2768 SMILES Strings for Cyclin-dependent kinase 2

Compound Name
SMILES String
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
OCCCC1CC[NH+](CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:23:24:27.28:30,(.54,6.93,;1.87,7.7,;3.2,6.93,;4.54,7.7,;5.87,6.93,;7.2,7.7,;8.54,6.93,;8.54,5.39,;7.2,4.62,;5.87,5.39,;9.87,4.62,;9.87,3.08,;11.21,2.31,;12.54,3.08,;13.87,2.31,;15.21,3.08,;15.21,4.62,;16.54,5.39,;17.87,4.62,;19.21,5.39,;20.54,4.62,;20.54,3.08,;21.88,2.31,;19.21,2.31,;19.21,.77,;17.67,.77,;18.44,-.56,;18.04,-2.05,;19.58,-2.05,;19.98,-.56,;20.32,.32,;17.87,3.08,;16.54,2.31,;12.54,4.62,;11.21,5.39,)|
COc1ccc(OC)c2c1[nH]c1ccccc1c2=S
O=C(Nc1cc(n[nH]1)C1CCC[NH2+]1)Nc1cccc2C(=O)N3CCCC3c12
O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
Cc1nc(C)c(s1)-c1ccnc(N)n1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
O=N(=O)c1cccc(Nc2nccc(n2)-c2cccc(Cn3cncn3)c2)c1
CC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c(=O)c12 |(10.12,4.57,;8.61,4.25,;7.58,5.4,;8.13,2.79,;9.04,1.54,;8.13,.29,;8.61,-1.17,;10.1,-1.57,;11.19,-.48,;10.5,-3.06,;9.41,-4.15,;10.18,-5.48,;7.92,-3.75,;7.52,-2.26,;6.03,-1.86,;6.67,.77,;5.33,,;4,.77,;2.67,,;2.67,-1.54,;1.33,-2.31,;1.33,-3.85,;2.67,-4.62,;2.67,-6.16,;4,-6.93,;4,-8.47,;5.33,-7.7,;5.33,-6.16,;6.67,-6.93,;5.33,-4.62,;4,-3.85,;4,-2.31,;4,2.31,;5.33,3.08,;5.33,4.62,;6.67,2.31,)|
CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
CNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
CCNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC
Cc1c(sc(=O)n1C)-c1ccnc(Nc2cccc(c2)C#N)n1
Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1
Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O
CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(NC3CCC(N)CC3)nc12 |(2.18,-.85,;.69,-.46,;.21,1.01,;1.12,2.25,;.21,3.5,;-1.25,3.02,;-2.58,3.8,;-2.58,5.34,;-1.25,6.11,;-1.25,7.65,;.08,8.42,;1.42,7.65,;1.42,6.11,;.08,5.33,;2.75,8.42,;2.87,6.66,;2.75,9.96,;4.08,9.19,;5.42,8.42,;6.75,9.19,;6.75,7.65,;5.42,6.88,;-3.92,3.02,;-3.92,1.48,;-5.25,.71,;-6.59,1.48,;-6.59,3.03,;-7.92,3.8,;-9.25,3.03,;-10.59,3.79,;-9.25,1.48,;-7.92,.71,;-2.58,.71,;-1.25,1.48,)|
c1ccc2c(c1)/C(=C/3\C(=O)c4ccccc4N3)/C(=O)N2
Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:8.20|
OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:12.21|
CN(C)S(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:14.23|
CN(C)S(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
OCCNS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:15.24|
OC(=O)CCNS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:17.26|
CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |r,w:24.33|
CN(C)C1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:20.30|
CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:18.27|
CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
CC1(O)C(=Nc2ccccc12)C1C(=O)Nc2ccc(Br)cc12 |c:3|
CN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:14|
CN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:14|
CN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)C(O)CO)c2c1 |t:14|
CC1(O)C(=Nc2ccccc12)C1C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCC(O)CC1 |c:3|
CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18|
CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18|
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
OC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8|
COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1Cl
Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:14.15|
CC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)n1C
COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1
CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1Cl
COc1ccc(cc1)C(=O)C(C)Oc1cccc(NC(=O)c2cccc(c2)[N+](O)=O)c1
Brc1ccc(cc1)S(=O)(=O)NCCSc1ccccn1
Fc1ccc(NC(=O)CSc2nnc(o2)-c2ccncc2)cc1
CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1
COc1cccc(c1)-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1
COc1cc(NC(=O)CSc2nncn2C)cc(OC)c1OC
[O-][N+](=O)c1cccc(c1)-c1nc(CCCN2C(=O)c3ccccc3C2=O)[o+][n-]1
CSc1ccc(cc1)S(=O)(=O)NCc1ccccn1
COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:22.23|
COc1ccc(NC(=O)CN2CCOCC2)c(c1)[N+]([O-])=O
CC1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)C(O)=O
CN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
COc1cc(cc(OC)c1OC)-c1nnc(SCC(N)=O)n1C
CCCC(=O)Nc1cc([nH]n1)C1CC1
COc1cccc(OC)c1NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:21.23|
CCOc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2c1
COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1
Clc1cccc(Cl)c1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1
COc1ccc(OCC(=O)Nc2cc(ccc2C)-c2nn3c(C)nnc3s2)cc1
[O-]C(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
CN1CCN(CC1)C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
Cc1c(NS(=O)(=O)c2cccc3nonc23)c(=O)n(-c2ccccc2)n1C
CC(=O)N=S([O-])(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
CCOc1ccc(cc1Cc1c(O)nc(N)[nH]c1=O)C(C)=O
CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)CS(=O)(=O)c1ccc(Br)cc1
Cc1ccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(C)c1
CC(Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1
CN(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
COc1ccc(cc1)C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1
Cc1cc(C)c(cc1C)S(=O)(=O)NCc1ccccn1
[O-][N+](=O)c1ccc(cc1)-c1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1
COC(=O)c1ccccc1Oc1nc(NC(C)C)nc(NC(C)C)n1
COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C
[O-][N+](=O)c1ncn(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1
Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccnc1
COc1ccc(NC(=O)CCSc2nnc3scc(-c4ccc(C)cc4)n23)cc1
Cc1[nH]c2ncnn2c(=O)c1NS(=O)(=O)c1ccc(Br)cc1
Cc1[n-][o+]nc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCOCC1
COc1ccc(cc1NC(=O)C(C)Oc1ccccc1C)[N+]([O-])=O
COc1ccc(cc1)-c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C
COc1cc(ccc1NC(=O)CN1CCOCC1)[N+]([O-])=O
[O-][N+](=O)c1cccc(c1)-c1nn(CC(=O)NCC2CCCO2)c(=O)c2ccccc12
CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2C)c1
O=C(CC1OCCN(Cc2ccccc2)C1=O)Nc1ccc2OCCOc2c1
Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C#N)n1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(F)cc2)n1
COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1SC
Clc1cc(Cl)c(cc1Cl)S(=O)(=O)NCc1ccccn1
COc1ccccc1NC(=O)CSc1nncn1C
Clc1ccc(c(Cl)c1Cl)S(=O)(=O)NCc1ccccn1
[O-][N+](=O)c1ccccc1CC(=O)Nc1ccccc1C(=O)N1CCOCC1
[O-][N+](=O)c1ccn(CC(=O)N2CCCc3ccccc23)n1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1
OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1
COc1ccccc1CNC(=O)CSc1nnnn1-c1c(C)cccc1C |(9.26,.77,;9.26,-.77,;7.93,-1.54,;6.59,-.77,;5.26,-1.54,;5.26,-3.08,;6.59,-3.85,;7.93,-3.08,;9.26,-3.85,;10.6,-3.08,;11.93,-3.85,;11.93,-5.39,;13.26,-3.08,;14.6,-3.85,;15.93,-3.08,;16.09,-1.55,;17.6,-1.23,;18.37,-2.56,;17.34,-3.7,;17.66,-5.21,;16.51,-6.24,;15.05,-5.77,;16.83,-7.75,;18.3,-8.22,;19.44,-7.19,;19.12,-5.69,;20.27,-4.66,)|
COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1
Cn1nc(nc1Oc1ccccc1C(=O)N1CCOCC1)[N+]([O-])=O
CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1C
OCCNc1nc2ccccc2n1CC(=O)c1cccc(c1)[N+]([O-])=O
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1c(C)nn(c1C)-c1ccccc1
CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Cc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]nc23)[nH]c1=O |w:11.12|
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1CNc1cnc2ccccc2c1
O=C(Cc1ccc(OCC[NH+]2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1
COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C
CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1c[nH]c2ccccc12
COc1cccc(NC(=O)CSc2nnnn2C)c1
c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F
[O-][N+](=O)c1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCc2cnc[nH]2)cc1 |w:9.8|
NC(=O)c1ccc(NCCCN2CCOCC2)c(c1)[N+]([O-])=O
O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc(n[nH]1)C1CC1
COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1Cl
COc1ccc(NC(=O)CSc2nnnn2C)cc1
COC(=O)c1ccccc1NC(=O)CSc1nnc(n1C)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,TLB:28:27:22.23.24:30,28:23:29.27.26:30|
COc1ccccc1NC(=O)CSc1nnc(-c2ccc(cc2)[N+]([O-])=O)n1-c1ccccc1
CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1
Cn1c(Cc2ccccc2)nnc1Sc1ccc(cc1C(=O)N1CCOCC1)[N+]([O-])=O
CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(CC1)c1ccccc1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCCC1
COc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccncc2)cc1
COc1ccc(cc1)-n1c(SCC(N)=O)nnc1-c1cccs1
NC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
C[NH+](C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:15.15|
COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1Cl
CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1-c1ccncc1
Cn1c(COc2cccc3cccnc23)nnc1SCC(N)=O
COc1ccc2c(C)nc(Nc3nc(C)cc(=O)[nH]3)nc2c1
CC(C)COC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:15.15|
COc1ccc(CC(NC(C)=O)c2ccc3cccnc3c2O)cc1OC
Cc1cccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc2CS(=O)(=O)Cc2c1 |w:13.15|
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)n1
Cc1c(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
CN1CCN(CC1)C(=O)CN(c1cc(ccc1Cl)C(F)(F)F)S(=O)(=O)c1ccccc1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O
Oc1ccc(cc1)\N=C\c1c(O)ccc2ccccc12
Oc1ccc(N=Nc2ccc(cc2)S(O)(=O)=O)c(=O)[nH]1 |w:6.6|
COCc1cc(\N=N\c2cccc(c2)S(N)(=O)=O)c2ccccc2c1N
O=C1C(C(=O)c2ccccc12)c1ccccn1
Cc1ccc(\N=N\c2ccc(N)cc2C)c(c1)S(N)(=O)=O
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Cc1ccc(cc1)N=Nc1c(O)ccc2nn[nH]c12 |w:8.9|
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Nc1ccc2C(=O)c3c(Cl)c(N)ccc3C(=O)c2c1Cl
Nc1cc(ccc1Nc1ccc(O)cc1)N(=O)=O
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br)C(C)(C)O |r|
C[C@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br)C(C)(C)O |r|
C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br |r|
