-10.64,;8.35,-11.67,;7.21,-12.7,;7.32,-10.53,;9.38,-12.81,;9.09,-5.71,;6.67,-.77,;5.33,,;5.33,1.54,;4,-.77,;2.67,,;1.33,-.77,;)|
C[C@@H]1N(C)c2nc(N[C@@H]3CC[C@H](C3)n3ccc(n3)C(F)(F)F)nc(C)c2NC1=O
C[C@@H]1N(C)c2nc(N[C@H]3C[C@@H](C3)Oc3ccnc(c3)C(F)(F)F)nc(C)c2NC1=O |wU:8.7,1.0,wD:10.12,(,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.09,-5.71,;8,-6.8,;6.91,-5.71,;8,-8.34,;6.67,-9.11,;5.33,-8.34,;4,-9.11,;4,-10.65,;5.33,-11.42,;6.67,-10.65,;5.33,-12.96,;5.33,-14.5,;3.79,-12.96,;6.87,-12.96,;6.67,-.77,;5.33,,;5.33,1.54,;4,-.77,;2.67,,;1.33,-.77,;)|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(O)=O |r|
O=c1n(CCc2ccccc2)c2n[nH]c(=S)n2c2ccccc12
O=c1[nH]nc2n(CCc3ccccc3)c(=O)c3ccccc3n12
Nc1nnc2n(CCc3ccccc3)c(=O)c3cc(F)ccc3n12
Cc1nnc2n(CCc3ccccc3)c(=O)c3cc(F)ccc3n12
Fc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1nncn21
CSc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12
CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
C=CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CCCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CC(C)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CC(C)n1c2n[nH]c(=S)n2c2ccccc2c1=O
FC(F)(F)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
COCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CCOCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CCC(C)NC(=O)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CC(C)NC(=O)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CC(C)CNC(=O)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Cc1cccc(c1C)-n1c2n[nH]c(=S)n2c2ccccc2c1=O |(5.33,.94,;4,1.71,;4,3.25,;2.67,4.02,;1.33,3.25,;1.33,1.71,;2.67,.94,;2.67,-.6,;,.94,;,-.6,;1.14,-1.63,;.52,-3.04,;-1.01,-2.88,;-2.04,-4.02,;-1.33,-1.37,;-2.67,-.6,;-4,-1.37,;-5.33,-.6,;-5.33,.94,;-4,1.71,;-2.67,.94,;-1.33,1.71,;-1.33,3.25,)|
Fc1ccc(Cn2c3n[nH]c(=S)n3c3ccccc3c2=O)cc1
CCCn1c2nn(CN(C)C3CC3)c(=S)n2c2ccccc2c1=O
CCCN(C)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S
CCCN(C)Cn1nc2n(CCC)c(=O)c3ccccc3n2c1=S
CCCn1c2nn(CN(CC)CC(C)C)c(=S)n2c2ccccc2c1=O
CCCn1c2nn(CC(=O)c3ccccc3)c(=S)n2c2ccccc2c1=O
Fc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21
Brc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21
Ic1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21
Cc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21
CC(=O)Nc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21
CN(C)c1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21
O=c1n(CCc2ccccc2)c2n[nH]c(=S)n2c2ccc(cc12)N1CCOCC1
Fc1ccc2c(c1)n1c(n[nH]c1=S)n(CCc1ccccc1)c2=O
Fc1cccc2c1n1c(n[nH]c1=S)n(CCc1ccccc1)c2=O
O=c1n(CCc2ccccc2)c2n[nH]c(=S)n2c2cccnc12
O=c1n(CCc2ccccc2)c2n[nH]c(=S)n2c2cnccc12
O=c1n(CCc2ccccc2)c2n[nH]c(=S)n2c2ncccc12
Fc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCc1ccccc1)c1n[nH]c(=S)n21
CCCn1c2n[nH]c(=S)n2c2ccc(Cl)cc2c1=O
FC(F)(F)CCn1c2n[nH]c(=S)n2c2ccc(Cl)cc2c1=O
CC(C)OCCCn1c2n[nH]c(=S)n2c2ccc(Cl)cc2c1=O
CC(C)NC(=O)CCn1c2n[nH]c(=S)n2c2ccc(Cl)cc2c1=O
CC(C)NC(=O)CCn1c2n[nH]c(=S)n2c2ccc(C)cc2c1=O
CCCn1c2n[nH]c(=S)n2c2cc(ccc2c1=O)C(=O)NC(C)C
CC(C)CCn1c2n[nH]c(=S)n2c2cc(ccc2c1=O)C(=O)NC1CCCC1
Cn1c2n[nH]c(=S)n2c2cc(ccc2c1=O)C(=O)NC1CCCC1
CNC(=S)N1CN(CCc2ccccc2)C(=O)c2cc(F)ccc12
CCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
Fc1ccc2c(c1)c(=O)n(CCC(F)(F)F)c1n[nH]c(=S)n21
OCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
NCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
NCCCn1c2n[nH]c(=S)n2c2c(F)cccc2c1=O
CN(C)CCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CC(CN(C)C)n1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CC(=O)NCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)c1ccccc1)c1n[nH]c(=S)n21
CS(=O)(=O)NCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CS(=O)(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
OP(O)(=O)CCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CCOP(=O)(CCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O)OCC
Fc1ccc2c(c1)c(=O)n(CC1CC1)c1n[nH]c(=S)n21
C[C@H]1C[C@@H]1n1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |r|
Fc1ccc2c(c1)c(=O)n(CCc1ccccc1Cl)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCc1ccc(Cl)cc1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCc1ccccn1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCc1cccnc1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCc1ccncc1)c1n[nH]c(=S)n21
CC(C)(C)OC(=O)N1CC(CCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)C1
CN1CCCC1CCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
Fc1ccc2c(c1)c(=O)n(CCN1CCCCC1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCN1CCC(F)(F)CC1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCN1CCOCC1)c1n[nH]c(=S)n21
CN1CCN(CCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)CC1
CC(C)(C)OC(=O)N1CCN(CCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)CC1
Fc1ccc2c(c1)c(=O)n(CCC1CCC(F)(F)CC1)c1n[nH]c(=S)n21
NCCOCCOCCOCCOCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
N[C@@H](CCC(O)=O)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |r|
CC(C)(C)OC(=O)CC[C@H](N)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |r|
NCCOCCOCCOCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
NCCCCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CC(C)(C)OC(=O)NCCCCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
CC(C)(C)OC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |r|
CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |r|
CC(C)(C)OC(=O)CC[C@H](N)C(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |r|
N[C@@H](CCC(O)=O)C(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |r|
OC(=O)CCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
NS(=O)(=O)CCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)C1CCCC1)c1n[nH]c(=S)n21
CC(C)(C)[C@H]1CC[C@@H](CC1)C(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |r,wU:4.3,wD:7.10,(22.73,-19.57,;22.74,-18.03,;24.07,-17.27,;24.06,-18.79,;21.41,-17.25,;20.07,-18.01,;18.74,-17.24,;18.76,-15.7,;20.08,-14.93,;21.42,-15.71,;17.42,-14.92,;17.43,-13.38,;16.09,-15.69,;14.76,-14.92,;13.42,-15.68,;12.09,-14.91,;10.75,-15.68,;10.75,-17.23,;11.9,-18.27,;11.27,-19.68,;9.73,-19.52,;8.7,-20.66,;9.41,-18,;8.06,-17.23,;6.73,-17.99,;5.4,-17.22,;5.4,-15.68,;4.07,-14.91,;6.73,-14.91,;8.07,-15.67,;9.41,-14.89,;9.41,-13.35,)|
CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |(51.48,-23.05,;50.15,-22.27,;48.81,-23.03,;50.13,-23.8,;50.16,-20.73,;48.83,-19.95,;47.49,-20.71,;48.84,-18.41,;47.51,-17.63,;46.17,-18.39,;44.85,-17.62,;44.85,-16.08,;46.18,-15.31,;47.52,-16.09,;43.53,-15.3,;43.53,-13.76,;42.19,-16.07,;40.86,-15.3,;39.52,-16.06,;38.19,-15.29,;36.86,-16.06,;36.85,-17.61,;38,-18.65,;37.37,-20.06,;35.84,-19.9,;34.8,-21.04,;35.51,-18.38,;34.17,-17.61,;32.84,-18.38,;31.5,-17.6,;31.5,-16.06,;30.17,-15.29,;32.83,-15.29,;34.17,-16.05,;35.51,-15.27,;35.51,-13.73,)|
NC1CCC(CC1)C(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |(75.87,-19.99,;74.55,-19.21,;73.21,-19.97,;71.88,-19.2,;71.89,-17.66,;73.22,-16.89,;74.55,-17.67,;70.56,-16.89,;70.57,-15.35,;69.23,-17.65,;67.9,-16.88,;66.56,-17.65,;65.23,-16.87,;63.89,-17.64,;63.89,-19.2,;65.04,-20.23,;64.41,-21.64,;62.87,-21.48,;61.84,-22.62,;62.55,-19.97,;61.2,-19.19,;59.88,-19.96,;58.54,-19.19,;58.54,-17.64,;57.21,-16.87,;59.87,-16.87,;61.21,-17.64,;62.55,-16.86,;62.55,-15.32,)|
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)C1CCCCN1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)C1CCCNC1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)C1CCNCC1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)C1CCOCC1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)CC1CCNCC1)c1n[nH]c(=S)n21
CN1CCN(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)CC1
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)CN1CCOCC1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)c1ccc(Cn3ccnc3)cc1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccccc1)c1n[nH]c(=S)n21
Cc1noc(C)c1CCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
Fc1cccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)c1
Fc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1cccc(Cl)c1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccc(Br)cc1)c1n[nH]c(=S)n21
Cc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
Oc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
COc1ccccc1CC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
COc1cccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)c1
COc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccccc1C(F)(F)F)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1cccc(c1)C(F)(F)F)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccccc1C#N)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccc(cc1)C#N)c1n[nH]c(=S)n21
CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccccn1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1cccnc1)c1n[nH]c(=S)n21
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccncc1)c1n[nH]c(=S)n21
CCCn1c2n[nH]c(=S)n2c2c(F)cccc2c1=O
CCCn1c2n[nH]c(=S)n2c2c(Cl)cccc2c1=O
CCCn1c2n[nH]c(=S)n2c2c(OC)cccc2c1=O
CCCn1c2nnc(SC(C)=O)n2c2ccccc2c1=O
CCCn1c2nnc(SC)n2c2ccccc2c1=O
CCCn1c2nnc(SC)n2c2ccc(F)cc2c1=O
CCCn1c2nnc(SC)n2c2c(F)cccc2c1=O
CCCn1c2nnc(SC)n2c2c(Cl)cccc2c1=O
CCCn1c2nnc(SC)n2c2c(OC)cccc2c1=O
CSc1sc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12
CCOc1sc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(sc(SCCO)c4-c3n2)C(N)=O)c1
CSc1sc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)F)N4CCN(C)CC4)nc3-c12
CSc1sc(C(N)=O)c2CCc3cnc(Nc4cc(ncc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(sc(CCO)c4-c3n2)C(N)=O)c1
CSc1sc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12
CSc1sc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CCO)CC4)nc3-c12
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(csc4C(N)=O)-c3n2)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(sc(C#N)c4-c3n2)C(N)=O)c1
CSc1sc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4=O)nc3-c12
CSc1sc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CC5CC(C4)N5C)nc3-c12
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(sc(C5CC5)c4-c3n2)C(N)=O)c1
COc1nnc(cc1Nc1ncc2CCc3c(sc(SC)c3-c2n1)C(N)=O)N1CCN(C)CC1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(sc(OC5CC5)c4-c3n2)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(sc(-c5ccco5)c4-c3n2)C(N)=O)c1
CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCN(C)C(=O)CO[C@H]4CC[C@H]5[C@@H]6CC[C@H]7CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3OC)nc2N1C1CCCC1
CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
CC(Oc1cc(sc1C(N)=O)-n1cnc2ccccc12)c1ccccc1C(F)(F)F
Cc1cc(-c2ccc(cc2)C#N)c(OCCO)c(c1)-c1ccc(cc1)-c1nnn[nH]1
[O-][N+](=O)c1ccccc1\C=C\C(=O)NNC(=O)c1ccc2OCCOc2c1
COc1cccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)c1