C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=N)=O |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=O)=NC |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=O)=NC |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
COC[C@@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)[C@@H](C)O |r|
COC[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)[C@H](C)O |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@@H](C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)[C@H](C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)cc1 |r|
C[C@@H](Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
C[C@H](Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
CC(C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CS(=N)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
CCC(CO)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CC(C)(O)CSc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=C)=O)ncc1Br |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(C)(=O)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
COc1cc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(=O)(CC2CC2)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(=NS(=O)(=O)CC[Si](C)(C)C)C2CCCC2)ncc1Br)C(C)(C)O |r|
CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 |r|
CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 |r|
CCOc1nc(Nc2ccc(cc2)S(=N)(=O)CC)ncc1Br
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@H](C)O)n2)cc1 |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)C2CCCC2)ncc1Br)C(C)(C)O |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CC2CC2)ncc1Br)C(C)(C)O |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(CC=O)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br)C(C)(C)O |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1Br)C(C)(C)O |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1C |r|
C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=O)(CC=O)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(CCO)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1C |r|
CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
CN=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
CC(O)CSc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CC(O)C(C)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CCC(Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)O
CC(Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O
CCC(Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O
CCC(C)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CC(CO)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
Brc1cnn2c(NCc3ccncc3)cc(nc12)-c1ccccc1
Fc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1
Fc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Fc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Cl)c2n1
Clc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Fc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Cl)c2n1
Clc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1
CC(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1
CC(C)(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1
N#Cc1cnn2c(NCc3ccncc3)cc(nc12)-c1ccccc1
CN1CCN(CC1)c1cc(NCc2cccnc2)n2nccc2n1
CN1CCN(CC1)c1cc(NCc2cccnc2)n2ncc(Br)c2n1
CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCc2ccc(C)nc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCc2cccc(Cl)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCc2cccc(F)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NC2CCC2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCc2cc(C)nc(C)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCc2ccc(nc2)C(F)(F)F)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCc2cccc(C)n2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC[C@H](Nc1nc(NCc2ncccc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
C[C@@H](O)CNc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3cccnc3)nc(NCC(O)C(F)(F)F)nc12
CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(F)(F)F
c1cc(ccc1/N=N\c2c([nH]nc2N)N)O
Nc1n[nH]c(N)c1\N=N\c1ccncc1
CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)ncc1C(F)(F)F |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
C[C@@H](Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)C(C)(C)O |r|
C[C@@H](Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)ncc1C(F)(F)F)C(C)(C)O |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)ncc1C(F)(F)F |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C(F)F)ncc1C(F)(F)F |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CCCC2)ncc1C(F)(F)F |r|
C[C@@H](Oc1nc(Nc2ccc(cc2)S(=O)(=O)CC=C)ncc1C(F)(F)F)C(C)(C)O |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C(C)C)ncc1C(F)(F)F |r|
C[C@@H](Oc1nc(Nc2ccc(cc2)S(=O)(=O)CC#C)ncc1C(F)(F)F)C(C)(C)O |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)CCO)ncc1C(F)(F)F |r|
COC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
CS(=O)(=O)c1ccc(Nc2ncc(c(OCC#C)n2)C(F)(F)F)cc1
CS(=O)(=O)c1ccc(Nc2ncc(c(OCCC(F)(F)F)n2)C(F)(F)F)cc1