[O-][N+](=O)c1cccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)c1
Fc1ccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)cc1
Clc1ccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)cc1
Cc1ccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)cc1
COc1ccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)cc1
[O-][N+](=O)c1ccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)cc1
O=C(NNC(=O)c1ccc2OCCOc2c1)\C=C\c1ccccc1
CC(C)C1=CC(=O)C(\C=N\OC(=O)c2ccccc2C)=CC1=O |c:20,t:3|
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r|
C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc-4c(Cc5ccccc-45)c3)n2)c(=O)c1=O
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4ncsc4c3)n2)c(=O)c1=O
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4OCCc4c3)n2)c(=O)c1=O
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3csnn3)n2)c(=O)c1=O
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4c(c3)[nH]c3ccccc43)n2)c(=O)c1=O
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c(=O)c1=O
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3cn[nH]c3)n2)c(=O)c1=O
CC(=O)N1CCc2cc(Nc3nccc(Nc4c(NC(C)(C)C)c(=O)c4=O)n3)ccc12
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccn3)n2)c(=O)c1=O
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3cccnc3)n2)c(=O)c1=O
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4[nH]ncc4c3)n2)c(=O)c1=O
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Oc1ccc(\C=C2\Oc3ccccc3C2=O)cc1O
O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
CCN(CC)CC(O)Cn1cc(C(O)=O)c2ccccc12
OC(CN1CCCCC1)Cn1cc(C(O)=O)c2ccccc12
OC(CN1CCCC1)Cn1cc(C(O)=O)c2ccccc12
CN1CCN(CC(O)Cn2cc(C(O)=O)c3ccccc23)CC1
CCN(CC)CC(O)Cn1cc(CC(O)=O)c2ccccc12
OC(CN1CCCCC1)Cn1cc(CC(O)=O)c2ccccc12
OC(CN1CCCC1)Cn1cc(CC(O)=O)c2ccccc12
CN1CCN(CC(O)Cn2cc(CC(O)=O)c3ccccc23)CC1
OC(CN1CCOCC1)Cn1cc(CC(O)=O)c2ccccc12
OC(CN1CCCCC1)Cn1cc(CCC(O)=O)c2ccccc12
OC(CN1CCCC1)Cn1cc(CCC(O)=O)c2ccccc12
CC1=CC(=O)C(=CC1=O)C(C)C
OC(CN1CCCCC1)Cn1cc(CCC(=O)c2ccccc2)c2ccccc12
COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC
NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)|
Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(3.73,4.94,;3.72,3.71,;4.78,3.08,;2.38,2.95,;1.05,3.73,;1.06,4.97,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.05,3.73,;2.38,2.95,;2.5,1.43,;4,1.09,;4.49,-.04,;4.79,2.42,;3.77,3.57,;4.03,4.78,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;2.12,4.34,;1.93,3.21,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.1,3.76,;2.47,3.09,;3.52,4.21,;2.78,5.56,;1.27,5.27,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
[H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)|
CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)|
Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.52,4.21,;2.78,5.56,;1.27,5.27,;1.1,3.76,;2.47,3.09,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
[H][C@]1(C(C)O)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:11.13,1.0,TLB:2:1:7.6:9.10,THB:12:11:7.6:9.10,(-.64,1.54,;.13,.87,;1.58,1.51,;1.76,2.72,;2.54,.74,;1.38,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.67,-3.13,;-6.25,-1.7,;-5.29,-.49,;-5.75,.65,;-3.58,-4.78,;-4.4,-6.03,;-3.42,-7.22,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.27,;-.83,-4.26,;-2.1,-5.13,)|
CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(3.45,3.56,;2.38,2.95,;1.05,3.73,;1.06,4.97,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.34,-.85,;6.12,-.67,;5.04,-1.77,;3.68,-1.07,;3.89,.44,;5.4,.7,;2.26,-1.79,;2.13,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.36,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.58,3.76,;-2.94,3.04,;-2.99,1.5,;-1.68,.69,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.21,7.66,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.88,;3.52,6.58,;1.25,5.75,;-.25,6.14,)|
COC(=O)c1cc2c(CN3CCCCC3)n[nH]c2s1
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3ccc(Cl)cc3)c12
CC(=O)Nc1c(sc2n[nH]c(C)c12)C(N)=O
CCCCN(C)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1
COC(=O)c1cc2c(Nc3ccccc3)[nH]nc2s1
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)Nc3ccccc3)c12
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)COc3ccccc3)c12
O=C(NC1CCCCC1)c1cc2c(n[nH]c2s1)-c1ccccc1
Cc1n[nH]c2sc(cc12)C(N)=O
CN1CCN(CC1)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1
COC(=O)c1cc2c(C)n[nH]c2s1
O=C(NCCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1
CCCCNC(=O)c1cc2c(C)n[nH]c2s1
Cc1n[nH]c2sc(cc12)C(=O)NCc1ccccc1
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3cccs3)c12
COc1ccc(CNC(=O)c2cc3c(n[nH]c3s2)-c2ccccc2)cc1
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3ccccc3Cl)c12
COC(=O)C(=O)Nc1c(sc2n[nH]c(C)c12)C(N)=O
Cc1n[nH]c2sc(cc12)C(=O)NC1CCCCC1
CCCCN(C)C(=O)c1cc2c(C)n[nH]c2s1
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3cccc(Cl)c3)c12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(CC)C1=O |r|
CC[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc(ccc1Nc1ncc2N(Cc3ccccc3)C(=O)[C@@H](Cc3ccccc3)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
CC[C@H]1N(CC(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(Cc2cccc(Br)c2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(OC)c3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Oc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F
CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
CCN1C(=O)[C@H](CNc2ccc(NC(=O)NCCN3CCCC3)cc2)S\C1=C(\C#N)C(=O)OCC=C |r|
CCN1C(=O)C(CNc2ccc(cc2)C(C)=O)S\C1=C(\C#N)C(=O)OCC=C
CCN(CC)CCNC(=O)c1c[nH]c2ccc(N\C=c3\s\c(=C(\C#N)C(=O)NCC(F)(F)F)n(CC)c3=O)cc12
CCn1c(=O)\c(=C/Nc2ccc(OCCN(C)C)cc2)s\c1=C(\C#N)C(=O)NC#C
CCn1c(=O)\c(=C/Nc2ccc(OCCN(C)C)cc2)s\c1=C(\C#N)C(=O)NCC(F)F
CCn1c(=O)\c(=C/Nc2ccc(CCN3CCCC3)cc2)s\c1=C(\C#N)C(=O)NCC(F)(F)F
CCOC(=O)C(\C#N)=c1/s\c(=C\Nc2ccccc2F)c(=O)n1CC
CCn1c(=O)\c(=C/Nc2ccccc2)s\c1=C(\C#N)C(=O)N1CCCC1
CN(C(C)=O)c1cccc(Nc2nc(NCCc3cccs3)ncc2-c2nnn[nH]2)c1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
CCCN(CC1CC1)c1nc(NC(C)c2ccccc2)ncc1C#N
COc1cccc(Nc2nc(NC(C)c3ccccc3)ncc2C#N)c1
CC(Nc1ncc(C#N)c(n1)N1CCc2ccccc2C1)c1ccccc1
CC(C)(C)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[nH]2)cc1
C(Cc1cccs1)Nc1ncc(-c2nnn[nH]2)c(Nc2ccc3OCCOc3c2)n1
[O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cccc(c2)[N+]([O-])=O)cc1
CC(=O)Nc1cccc(c1)-c1ccnc(Nc2ccc(O)cc2)n1
Clc1ccc(Nc2nccc(n2)-c2cccc(Cl)c2)cc1
c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
CCCOC(=O)C(\C#N)=c1/s\c(=C\Nc2ccc(O)cc2)c(=O)n1CC
CCOC(=O)C(\C#N)=c1/s\c(=C\Nc2ccc(NC(=O)NCCN3CCCC3)cc2)c(=O)n1CC
CCOC(=O)C(\C#N)=c1/s\c(=C\Nc2cccc(C)c2)c(=O)n1CC
CCOC(=O)C(C#N)=c1sc(=CNc2ccc(cc2)C(C)=O)c(=O)n1CC |w:11.11,5.5|
CCn1c(=O)\c(=C/Nc2cccc(NC(=O)C(C)(C)C)c2)s\c1=C(\C#N)C(=O)NC1(CO)CCCC1
CCNC(=O)C(\C#N)=c1/s\c(=C\Nc2cccc(c2)C(=O)NCCCN2CCCC2)c(=O)n1CC
FC(F)(F)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[nH]2)cc1
CCOC(=O)C(\C#N)=c1/s\c(=C\Nc2ccc(NC(=O)COC)cc2)c(=O)n1CC
CC(Nc1ncc(C#N)c(OCC2CCCCO2)n1)c1ccccc1
CCCN(CC1CC1)c1nc(NCc2ccc3OCOc3c2)ncc1C#N
Oc1ccc(\C=C2\C(=O)C(C3=C4C(=Nc5ccccc45)\C(=C/c4ccc(O)cc4)C3=O)=C3C2=Nc2ccccc32)cc1 |c:12,34,t:10,37|
NC(=O)c1sc2c(cc(cc2[n+]1[O-])C(F)(F)F)[N+]([O-])=O
Nc1cccc(c1)-c1ccnc(Nc2ccc(O)cc2)n1
NC(=O)c1sc2c(cc(cc2[n+]1[O-])C#N)[N+]([O-])=O
CNc1cccc(c1)-c1ccnc(Nc2ccc(O)cc2)n1
[O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C#N)C(F)(F)F
[O-]n1c2cc(cc([N+]([O-])=O)c2sc1=[OH+])C(F)(F)F
[O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCC1)C(F)(F)F
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
Cc1nc(-c2ccccc2)n2nc(NCc3ccccc3)ncc12
Cc1nc(-c2ccccc2)n2nc(N)ncc12
Cc1nc(-c2ccccc2)n2nc(NCCc3ccncc3)ncc12
Cc1nc(-c2ccccc2)n2nc(NCCCN3CCOCC3)ncc12
Cc1nc(-c2ccccc2)n2nc(NC3CCCCC3)ncc12
Cc1nc(-c2ccccc2)n2nc(Nc3ccccc3)ncc12
COc1cccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)c1
COc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1
CN(C)CCOc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1
Cc1nc(-c2ccccc2)n2nc(Nc3cccc(c3)C(F)(F)F)ncc12
Cc1nc(-c2ccccc2)n2nc(Nc3ccc(cc3)[N+]([O-])=O)ncc12
Cc1nc(-c2ccccc2)n2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc12
COc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1OC
Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC
COc1ccccc1-c1nc(C)c2cnc(Nc3cc(OC)c(OC)c(OC)c3)nn12
COc1cc(Nc2ncc3c(C)nc(-c4ccccc4[N+]([O-])=O)n3n2)cc(OC)c1OC
COc1cc(Nc2ncc3c(C)nc(-c4ccccc4Br)n3n2)cc(OC)c1OC
COc1cc(Nc2ncc3c(C)nc(-c4cccc(Br)c4)n3n2)cc(OC)c1OC
COc1cc(Nc2ncc3c(C)nc(-c4cccc(c4)C(F)(F)F)n3n2)cc(OC)c1OC
COc1cc(Nc2ncc3c(C)nc(-c4ccc(cc4)C(F)(F)F)n3n2)cc(OC)c1OC
COc1cc(Nc2ncc3c(C)nc(-c4cccc(c4)C(=O)c4ccccc4)n3n2)cc(OC)c1OC
COc1cc(Nc2ncc3c(C)nc(-c4cccc(Oc5ccccc5)c4)n3n2)cc(OC)c1OC
COc1cc(Nc2ncc3c(C)nc(-c4ccc(F)cc4)n3n2)cc(OC)c1OC
NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
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,)|
FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1 |r|
FC(F)(F)c1ccc(OC(CCNCc2ccccn2)c2ccccc2)cc1
COc1ccc(Br)cc1\C=c1/sc2nc(=O)c(C)nn2c1=O
NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-c1cnc2ccccn12
NC(=O)c1sc(cc1OCc1ccccc1Cl)-c1cnc2ccccn12
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccccc1CO |r|
CC(Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1cc(CO)ccc1Cl
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CO)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccc(CO)cn12)c1ccccc1Cl |r|
CNCc1ccc([C@@H](C)Oc2cc(sc2C(N)=O)-c2cnc3ccccn23)c(Cl)c1 |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN(C)C)cc1Cl |r|
CCNCc1ccc([C@@H](C)Oc2cc(sc2C(N)=O)-c2cnc3ccccn23)c(Cl)c1 |r|
CC(C)NCc1ccc([C@@H](C)Oc2cc(sc2C(N)=O)-c2cnc3ccccn23)c(Cl)c1 |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC2CC2)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC2CCCC2)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNCCO)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNCCCO)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)CO)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCC(F)CC2)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCN(C)CC2)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCC(O)CC2)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCC(O)C2)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCNC(=O)C2)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCS(=O)(=O)CC2)cc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1C(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1OC(F)F |r|
NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-c1cnn2ccccc12
Cn1cncc1-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C(N)=O
NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-c1cnc(N)s1
NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-c1cnc(Nc2ccccc2)s1
NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-c1cnc(NC(=O)c2ccccc2)s1
C[C@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccccc1Cl |r|
CC(Oc1cc(sc1C(N)=O)-c1cnc2cc(CO)ccn12)c1ccccc1Cl
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1C |r|
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1C1CC1 |r|
COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O |r,wU:2.1,22.22,wD:25.29,(-16.91,4.13,;-15.37,4.13,;-14.97,2.64,;-13.64,3.41,;-13.64,4.95,;-14.97,5.72,;-12.31,5.72,;-12.31,2.64,;-10.97,3.41,;-9.64,2.64,;-8.31,3.41,;-6.97,2.64,;-5.64,3.41,;-4.3,2.64,;-4.3,1.1,;-5.64,.33,;-6.97,1.1,;-8.31,.33,;-8.31,-1.21,;-3.22,.01,;-3.22,-1.53,;-2.13,1.1,;-.79,.33,;.54,1.1,;1.87,.33,;1.87,-1.21,;.54,-1.98,;-.79,-1.21,;3.21,-1.98,;3.21,-3.52,;4.54,-4.29,;5.88,-3.52,;7.21,-4.29,;8.54,-3.52,;8.94,-2.03,;9.71,-3.37,;5.88,-1.98,;4.54,-1.21,;-9.64,1.1,;-10.97,.33,;-12.31,1.1,;-13.64,.33,;-13.64,-1.21,;-14.97,1.1,;-16.31,.33,)|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C\c1csc(n1)N(C(C)=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C\c1cccn1-c1nccc(n1)-c1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C\c1ccccc1-c1ccc(F)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCO\N=C\c1c(F)cccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C\c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C\c1cc(Cl)ccc1OCc1ccccn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C/c1c(F)cccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C\c1cnc(s1)N(C)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCO\N=C\c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCO\N=C\c1csc(n1)N(C(C)=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCCc1c(F)cccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1-c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCO\N=C\c1cnc(s1)N(C)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCc1ccccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C1=C\C(=N\OC(=O)c2ccccc2C)C(C)=CC1=O |c:19,t:3|
NS(=O)(=O)c1cc(Cl)c(NC(=S)NC(=O)c2ccccc2)c(Cl)c1
NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)c(I)c1
NS(=O)(=O)c1cc(Br)c(NC(=S)NC(=O)c2ccccc2)c(Br)c1
NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1
CC(=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O
CCC(=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(O)=O |r|
NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)c(Br)c1
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
COc1cc(ccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
COC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4-c4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(=O)c4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Sc4ccccc4)nc3-c12
CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1C(C)=O
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(N)=O)nc3-c12
CC(=O)Nc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4S(N)(=O)=O)nc3-c12
CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
CCOC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Cn1nc(C(=O)NC2CC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)NC2CCCC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
CSc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CN1CCN(CC1)c1ccc(C(C)=O)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
CNc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4F)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4N)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Oc4ccccc4)nc3-c12
CC(C)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c(c1)C(C)=O
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Cc4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Nc4ccccc4)nc3-c12
NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(Nc3ccccc3)nc-21
COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)C(F)(F)F)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
CC(=O)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
COc1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
NC(=O)c1nn(C2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
CC(=O)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
NC(=O)c1[nH]nc-2c1CCc1cnc(Nc3ccccc3)nc-21
COc1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
CC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CC(C)n1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(F)(F)F)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4[N+]([O-])=O)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c12
NC(=O)c1nn(c-2c1CCc1cnc(Nc3ccccc3)nc-21)-c1ccccc1
CN1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
NC(=O)c1nn(CCN2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c12
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccccc1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccccc1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccncc1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccncc1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cccnc1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1cccnc1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccccn1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cccs1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc[nH]1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cn[nH]c1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1cnn(C)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(C)c1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(Cl)c1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccnc(Cl)c1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)c1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)n1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnc(N)nc1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCNCC1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCN(C)CC1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCN(C)CC1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCOCC1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCN(C)C)c1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCS(C)(=O)=O)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCO)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NC2CCN(C)CC2)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc(NC2CCN(C)CC2)nc1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NC2CCN(C)CC2)n1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCN2CCOCC2)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCN2CCN(C)CC2)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCCN(C)C)c1)c1ccccc1Cl |r|
CCN1CCN(CCCn2cc(cn2)-c2ccc3n(cnc3c2)-c2cc(O[C@H](C)c3ccccc3Cl)c(s2)C(N)=O)CC1 |r|
CC(=O)Nc1ccc(Nc2ncc(c(Nc3ccccc3C(=O)c3ccccc3)n2)[N+]([O-])=O)cc1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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|
OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O |r|
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2c1
CC(Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1
COc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12
COc1cc(sc1C(N)=O)-n1cnc2ccccc12
CC(Oc1cc(ccc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F
C[C@@H](Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F |r|
CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OCCCN(C)C)ccc12)c1ccccc1C(F)(F)F
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCN)c4-c3n2)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCOC5CCOCC5)c4-c3n2)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(N)=O)c1
CN(C)CCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12
CN1CCC(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1
CN(C)CCCN1CCC(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC(=O)[C@@H]5CCCN5)ccc4OC(F)(F)F)nc3-c12 |r|
CCN(CC)CCN(C)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCCN5)ccc4OC(F)(F)F)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12
CN1CCN(CCCNc2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(C)c5-c4n3)C(N)=O)c2)CC1
CN1CCCC1CCNc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
CN1CCN([C@@H](CO)C1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 |r|
CN1CCN([C@H](CO)C1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 |r|
CN1CCC(CC1)C(=O)Nc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1 |w:7.6|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC(CC3)N(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(N)=O)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NCCN(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Cn1nc(C(=O)NCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)NCCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NCCN(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
CSCC[C@H](NC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-c1ccc2-[#6](=O)-[#8]C3(c2c1)c1ccc(-[#8])cc1-[#8]-c1cc(-[#8])ccc31)-[#6@@H](-[#6])-[#8]P([#8])([#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)[C@@H](C)OP(O)(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O |r|
Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12
Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |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|
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
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
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
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
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
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
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
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
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
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|
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2-n2cnc(C#N)c12 |r,wU:2.1,26.30,wD:23.23,(65.63,.49,;65.63,2.03,;64.3,2.79,;62.97,2.04,;62.96,.5,;61.62,-.27,;64.29,-.28,;61.65,2.82,;60.32,2.04,;58.99,2.81,;57.66,2.02,;57.66,.48,;58.99,-.28,;59,-1.82,;60.34,-2.58,;57.67,-2.6,;56.33,-1.83,;56.33,-.29,;54.99,.48,;54.99,2.02,;57.67,-4.14,;59.01,-4.9,;56.34,-4.91,;56.34,-6.45,;55.01,-7.22,;55.01,-8.75,;56.34,-9.53,;57.68,-8.75,;57.68,-7.21,;56.34,-11.06,;55.01,-11.82,;55,-13.36,;56.33,-14.13,;56.32,-15.67,;54.99,-16.44,;53.45,-16.43,;54.21,-17.77,;57.67,-13.37,;57.68,-11.82,;58.98,4.34,;60.31,5.12,;61.65,4.34,;62.98,5.12,;63.31,6.61,;64.83,6.75,;65.44,5.36,;66.95,5.02,;68.45,4.69,;64.3,4.34,)|
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(CC)CC3)ncc2-n2cnc(C#N)c12 |r|
CCOC(=O)c1ncn-2c1[C@@H](CC)N(C1CCCC1)c1nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc-21 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C(N)=O)c12 |r|
CCNC(=O)c1ncn-2c1[C@@H](CC)N(C1CCCC1)c1nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc-21 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C(=O)N(C)O)c12 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C(O)=O)c12 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(CO)c12 |r|