CS(=O)(=O)c1ccc(Nc2ncc(c(OCC=C)n2)C(F)(F)F)cc1
CS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCCC3)n2)C(F)(F)F)cc1
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3
CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
CCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCF)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCO)CC3)nc2n1C1CCCC1
COCCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CC(C)OCCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCOCCO)CC3)nc2n1C1CCCC1
C[C@@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(C)(C)O)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(O)CO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(C[C@@H](O)CO)CC3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(C[C@H](O)CO)CC3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C3CCCC3)nc2n1C1CCCC1
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CC(CO)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
COC(=O)C(C)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CC(N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1)C(O)=O
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC4CCCCC4)CC3)nc2n1C1CCCC1
CC(C)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CCC(C)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CC3CCCCC3)nc2n1C1CCCC1
CC(C)CCCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(F)(F)F)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(N)=O)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC#N)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCC#N)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(C)=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C3CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C3CCCCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCC3CCCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CN)nc2n1C1CCCC1
CN(C)CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)N3CCCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)N3CCCCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)N3CCOCC3)nc2n1C1CCCC1
C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@H]1CN(CCN1C(=O)OC(C)(C)C)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
CC1CN(CCN1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@@H]1CN(CCN1CCO)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@H]1CN(CCN1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@H]1CN(CCN1CCO)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNC(C)(C)C3)nc2n1C1CCCC1
CC1CN(CC(C)N1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNC(=O)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC(N)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC[C@H](O)C3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC(O)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N(C)CCN)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N(C)CCO)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CC(O)C4)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCNCC4)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(C)CC4)cn3)nc2n1C1CCCC1
CC1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1
C[C@H]1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(C)C(=O)C4)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CC4)C(C)=O)cn3)nc2n1C1CCCC1
CC(C)N1CCN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CC4)C(=O)CN)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CC5CCC(C4)N5)cn3)nc2n1C1CCCC1
C[C@H]1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)C[C@@H](C)N1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCC(O)CC4)cn3)nc2n1C1CCCC1
COCCN1CCN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CCO)CC4)cn3)nc2n1C1CCCC1
C[C@H](CO)NCc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)NC3CCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N(C)C3CCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN(CCO)CC3)nc2n1C1CCCC1
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC(O)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N(C)CCN)nc2n1C1CCCC1
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC(CCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C3CCNCC3)nc2n1C1CCCC1
CC(C)N1CCC(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C3CCN(CCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)OC(C)(C)C)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CCNCC3)nc2n1C1CCCC1
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nn1
CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CCN(CCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3cnc(cn3)N3CCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3cnc(cn3)N3CCN(CCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCC(C)(O)CC1 |(3.47,4.93,;4.24,3.6,;5.78,3.6,;3.47,2.26,;4.24,.93,;1.93,2.26,;1.02,3.51,;-.44,3.03,;-1.78,3.8,;-3.11,3.03,;-3.11,1.49,;-4.44,.72,;-4.44,-.82,;-3.11,-1.59,;-3.11,-3.13,;-4.44,-3.9,;-5.78,-3.13,;-5.78,-1.59,;-1.78,.72,;-.44,1.49,;1.02,1.02,;1.42,-.47,;.33,-1.56,;.73,-3.05,;2.22,-3.44,;1.82,-4.93,;3.31,-4.53,;3.31,-2.36,;2.91,-.87,)|