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CN(C)C3)ncc2-n2cnc(C#N)c12 |r|
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
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
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
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|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
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
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1
Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1
Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1
Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N
CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccc(CCOCc2ccccc2)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1cccc(O)c1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccc(CCO)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1cccc(OCc2ccccc2)c1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Nc1nc(N)c2N=C(CCNc2n1)c1ccc(Cl)cc1 |c:6|
Nc1nc(N)c2N=C(CCNc2n1)c1cccc(Cl)c1 |c:6|
Nc1ncnc2NCCC(=Nc12)c1ccc(Cl)cc1 |c:9|
Nc1ncnc2NCCC(=Nc12)c1cccc(Cl)c1 |c:9|
Cc1ccc(cc1)C1=Nc2c(N)ncnc2NCC1 |t:8|
Nc1ncnc2NCCC(=Nc12)c1ccccc1 |c:9|
Nc1nc(N)c2N=C(CCNc2n1)c1ccccc1 |c:6|
Cc1cccc(c1)C1=Nc2c(N)ncnc2NCC1 |t:8|
Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)Nc1cccc(c1)N1CCOCC1
Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1
Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)NC1CC1
Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2c(c1)nnn(CC1CC1)c2=O)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2ccncc2c1)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2C)-c2nnc(C)o2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3ccncc3c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3c(N)noc3c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2)-c2csc(N)n2)CC1
NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:9.9|
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
COC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C(=O)N(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)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
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
O=C1Cc2cnc(Nc3ccccc3)nc2-c2ccccc2N1
Ic1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
COc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
Clc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
[O-][N+](=O)c1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
Cc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
Oc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
Brc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
CCOc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
Oc1cccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)c1
Clc1ccccc1Nc1ncc2CC(=O)Nc3ccccc3-c2n1
Brc1ccccc1Nc1ncc2CC(=O)Nc3ccccc3-c2n1
Oc1ccccc1Nc1ncc2CC(=O)Nc3ccccc3-c2n1
COc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1O
Oc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1Cl
Cc1cc(O)ccc1Nc1ncc2CC(=O)Nc3ccccc3-c2n1
COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(O)cc4)nc-23)c1
COc1ccc(Nc2ncc3CC(=O)Nc4cc(OC)ccc4-c3n2)cc1
CCOc1ccc(Nc2ncc3CC(=O)Nc4cc(OC)ccc4-c3n2)cc1
COc1ccc-2c(NC(=O)Cc3cnc(Nc4cccc(O)c4)nc-23)c1
COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(OC)c(O)c4)nc-23)c1
COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(O)c(Cl)c4)nc-23)c1
Oc1ccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)cc1
COc1ccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)cc1
CCOc1ccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)cc1
Oc1cccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)c1
Oc1ccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)cc1Cl
Oc1ccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)cc1
COc1ccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)cc1
CCOc1ccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)cc1
Oc1cccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)c1
Oc1ccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)cc1Cl
O=C1Cc2cnc3ccnn3c2-c2ccccc2N1
O=C1Cc2cnc3cc(nn3c2-c2ccccc2N1)-c1ccccc1
COc1ccc-2c(NC(=O)Cc3cnc4ccnn4c-23)c1
COc1ccc-2c(NC(=O)Cc3cnc4cc(nn4c-23)-c2ccccc2)c1
O=C1Cc2cnc3cc(nn3c2-c2cnccc2N1)-c1ccccc1
O=C1Cc2cnc3ccnn3c2-c2ncccc2N1
O=C1Cc2cnc3cc(nn3c2-c2ncccc2N1)-c1ccccc1
COc1ccc-2c(NC(=O)Cc3cnc4ncnn4c-23)c1
O=C1Cc2cnc3ncnn3c2-c2ncccc2N1
O=C1Cc2cc3c(nc2-c2ccccc2N1)[nH]c(=O)[nH]c3=O
Cn1c2nc-3c(CC(=O)Nc4ccccc-34)cc2c(=O)n(C)c1=O
COc1ccc-2c(NC(=O)Cc3cc4c(nc-23)[nH]c(=O)[nH]c4=O)c1
COc1ccc-2c(NC(=O)Cc3cc4c(nc-23)n(C)c(=O)n(C)c4=O)c1
O=C1Cc2cc3c(nc2-c2cnccc2N1)[nH]c(=O)[nH]c3=O
Cn1c2nc-3c(CC(=O)Nc4ccncc-34)cc2c(=O)n(C)c1=O
O=C1Cc2cc3c(nc2-c2ncccc2N1)[nH]c(=O)[nH]c3=O
Cn1c2nc-3c(CC(=O)Nc4cccnc-34)cc2c(=O)n(C)c1=O
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O
COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1 |w:14.15|
COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|
COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1 |w:14.15|
Cc1cc(NC(=O)Nc2ncc(CCNc3cc(Nc4nnc[nH]4)ncn3)s2)c(o1)C(F)(F)F
O=C1NCCc2[nH]c(cc12)-c1ccncc1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(c4-c3n2)C(c2ccccc2)(c2ccccc2)c2ccccc2)C(N)=O)c1
COc1ccc(Cn2nc(C(N)=O)c3CCc4cnc(Nc5cc(ccc5OC(F)(F)F)N5CCNCC5)nc4-c23)cc1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)[N+]4([O-])CC[N+](C)([O-])CC4)nc3-c12 |(40.62,-1.5,;41.66,-.36,;43.19,-.53,;43.83,.88,;45.36,.88,;46.14,-.45,;46.13,2.21,;42.69,1.92,;42.69,3.47,;41.34,4.25,;40,3.47,;38.67,4.24,;37.34,3.47,;37.34,1.92,;36,1.15,;36,-.38,;37.33,-1.15,;37.34,-2.68,;36,-3.46,;34.67,-2.69,;34.67,-1.15,;33.34,-.38,;32,-1.15,;30.67,-.38,;32,-2.69,;30.67,-1.9,;38.67,-3.45,;38.27,-1.95,;38.67,-4.98,;40,-5.75,;41.33,-4.98,;42.81,-5.38,;41.32,-6.52,;41.33,-3.44,;40,-2.67,;38.67,1.15,;40,1.92,;41.34,1.15,)|
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(n[nH]c4C(N)=O)-c3n2)c1
CCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12
CCN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
COCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12
CN1CCCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCC(CC4)N4CCCC4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)N4CCNCC4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCNC5)ccc4OC(F)(F)F)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CC[N+](C)([O-])CC4)nc3-c12
CN1CCC(CC1)Nc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)OC(C)(C)C)nc3-c12
CN1C(C)(C)CC(CC1(C)C)Nc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Cn1c(nc2ccccc12)-c1ccnc(Nc2ccccc2)n1
Cc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(Cl)cc2)n1
COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1O
Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCOc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)cc2)n1
Cn1c(nc2ccccc12)-c1ccnc(Nc2cccc(O)c2)n1
Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)c(Cl)c2)n1
Cn1c(nc2ccccc12)-c1ccc2c(n1)n(C)c(=O)n(C)c2=O
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)s1)c1ccccc1C(F)(F)F
CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1
Cc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)[nH]cn3)N5CCOCC5
C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(C)=O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6
C[C@@H](Nc1c(Nc2ccnc(Nc3cccnc3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccncc3)n2)c(=O)c1=O)C(C)(C)C |r|
CC(C)(C)Nc1c(Nc2nc(Nc3ccc-4c(Cc5ccccc-45)c3)ncc2F)c(=O)c1=O
C[C@@H](Nc1c(Nc2cccnc2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccccn3)n2)c(=O)c1=O)C(C)(C)C |r|
CC(Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O)c1ccccc1
FC(F)(F)Oc1ccc(Nc2c(Nc3ccnc(Nc4ccc(cc4)-c4ccccc4)n3)c(=O)c2=O)cc1
O=c1c(NCC2CC2)c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c1=O
C[C@@H](Nc1nccc(Nc2c(N[C@H](C)C(C)(C)C)c(=O)c2=O)n1)c1ccccc1 |r|
O=c1c(NCCN2CCOCC2)c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c1=O
COc1cc(Nc2ncc(C#N)c(Nc3c(N[C@H](C)C(C)(C)C)c(=O)c3=O)n2)cc(OC)c1OC |r|
CC(C)(C)CNc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O
CC(C)CC(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(C)cc3)n2)c(=O)c1=O)C(C)(C)C |r|
COc1ccc(Nc2nccc(Nc3c(N[C@H](C)C(C)(C)C)c(=O)c3=O)n2)c(OC)c1 |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(OC(F)(F)F)cc3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccccc3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(Br)cc3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3cccc(c3)-c3ccccc3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3cccc4ccccc34)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(Oc4ccccc4)cc3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc4OCCOc4c3)n2)c(=O)c1=O)C(C)(C)C |r|
COc1cc(Nc2nccc(Nc3c(N[C@H](C)C(C)(C)C)c(=O)c3=O)n2)cc(OC)c1OC |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(F)cc3)n2)c(=O)c1=O)C(C)(C)C |r|
CC(C)C(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc4OCOc4c3)n2)c(=O)c1=O)C(C)(C)C |r|
COc1ccc(Nc2nccc(Nc3c(N[C@H](C)C(C)(C)C)c(=O)c3=O)n2)cc1 |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc4ccccc4c3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@H](Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccnc(Nc3ccc-4c(Cc5ccccc-45)c3)n2)c(=O)c1=O)C(C)(C)C |r|
C[C@@H](Nc1c(Nc2ccccc2)c(=O)c1=O)C(C)(C)C |r|
CCC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O
COc1cc(Nc2ncc(c(Nc3ccccc3C(N)=O)n2)[N+]([O-])=O)cc(OC)c1OC
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCNC(=O)CCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCNC(=O)CCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCC(=O)NCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(=O)NCCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cn(CCCCCCCCc2ccccc2)c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cn(CCCCCCCCc2ccccc2)cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(N)=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O |r|
CCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)C(CC)N(c3ccn(C)n3)c2n1
CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC(C)C |r|
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2ccccc12 |r|
CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCC(C)C)ncc2N(C)C1=O
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)Nc3ccccc3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O |r|
CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC(C)C
CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC1CCCC1
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)C(CC)N(c3ccn(C)n3)c2n1
CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(N)=O
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC1CCCC1 |r|
CCCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|
CCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|
CCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(F)ccc12 |r|
CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O
CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCO)ncc2N(C)C1=O
CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)C(CC)N(c4ccn(C)n4)c3n2)cc1
CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCO)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCC(C)C)ncc2N(C)C1=O |r|
CCCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r|
CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O |r|
CCCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)C(CC)N(c3ccn(C)n3)c2n1
CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NCC(C)C
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NCC(C)C |r|
CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC |r|
CCCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)C(CC)N(c4ccn(C)n4)c3n2)cc1
CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(F)ccc12
O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO
CC(C)C[C@@H]1NC(=O)CN(CCC(=O)NCCc2c[nH]c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)CN(CCCCCC(=O)NCCc2cn(C(C)=O)c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cncn2CCCCCCCCc2ccccc2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)CN(CCCCCC(=O)NCCc2cn(C(C)=O)c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)CN(CCc2c[nH]c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(O)=O |r|
CC(=O)Nc1cccc(c1)-c1n[nH]c2cc(-c3cnn(C)c3)c(NC3CCCCC3)cc12
Cn1cc(cn1)-c1cc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2cc1NC1CCCCC1
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)cc1C
COc1cc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)ccc1C(=O)NC1CCN(C)CC1
COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)cc1
COc1c(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)ccc(C(=O)NC2CCN(C)CC2)c1F
COc1cc(cc(F)c1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC
CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(C[C@@](C(=O)N4C)(C=C)F)C5CCCC5
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@](F)(CN(C3CCCC3)c2n1)C=C)C(=O)NC1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@](F)(CN(C3CCCC3)c2n1)C=C)C(=O)NC1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](CC=C)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC=C)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
CC[C@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5
CC[C@H]1N(C2COC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r|
CC(C)N1c2nc(ncc2N(C)C(=O)C1(C)C)-n1ccnc1-c1ccc(F)cc1
CC[C@H]1N(c2ccnn2C)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r|
CC(C)N1c2nc(ncc2N(C)C(=O)C11CCC1)-n1ccnc1-c1ccc(F)cc1
CC[C@H]1N(C2CC(F)(F)C2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r|
CC[C@H]1N(c2cn[nH]c2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r|
CC[C@H]1N(c2cncnc2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r|
CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r|
CCC1(C)N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
CCC1N(c2ccc(cc2)C#N)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r|
CN1C(=O)C(CC(F)(F)F)N(CCC(F)(F)F)c2nc(ncc12)-n1ccnc1-c1ccc(F)cc1
CCC1N(c2ccn[nH]2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
CC[C@H]1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r|
CC[C@H]1N(c2cn[nH]c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r|
CCC1N(c2ccccc2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
CCC1N(c2ccc(F)cc2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
CCC1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1ccccn1
CCC1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r|
CC[C@H]1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r|
CC[C@H]1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1ccc(F)cc1F |r|
CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r|
CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r|
CC[C@H]1N([C@@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r|
CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r|
CCC1N(C2CCC(F)(F)C2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
CC[C@H]1N(C2CCOCC2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r|
CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r|
CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C
OC(=O)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1
COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
CN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cn1
COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1
O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccccc3)n[nH]c2c1
Oc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1
Cc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1
Clc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1
CCc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1
O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3cccnc3)n[nH]c2c1
O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CC(=O)Nc1ccc2\C(=C/c3ccc4cn[nH]c4c3)C(=O)Nc2c1
CC(=O)Nc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
CNC(=O)c1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
COc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
Clc1ccc2\C(=C/c3ccc4cn[nH]c4c3)C(=O)Nc2c1
Clc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
Fc1ccc2NC(=O)\C(=C/c3ccc4cn[nH]c4c3)c2c1
Fc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
O=C1Nc2ccccc2\C1=C/c1ccc2cn[nH]c2c1
O=C1Nc2ccccc2\C1=C\c1ccc2[nH]ncc2c1
O=C1Nc2ccccc2C1=Cc1ccc2nn[nH]c2c1 |w:10.12|
Oc1ccc(\C=C2/C(=O)Nc3ccc(Br)cc23)cc1O
Oc1ccccc1\C=C1/C(=O)Nc2ccccc12
Oc1cccc(\C=C2/C(=O)Nc3ccccc23)c1
Oc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
COc1cc(\C=C2/C(=O)Nc3ccc(Br)cc23)cc(Br)c1OC
COc1cc(\C=C2/C(=O)N(C)c3ccc(Br)cc23)cc(Cl)c1O
COc1cc(\C=C2/C(=O)Nc3ccc(Br)cc23)cc(Cl)c1O
Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O
Cc1c(O)c(O)c2oc(cc2c1C=O)-c1c(C)c(O)c(O)c(O)c1C=O
Cc1c2COC(=O)c2c(O)c(O)c1O
COCc1c(C)c(O)c(O)c(O)c1C=O
COC1OC(=O)c2c1c(C)c(O)c(O)c2O
Cc1c(O)c(O)c2O[C@H]3O[C@H](C(=O)c4c(O)c(O)c(O)c(C)c34)c2c1C=O |r|
CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1 |r,c:24|
COc1cc2nc(C)oc2c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,c:25|
CC(C)CC=Nc1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,w:5.5,c:26|
CCC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCc1ccccc1 |r|
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2NC1=O |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCCCC1 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCNCC1 |r|
CC[C@H]1N(C2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2NC1=O |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1 |r|
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
C[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
CC[C@H]1N(C2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC(C)C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC(C)C)N(C3CCOCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC(C)C)N(C(C)C)c2n1)C(=O)NC1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1=CCN(C)C=C1 |r,c:39,t:34|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCN(C)C |r|
COC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3n2)c(OC2CCCC2)c1 |r|
C[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C(C)C)c2n1)C(=O)NC1CCN(C)CC1 |r|
COc1ccccc1-c1ccnc(Nc2cccc(Cn3cnc4ccccc34)c2)n1
COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
CCOc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
COc1cccc(F)c1-c1ccnc(Nc2cccc(Cn3cnc4ccccc34)c2)n1
COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2noc(C)c2C)n1
COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CCNc1cc(ccn1)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1C(F)(F)F
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r|
C[C@@H](OP(O)(O)=O)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[n+](CCCCCNC1=O)cn2CCCCCCCCc1ccccc1)NC(C)=O |r|
C[C@@H](OP(O)(O)=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cncn1CCCCCCCCc1ccccc1)NC(C)=O)C(N)=O |r|
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
[H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|
COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
C[N+](C)(C)[C@H](Cc1cc(I)c(O)c(I)c1)C([O-])=O |r|
C[N+](C)(C)[C@H](CCOc1c(Cl)cc(Br)cc1Cl)C([O-])=O |r|
COc1c(I)cc(C[C@H](C([O-])=O)[N+](C)(C)C)cc1I |r|
C[N+](C)(C)[C@H](Cc1cc(Br)c(O)c(I)c1)C([O-])=O |r|
C[N+](C)(C)[C@H](CCOc1ccc(Br)cc1Br)C([O-])=O |r|
COc1c(Br)cc(C[C@H](C([O-])=O)[N+](C)(C)C)cc1I |r|
C[N+](C)(C)[C@H](CCOc1c(Br)cc(Br)cc1I)C([O-])=O |r|
C[N+](C)(C)[C@H](CCOc1c(Br)cc(Br)cc1Br)C([O-])=O |r|
COc1cc(Br)c(C[C@H](C([O-])=O)[N+](C)(C)C)c(Br)c1 |r|
COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
N[C@@H](CSC1c2c(sc(C(N)=O)[n+]2[O-])C(C=C1SC(F)(F)F)[N+]([O-])=O)C(O)=O |r,c:16|
N[C@@H](CSC1c2c(sc(C(N)=O)[n+]2[O-])C(C=C1C(F)(F)F)[N+]([O-])=O)C(O)=O |r,c:16|
Cc1ccc2n(c(CCN3C(=O)c4cccc5cccc(C3=O)c45)nc2c1)-c1ccncc1
Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
OCc1ccc(cc1)C(=O)NCCC(=O)N[C@@H](Cc1cnnn1CCCCCCCCc1ccccc1)C(=O)NCc1cnnn1CCP(O)(O)=O |r|
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Cl)c3)c2n1)C1CCN(C)CC1 |r|
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Br)c3)c2n1)C(=O)NC1CCN(C)CC1 |r|
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3)c2n1)C(=O)NC1CCN(C)CC1 |r|
CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(c3)C#N)c2n1)C1CCN(C)CC1 |r|
CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C3CCN(C)CC3)ncc2N(C)C1=O |r|
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Br)c3)c2n1)C1CCN(C)CC1 |r|
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3sccc3C)c2n1)C1CCN(C)CC1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCCC3)ncc2N(COC)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(C)=O)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NCCN(C)C)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCCC3)ncc2NC1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3O)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCOC)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(N)=O)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC(C)C)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CC3)ncc2N(C)C1=O |r|
CCCCNC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)c(OCCO)c1 |r|
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCOCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC)ncc2N(C)C1=O |r|
CCNC(=O)c1cc(OCCO)c(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1F |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NCCN3CCOCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NCCN(C)C)ncc2N(C)C1=O |r|