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)nc1
CNC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
CNC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(C)C)nc2n1C1CCCC1
C1CCC(C1)n1c(cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc12)-c1cnco1
C(N1CCNCC1)c1ccc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCOCC3)nc2n1C1CCCC1
NNc1ncnc2sc3CCCCc3c12
NNc1ncnc2sc3CCCCCc3c12
NNc1ncnc2sc3CCCc3c12
c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O
CC(=O)OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N
CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=N)=O)c2)ncc1F
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1
CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2cccc3CCCOc23)c1
CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2cccc3CCCOc23)c1
CS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1)=NC#N
CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
CCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F
CCS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
CCS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=O)=NC#N)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
COc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
CCOc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)ncc1F
CCOc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)C(F)(F)F)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
CCS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
CCS(=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)C(F)(F)C(F)(F)F)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)C(F)(F)F)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=N)(=O)C3CC3)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(=N)(=O)C3CC3)c2)ncc1F
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2cccc3CCOc23)c1
CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1
COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=O)=NC#N)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=N)=O)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)S(F)(F)(F)(F)F)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F
COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1
Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
NC(=O)c1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CC1
[O-]C(=O)c1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CC1
Brc1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CCCCC1
FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1
O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc([nH]n1)C1CC1
c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2
c1cc(ccc1N/N=C\2/c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N
COc1cccc(OC)c1NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1
CC(=O)N=S([O-])(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
C[NH+](C)CCNS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1
c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N
c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N
CCOc1ccc(cc1Cc1c(O)nc(N)nc1O)C(C)=O
COc1ccc2c(C)nc(Nc3nc(C)cc(O)n3)nc2c1
[O-][N+](=O)c1cccc(c1)-c1noc(CCCN2C(=O)c3ccccc3C2=O)n1
Cc1nonc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCOCC1
Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc(Br)cc1
COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
CC(C)COC(=O)c1ccc2c(c1)/C(=N/Nc3ccc(cc3)S(=O)(=O)N)/C(=O)N2
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CC(C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CCO)ncc1F
COC(=O)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC(F)(F)F)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=C)CN(C)C)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3C(=O)N(CCN(C)C)Cc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CC(CCc3n2)C(=O)CN)ncc1F
COC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(O)=O)ncc1F
Cc1nc2c(F)cc(cc2n1C1CCCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
CN1CCN(CC(=C)N2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(C6CCCC6)c5c4)ccc3C2)CC1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCOCC2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CC(C)(C)O)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)(C)N(C)C)ncc1F
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCCCC2)ncc1F
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CC2CC(O)C2)ncc1F |(7.29,3.08,;5.75,3.08,;4.84,1.83,;3.38,2.31,;2.05,1.54,;2.05,,;.71,2.31,;.71,3.85,;2.05,4.62,;3.38,3.85,;4.84,4.33,;5.24,5.81,;4.15,6.9,;6.73,6.21,;-.62,4.62,;-1.95,3.85,;-3.29,4.62,;-4.62,3.85,;-4.62,2.31,;-3.29,1.54,;-3.29,,;-4.62,-.77,;-4.62,-2.31,;-5.96,-3.08,;-7.29,-2.31,;-7.29,-.77,;-5.96,,;-5.96,1.54,;-5.96,-4.62,;-7.29,-5.39,;-4.62,-5.39,;-3.22,-4.76,;-2.9,-3.26,;-1.39,-3.58,;-.09,-2.74,;-1.68,-4.92,;-3.29,6.16,;-1.95,6.93,;-.62,6.16,;.71,6.93,)|
Cc1nc2c(F)cc(cc2n1C1CCCCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
C[C@H]1CCC(CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F |r,wD:1.0,(6.44,6.68,;6.04,5