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCOCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3C)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CCCNC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)c(OCCO)c1 |r|
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCOCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NCCN3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3CCO)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NCCN3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCN(CC3)C(C)C)ncc2N(C)C1=O |r|
CCC1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCCC3)ncc2N(C)C1=O
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCCC3)ncc2N(CCO)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCc3ccccc3)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCOCC3)ncc2N(C)C1=O |r|
CCNC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)c(OCCO)c1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NCCN3CCOCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC(C)C)ncc2N(C)C1=O |r|
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
CCn1c2ccccc2c2cc(\C=N\NC(=O)c3ccccc3[N+]([O-])=O)ccc12
CCc1ccc(\C=N\NC(=O)C2=C(Cl)c3ccc(Cl)cc3C2)s1 |c:11|
Cc1ccccc1OCC(=O)N\N=C\c1ccc2OCCOc2c1
Clc1cc(Cl)cc(\C=N\NC(=O)CCn2c3ccccc3c3ccccc23)c1
CCn1c2ccccc2c2cc(\C=N\NC(=O)c3cccc(Cl)c3)ccc12
CCN(CC)c1ccc(NC(=O)\C=C\c2cccc3ccccc23)cc1
CCCc1oc2ccc(NS(=O)(=O)c3cccs3)cc2c1C(=O)OCC
Cc1ccc2nc(C)cc(SCC(=O)N\N=C\c3ccc(Cl)cc3)c2c1
Cc1ccc(cc1)C(\NC(=S)Nc1ccc(cc1)[N+]([O-])=O)=N\CS(=O)(=O)c1ccccc1
Brc1ccc(\C=N\NC(=O)c2n[nH]c3CCCCc23)cc1
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(O)=O |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
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
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CCCn1c2nnc(S)n2c2ccccc2c1=O
Sc1nnc2n(CC=C)c(=O)c3ccccc3n12
CCCCn1c2nnc(S)n2c2ccccc2c1=O
CCCCCn1c2nnc(S)n2c2ccccc2c1=O
CC(C)CCn1c2nnc(S)n2c2ccccc2c1=O
COCCCn1c2nnc(S)n2c2ccccc2c1=O
CCOCCCn1c2nnc(S)n2c2ccccc2c1=O
Cc1cccc(c1C)-n1c2nnc(S)n2c2ccccc2c1=O |(6.39,-3.98,;4.86,-4.03,;4.13,-5.38,;2.59,-5.43,;1.78,-4.12,;2.51,-2.77,;4.04,-2.72,;4.77,-1.36,;1.69,-1.46,;2.42,-.1,;3.92,.27,;4.03,1.8,;2.6,2.39,;2.24,3.88,;1.61,1.21,;.07,1.16,;-.74,2.47,;-2.28,2.42,;-3.01,1.07,;-2.2,-.24,;-.66,-.2,;.15,-1.5,;-.57,-2.86,)|
CCCn1c2nn(CN(CC)CC3CC3)c(=S)n2c2ccccc2c1=O
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1)N1CCC(CC1)N1CCN(C)CC1
Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccccc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccc(F)cc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccc(Cl)cc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccc(Br)cc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccc(cc2)C(C)(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CCOc1ccc(CN2[C@H](CC)c3nnc(C)n3-c3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc23)cc1 |r|
CC[C@H]1N(Cc2cccc(c2)C(F)(F)F)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2cccc(Cl)c2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2cccc(Br)c2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccccn2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccco2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccoc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2cccs2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccsc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccc(F)cc2)c2nc(Nc3ccccc3OC)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2cccc(c2)C(F)(F)F)c2nc(Nc3ccccc3OC)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NN3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NN3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccccc2)c2nc(Nc3ccc(cc3OC)C(=O)NN3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(Cc2ccc(F)cc2)c2nc(Nc3ccc(cc3OC)C(=O)NN3CCN(C)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(Cc2ccc(F)cc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(Cc2ccc(Cl)cc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(Cc2ccc(cc2)C(C)(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CCOc1ccc(CN2[C@H](CC)c3nncn3-c3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc23)cc1 |r|
CC[C@H]1N(Cc2ccc(OC)c(OC)c2OC)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(Cc2cccc(c2)C(F)(F)F)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(Cc2cccc(Br)c2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(Cc2ccco2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(Cc2ccoc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(Cc2cccs2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(Cc2ccsc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnnc12 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccccc3OC)ncc2-n2cnnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NN3CCN(C)CC3)ncc2-n2cnnc12 |r|
CCOc1ccc(CN2[C@H](CC)c3nncn3-c3cnc(Nc4ccc(cc4OC)C(=O)NN4CCN(C)CC4)nc23)cc1 |r|
NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(N)=O |r|
O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2cn(nc2-c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1
O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2cn(-[#6]-c3ccccc3)nc2-c2ccccc2)-[#6](=O)-[#7]-1
[#6]-[#7]-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c(n1)-c1ccccc1
O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6]-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)nc2-c2ccccc2)-[#6](=O)-[#7]-1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1[N+]([O-])=O
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1[N+]([O-])=O
COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1[N+]([O-])=O
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1[N+]([O-])=O
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)ncc1[N+]([O-])=O
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1[N+]([O-])=O
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2)N2CCC(O)CC2)ncc1[N+]([O-])=O
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1[N+]([O-])=O
COC(=O)c1sccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)ncc1[N+]([O-])=O
COC(=O)c1ccsc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1[N+]([O-])=O
COC(=O)c1ccsc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1[N+]([O-])=O
COC(=O)c1ccsc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1[N+]([O-])=O
COC(=O)c1ccsc1Nc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1[N+]([O-])=O
COC(=O)c1ccsc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1[N+]([O-])=O
COC(=O)c1scc(C)c1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1[N+]([O-])=O
COC(=O)c1scc(C)c1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1[N+]([O-])=O
COC(=O)c1scc(C)c1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1[N+]([O-])=O
COC(=O)c1ccccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1[N+]([O-])=O
COC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1[N+]([O-])=O
COC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1[N+]([O-])=O
COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1C(F)(F)F
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1C(F)(F)F
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1C(F)(F)F
COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1C#N
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1C#N
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1C#N
COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1F
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1F
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1F
COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1Br
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1Br
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1Br
COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1C
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1C
COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1C
CC(C)(O)c1cccc(n1)-n1cc(F)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3ccn(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CC(C)(O)c1cccc(n1)-n1cc(F)c2cnc(Nc3ccc(cc3)N3CCNC4(CC4)C3)nc12
CC(C)(O)c1cccc(n1)-n1cc(F)c2cnc(Nc3ccc(NC(=O)C4CCOCC4)cc3)nc12
CN1CCN(CC1)c1ccc(Nc2ncc3c(F)cn(-c4cccc(N=S(C)(C)=O)n4)c3n2)cc1
[H][C@@]12CN(c3ccc(Nc4ncc5c(F)cn(-c6cccc(n6)C(C)(C)O)c5n4)cc3)[C@@]([H])(CN1)C2 |r|
[H][C@]12CN(c3ccc(Nc4ncc5c(F)cn(-c6cccc(n6)C(C)(C)O)c5n4)cc3)[C@]([H])(CN1)C2 |r|
CCN1CCC(CC1)Oc1ccc(Nc2ncc3c(F)cn(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CC(C)(O)c1cccc(n1)-n1cc(F)c2cnc(Nc3ccc(cc3)C(=O)NC3CCOCC3)nc12
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3c(F)cn(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3c(F)cn(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(F)cn(-c4cccc(n4)C4(F)COC4)c3n2)cc1
CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
CCCCCCc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CCCCCCCNc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CCCCCCCOc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CCCCCCCSc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CCCCCCCNc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCOc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCSc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(=O)OC
CCCCCCCCNc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCCOc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCCSc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(cc1C(O)=O)C(F)(F)F
CCCCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCCCc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(O)=O
CCCCCCCCCc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(=O)OC
CCCCCCCCCCCCc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(O)=O
CCCCCCCCNc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(O)=O
CCCCCCCCOc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(O)=O
CCCCCCCCSc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(O)=O
Cc1ccc(C(O)=O)c(NC(=O)c2ccc(N)cc2)c1
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1)[C@@H](C)OP(O)(O)=O |r|
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(c1)C(F)(F)F)[C@@H](C)OP(O)(O)=O |r|
[H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
[H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cccc(c1)C(F)(F)F)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
[H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cccc(OCCN(C)C)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
[H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cccc(OCC(C)C)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
[H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cc(OCCN(C)C)cc(OCC(C)C)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
[H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cc(OCC(C)C)cc(OCC(C)C)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
[H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cc(OCCCC(O)=O)cc(OCCN(C)C)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
[H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cc(OCCN(C)C)cc(c1)-c1ccc(cc1)C(O)=O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
[H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cc(OCCOCCOCCOCCOC)cc(OCCOCCOCCOCCOC)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
COc1cc2ncn(-c3cc(c(s3)C(N)=O)-c3cccc(c3)C(F)(F)F)c2cc1OC
C[C@H](CC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O)c1cncs1)NC(=O)c1ccc(CO)cc1 |r|
C[C@@]12CN(Cc3cccc(c3)C#N)C[C@@](C)(C1)c1c(ccc(=O)n1C2)-c1ccc2ccccc2c1 |r|
CCOC(=O)c1oc2ccccc2c1CBr
OCc1ccc(cc1)C(=O)NCCC(=O)N[C@@H](Cc1cnnn1CCc1ccccc1)C(=O)NCc1cn(CCP(O)(O)=O)nn1 |r|
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
COc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OC
Oc1cc2O[C@@H](CC(=O)c2c(O)c1O)c1ccccc1 |r|
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2
COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1OC
Cc1onc(c1\C=C1/C(=O)Nc2ccccc12)-c1ccccc1
Cc1ccc(NC(=S)NCCNc2nccc(n2)C(F)(F)F)c(C)c1
C[C@H](OP(O)(O)=O)[C@H](NC(=O)c1ccc2n(CCc3ccccc3)c(CCCCc3ccccc3)nc2c1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(C)=O)O\N=C\CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(C)=O)OCCCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCc1cn(Cc2ccc(Oc3ccccc3)cc2F)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cn(CCCCCCCCc2ccccc2)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1C[C@H](CCCCCCCCc2ccccc2)C(=O)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|
[H][C@@]12CN(Cc3cccc(c3)C#N)C[C@@]([H])(C1)c1c(ccc(=O)n1C2)-c1ccc2ccccc2c1 |r|
CC1=C\C(=N\OC(=O)c2ccccc2C)C(C)=CC1=O |c:17,t:1|
CC1=C\C(=N\OC(=O)c2ccc(CNC(=O)CCc3cn(CCCCCCOCCOCCNC(=O)CC45CC6CC(CC(C6)C4)C5)nn3)cc2C)C(C)=CC1=O |c:58,t:1,TLB:44:39:46:43.45.42,44:43:46:40.39.38,36:37:40.39.44:42,THB:38:39:45.37.46:42,38:37:40.39.44:42|
C[C@H](CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCOCCOCCCCCCn1cc(CCC(=O)NCc2ccc(C(=O)O\N=C3\C=C(C)C(=O)C=C3C)c(C)c2)nn1 |r,c:55,t:50,TLB:13:4:11:8.7.9,THB:13:8:11:12.4.5,9:8:11.10.12:5,9:10:8.7.13:5|
CCCCCCCCCC1=CO[C@]2(C[C@H](C(O)=O)[C@](CC(O)=O)(O2)C(=O)OCCCC)C1=O |r,t:9|
CCCCCCCCCC1=CO[C@]2(C[C@H](C(O)=O)[C@](CC(O)=O)(O2)C(O)=O)C1=O |r,t:9|
COc1c2OCOc2cc2CC[N+](C)(C)C(CC(=O)c3ccccn3)c12
CCCCc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CCCCCc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CCCCCCCCCCCCc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(OC)cc1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1ccccc1C(=O)OCC
CCCCCCCCc1ccc(cc1)C(=O)Nc1ccccc1B(O)O
CCCCCCCCc1ccc(cc1)C(=O)Nc1ccccc1[N+]([O-])=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(OP(O)(O)=O)c1
CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(F)c1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1cc(F)cc(F)c1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(c1C(O)=O)[N+]([O-])=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(c1C(O)=O)C(F)(F)F
CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(O)c1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(OC)c1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1c(O)cccc1C(O)=O
CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(Cl)c1C(O)=O
CCCCCCCCc1ccc(CNc2ccccc2C(O)=O)cc1
CCCCCCCCc1ccc(CNc2cccc(OP(O)(O)=O)c2)cc1
CCCCCCCCc1ccc(CNc2ccc(C)cc2C(O)=O)cc1
CCCCCCCCc1ccc(CNc2cc(C)ccc2C(O)=O)cc1
CCCCCCCCc1ccc(CCNc2ccccc2C(O)=O)cc1
CCCCCCCCc1ccc(CNc2cccc(F)c2C(O)=O)cc1
CCCCCCCCc1ccc(CNc2cccc(CC)c2)cc1
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CCCCCOc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CCCCCCOc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CCCCCCCOc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CCCCCCCCOc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CCCCCCCCCOc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CCCCCCCCCCOc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CCCCCCCCCCCOc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CCCCNC(=O)COc4cccc5C(=O)C(C6CCC(=O)NC6=O)C(=O)c45)CC3)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CC3)C(=O)COc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CC3)C(=O)CCCOc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CC3)C(=O)CCCCOc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CC3)C(=O)CCCCCOc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CC3)C(=O)CCCCCCOc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CC3)C(=O)CNc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CC3)C(=O)CCCCNc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CC3)C(=O)CCCCCNc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)ncc2-n2c(C)nnc12 |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(CC3)C(=O)CCCCCCC(=O)Nc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)ncc2-n2c(C)nnc12 |r|
COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
COc1ccc2c(c1)n(Cc1cccc(Cl)c1)c1c(C)[n+](CCCc3ccccc3)ccc21
Cc1[n+](Cc2ccccc2)ccc2c1n(CCCc1ccccc1)c1cc(OCc3ccc(F)cc3)ccc21
CCCCn1c2cc(OCc3ccc(F)cc3)ccc2c2cc[n+](Cc3ccccc3)c(C)c12
Cc1[n+](Cc2ccccc2)ccc2c1n(Cc1ccccc1)c1cc(OCc3ccccc3)ccc21
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O |r,wU:25.29,22.22,2.1,(14.1,-1.92,;12.77,-2.69,;11.43,-1.92,;10.11,-2.69,;10.11,-4.23,;11.44,-5,;8.77,-5,;8.78,-1.92,;7.45,-2.7,;6.11,-1.93,;4.78,-2.7,;3.44,-1.93,;3.44,-.39,;2.11,.38,;.78,-.39,;.78,-1.93,;2.12,-2.69,;2.12,-4.23,;3.45,-5,;-.55,.38,;-.55,1.92,;-1.89,-.39,;-3.22,.38,;-4.55,-.39,;-5.89,.38,;-5.89,1.92,;-4.55,2.69,;-3.22,1.92,;-7.22,2.69,;-7.22,4.23,;-8.56,5,;-9.89,4.23,;-11.22,5,;-12.56,4.23,;-14.1,4.23,;-13.33,2.9,;-9.89,2.69,;-8.56,1.92,;6.11,-.39,;7.44,.38,;8.78,-.39,;10.1,.38,;10.1,1.92,;11.43,-.38,;12.76,.39,)|
CS(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:14|
COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CN(C)CC4(C)C)c3)ncc2c1=O |(7.16,5.15,;6.4,3.82,;7.17,2.49,;8.71,2.49,;9.48,1.17,;8.72,-.17,;7.18,-.17,;6.41,1.15,;4.88,1.15,;3.97,-.1,;4.45,-1.56,;3.41,-2.7,;3.89,-4.16,;5.39,-4.48,;6.42,-3.34,;5.95,-1.87,;7.92,-3.67,;8.95,-2.53,;8.31,-5.15,;9.4,-4.06,;2.5,.37,;1.17,-.39,;-.16,.37,;-1.48,-.4,;-2.81,.36,;-2.81,1.91,;-4.15,2.68,;-5.48,1.91,;-5.48,.36,;-6.82,-.41,;-8.16,.38,;-9.48,-.39,;-8.16,1.92,;-6.81,2.69,;-7.89,3.77,;-6.04,4.01,;-4.15,-.42,;-.16,1.91,;1.17,2.69,;2.5,1.92,;3.97,2.4,;4.44,3.86,)|
COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CNCC4(C)C)c3)ncc2c1=O |(6.5,5.14,;5.74,3.81,;6.51,2.49,;8.04,2.49,;8.82,1.17,;8.05,-.17,;6.51,-.17,;5.74,1.15,;4.21,1.15,;3.31,-.1,;3.78,-1.56,;2.75,-2.7,;3.22,-4.16,;4.72,-4.48,;5.75,-3.34,;5.29,-1.87,;7.25,-3.66,;8.28,-2.53,;7.65,-5.14,;8.73,-4.06,;1.84,.37,;.51,-.39,;-.82,.37,;-2.15,-.4,;-3.48,.36,;-3.48,1.91,;-4.81,2.68,;-6.14,1.91,;-6.14,.36,;-7.48,-.41,;-8.82,.38,;-8.82,1.92,;-7.47,2.68,;-8.55,3.77,;-6.7,4.01,;-4.81,-.42,;-.82,1.91,;.5,2.69,;1.84,1.92,;3.3,2.4,;3.77,3.85,)|
COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CCN(C)Cc4c3)ncc2c1=O |(7.16,5.15,;6.4,3.82,;7.17,2.49,;8.7,2.49,;9.48,1.17,;8.72,-.16,;7.18,-.16,;6.41,1.16,;4.88,1.16,;3.97,-.1,;4.45,-1.55,;3.41,-2.7,;3.89,-4.15,;5.39,-4.48,;6.42,-3.33,;5.95,-1.87,;7.92,-3.66,;8.95,-2.52,;8.32,-5.15,;9.41,-4.06,;2.5,.38,;1.17,-.38,;-.16,.38,;-1.48,-.39,;-2.81,.37,;-2.81,1.91,;-4.14,2.68,;-5.47,1.91,;-6.8,2.69,;-8.15,1.93,;-8.15,.38,;-9.48,-.38,;-6.81,-.4,;-5.47,.37,;-4.14,-.41,;-.16,1.92,;1.17,2.7,;2.5,1.92,;3.97,2.4,;4.44,3.86,)|
COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O |(7.84,5.14,;7.08,3.82,;7.84,2.49,;9.38,2.49,;10.15,1.17,;9.39,-.17,;7.85,-.17,;7.08,1.15,;5.55,1.15,;4.64,-.09,;5.11,-1.55,;4.08,-2.69,;4.55,-4.15,;6.05,-4.48,;7.08,-3.34,;6.62,-1.87,;8.58,-3.66,;9.61,-2.53,;8.98,-5.14,;10.06,-4.06,;3.17,.38,;1.84,-.38,;.51,.38,;-.81,-.38,;-2.14,.38,;-3.47,-.4,;-4.81,.37,;-4.81,1.9,;-3.48,2.68,;-2.14,1.92,;-6.14,2.66,;-7.46,1.88,;-8.82,2.64,;-8.82,4.18,;-10.15,4.94,;-7.49,4.95,;-6.14,4.19,;.51,1.93,;1.84,2.7,;3.17,1.93,;4.64,2.4,;5.11,3.86,)|
CC(C)(O)c1cccc(n1)-n1n(-c2ccccc2F)c(=O)c2cnc(Nc3ccc4c(NCCC4(C)C)c3)nc12 |(8.28,-1.89,;7.25,-3.02,;7.65,-4.5,;8.73,-3.42,;5.75,-2.7,;4.72,-3.84,;3.22,-3.52,;2.75,-2.06,;3.78,-.92,;5.29,-1.23,;3.31,.54,;4.21,1.79,;5.74,1.79,;6.51,.47,;8.05,.47,;8.82,1.81,;8.04,3.13,;6.51,3.13,;5.74,4.45,;3.3,3.04,;3.77,4.49,;1.84,2.56,;.5,3.33,;-.82,2.55,;-.82,1.01,;-2.15,.24,;-3.48,1,;-3.48,2.55,;-4.81,3.31,;-6.14,2.55,;-6.14,1,;-7.48,.23,;-8.82,1.02,;-8.82,2.56,;-7.47,3.32,;-6.47,4.49,;-8.44,4.5,;-4.81,.22,;.51,.25,;1.84,1.01,)|
CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC2)c3=O)cc1
CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)cc2C1 |c:33|
CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:37|
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:39|
CN1CCc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)ccc2C1 |c:32|
CC(C)(O)c1cccc(n1)-n1n(C2CCCC=C2)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CCO)CC3)nc12 |c:17|
CN1Cc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)cc2C1 |c:32|
[H][C@@]1(CCCC=C1)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |r,c:5|
CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(C)n3)n(CC=C)c4=O)cc2C1
CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(F)(F)F)n(CC=C)c4=O)cc2C1
CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C(C)(C)C1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC4(C)C)c3)nc12
CN1CCC(C)(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
C\C=C\n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2c1=O
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(OC(F)(F)F)c2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(c2)C#N)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(Cl)c2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(C)c2)c3=O)cc1
CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2c6ccccc6OC)O
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2F)c3=O)cc1 |(-10.15,5.03,;-8.82,4.28,;-7.5,5.05,;-6.14,4.29,;-6.14,2.75,;-7.48,1.98,;-8.82,2.74,;-4.81,1.99,;-4.81,.46,;-3.47,-.3,;-2.14,.47,;-.81,-.29,;.51,.48,;.51,2.02,;1.84,2.8,;3.17,2.02,;3.17,.47,;1.84,-.29,;4.64,-0,;5.11,-1.46,;4.08,-2.6,;4.55,-4.06,;6.05,-4.39,;7.08,-3.25,;6.62,-1.78,;8.58,-3.57,;9.61,-2.44,;8.98,-5.05,;10.11,-3.57,;5.55,1.25,;7.08,1.25,;7.84,-.08,;9.38,-.08,;10.15,1.26,;9.38,2.58,;7.84,2.58,;7.08,3.91,;4.64,2.49,;5.11,3.95,;-2.14,2.01,;-3.48,2.77,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2C)c3=O)cc1 |(-10.16,5.08,;-8.83,4.31,;-8.83,2.77,;-7.5,2,;-6.16,2.77,;-6.16,4.31,;-7.5,5.08,;-4.83,2,;-3.5,2.77,;-2.16,2,;-2.16,.46,;-.83,-.31,;.51,.46,;.51,2,;1.84,2.77,;3.17,2,;3.17,.46,;1.84,-.31,;4.64,-.02,;5.11,-1.48,;4.08,-2.63,;4.56,-4.09,;6.07,-4.41,;7.1,-3.27,;6.62,-1.8,;8.6,-3.59,;9.63,-2.44,;9,-5.08,;10.09,-3.99,;5.54,1.23,;7.08,1.23,;7.85,-.11,;9.39,-.11,;10.16,1.23,;9.39,2.56,;7.85,2.56,;7.08,3.89,;4.64,2.47,;5.11,3.94,;-3.5,-.31,;-4.83,.46,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccn2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:37|
[H][C@]1(CCCC=C1)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |r,c:5|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCC=C2)c3=O)cc1 |c:36|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n([C@H]2CCC=C2)c3=O)cc1 |r,c:36|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n([C@@H]2CCC=C2)c3=O)cc1 |r,c:36|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCCC2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC2CCC2)c3=O)cc1
COCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n([nH]c3=O)-c2cccc(n2)C(C)(C)O)cc1
CN(C)C1CCN(CC1)c1c(C)cc(Nc2ncc3C(=O)N(C4=NCCN4c3n2)c2c(Cl)cccc2Cl)cc1F |t:23|
CN1Cc2ccc(Nc3ncc4c(n3)n(C)cc(-c3c(Cl)cccc3Cl)c4=O)cc2C1 |(-9.28,-.41,;-7.75,-.41,;-6.83,.85,;-5.36,.38,;-4.03,1.15,;-2.7,.38,;-2.7,-1.16,;-1.36,-1.93,;-.04,-1.15,;-.04,.39,;1.29,1.17,;2.62,.39,;2.62,-1.15,;1.29,-1.92,;3.96,-1.93,;3.96,-3.46,;5.3,-1.15,;5.3,.39,;6.63,1.16,;6.63,2.69,;5.3,3.46,;7.95,3.45,;9.28,2.69,;9.28,1.16,;7.96,.39,;7.96,-1.14,;3.96,1.16,;3.96,2.7,;-4.03,-1.94,;-5.36,-1.16,;-6.87,-1.63,)|
CC1(C)CNCc2cc(Nc3ncc4c(ccn(-c5c(Cl)cccc5Cl)c4=O)n3)ccc12 |(-8.4,1.48,;-7.31,.4,;-6.92,1.88,;-8.65,-.37,;-8.65,-1.92,;-7.31,-2.69,;-5.97,-1.92,;-4.65,-2.7,;-3.31,-1.92,;-1.98,-2.68,;-.66,-1.91,;-.66,-.37,;.67,.41,;2,-.36,;2,-1.91,;3.34,-2.68,;4.67,-1.91,;4.67,-.36,;6,.4,;6,1.93,;4.67,2.7,;7.32,2.69,;8.65,1.93,;8.65,.4,;7.33,-.37,;7.33,-1.9,;3.34,.41,;3.34,1.94,;.67,-2.67,;-3.31,-.37,;-4.65,.39,;-5.97,-.37,)|
CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(6.01,-3.86,;4.68,-3.09,;4.68,-1.55,;3.34,-.77,;2,-1.54,;.66,-.77,;-.67,-1.55,;-2,-.78,;-2,.77,;-3.34,1.54,;-4.68,.77,;-4.68,-.78,;-3.34,-1.57,;-6.02,1.55,;-7.36,.78,;-8.69,1.55,;-8.69,3.09,;-10.02,3.86,;-7.36,3.86,;-6.02,3.09,;.66,.77,;2,1.56,;3.34,.78,;4.68,1.55,;6.02,.78,;7.36,1.55,;7.36,3.09,;6.02,3.86,;8.69,3.85,;10.02,3.08,;10.02,1.55,;8.7,.77,;8.7,-.76,;6.02,-.77,;7.36,-1.54,)|
CN1CCc2ccc(Nc3cc4n(-c5cc(ccn5)C(C)(C)O)n(CC=C)c(=O)c4cn3)cc2C1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)c2n(C)ccc12
CCn1c(=O)\c(=C\Nc2cccc(CCN3CCCC3)c2)s\c1=C(/C#N)C(=O)NC(F)(F)F
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCOCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCOCCOCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCCCC(=O)NCc4ccc(CNc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)cc4)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCCCC(=O)NCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCCCC(=O)NCCOc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC(=O)NCCCCC(=O)NCc4ccc(COc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)cc4)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CCC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc12
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CN(C5CCN(C)CC5)C(=O)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CN(C(C)C)C(=O)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CN(C5CCCC5)C(=O)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc4C(=O)N(Cc4c3)C3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN(CC)CC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCC[C@H]3CO)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCC(O)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCC(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCCC(C)C3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCOCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCSCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CC)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CC3)C(C)C)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3C[C@H](C)N[C@H](C)C3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CC3)C3CCCC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CC3)C(C)=O)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CCO)CC3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CC3)S(C)(=O)=O)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN(CC)CC)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCC[C@H]5CO)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCCCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCC(O)CC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCOCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCSCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCS(=O)(=O)CC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(C)CC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5C[C@H](C)N[C@H](C)C5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(CC5)C(C)=O)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(CCO)CC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(CC5)S(C)(=O)=O)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CNC5CC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CNC5CCCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(CC2CCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CC3)C(C)=O)ncc2N(C)C1=O |r|
CC[C@H]1N(Cc2cc(C)cs2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CC3)C(C)=O)ncc2N(C)C1=O |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CC3)C(C)=O)ncc2N(C)C1=O |r|
CC[C@H]1N(Cc2cccs2)c2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN3CCN(CC3)C(C)=O)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(CC5)C(C)=O)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(CC5)C(C)=O)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(Cc2cccs2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(CC5)C(C)=O)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(CC2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCOCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCOCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(CC2CCCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCOCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(Cc2cccs2)c2nc(Nc3cc4CCN(C(=O)CN5CCOCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCOCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCOCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(Cc2ccccc2)c2nc(Nc3cc4CCN(C(=O)CN5CCOCC5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)S(=O)(=O)CC(=O)N3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC([O-])=O)c2)c(OC)c1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CNC4CCN(C)CC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CNC4CC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CNC4CCC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CNC4CCCC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CNCC4CC4)o3)ncc2N(C)C1=O |r|
CCC(CC)NCc1nnc(o1)-c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)c(OC)c1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN(C)C)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN(C)CCN(C)C)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCCC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCCCC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCC[C@H]4CO)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCC(O)CC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCC(F)(F)CC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCOCC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCNCC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCCNCC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4C[C@H](C)N[C@H](C)C4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCN(C)CC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCN(CC)CC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCN(CC5CC5)CC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCN(CC4)C4CCCC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nnc(CN4CCN(CCO)CC4)o3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CNC4CCN(C)CC4)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN(C)C)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN(C)CCN(C)C)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCC[C@H]4CO)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCC(O)CC4)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCOCC4)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCNCC4)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCCNCC4)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4C[C@H](C)N[C@H](C)C4)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCN(C)CC4)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCN(CC)CC4)n3)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCN(CCO)CC4)n3)ncc2N(C)C1=O |r|
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1 |c:11|
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O
C[C@@H](OP(=O)(O)O)[C@@H]1NC(=O)[C@H](Cc2cncn2CCCCCCCCc2ccccc2)NC(=O)[C@@H](NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCC(=O)NCCCC[C@@H](C(N)=O)NC1=O
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)CCC(=O)NO)c2)c(OC)c1
COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)NO)c2)c(OC)c1
CC1=C/C(=NOC(=O)c2ccc(CNC(=O)CCc3cn(CCCCCCOCCOCCNC(=O)CC4C5CC6CC(C5)CC4C6)nn3)cc2C)C(C)=CC1=O
CC1=C/C(=NOC(=O)c2ccc(CNC(=O)CCc3cn(CCCCCCOCCOCCNC(=O)[C@H](C)CCC4C5CC6CC(C5)CC4C6)nn3)cc2C)C(C)=CC1=O
CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccc4)ccc(c23)C1=O
CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(F)cc4)ccc(c23)C1=O
COc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN(C)C)C3=O)cc1
CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(C(F)(F)F)cc4)ccc(c23)C1=O
Cc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN(C)C)C3=O)cc1
CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccc4F)ccc(c23)C1=O
CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4cccc(F)c4)ccc(c23)C1=O
O=C1c2cccc3c(S(=O)(=O)NCc4ccccc4)ccc(c23)C(=O)N1CCN1CCCC1
O=C1c2cccc3c(S(=O)(=O)NCc4ccc(F)cc4)ccc(c23)C(=O)N1CCN1CCCC1
COc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN2CCCC2)C3=O)cc1
O=C1c2cccc3c(S(=O)(=O)NCc4ccc(C(F)(F)F)cc4)ccc(c23)C(=O)N1CCN1CCCC1
Cc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN2CCCC2)C3=O)cc1
O=C1c2cccc3c(S(=O)(=O)NCc4ccccc4)ccc(c23)C(=O)N1CCN1CCCCC1
O=C1c2cccc3c(S(=O)(=O)NCc4ccc(F)cc4)ccc(c23)C(=O)N1CCN1CCCCC1
COc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN2CCCCC2)C3=O)cc1
O=C1c2cccc3c(S(=O)(=O)NCc4ccc(C(F)(F)F)cc4)ccc(c23)C(=O)N1CCN1CCCCC1
Cc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN2CCCCC2)C3=O)cc1
O=C1c2cccc3c(Sc4ccc([N+](=O)[O-])cc4)ccc(c23)C(=O)N1CCN1CCCC1
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
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
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
O=C1c2ccccc2-c2n[nH]c3cccc1c23
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC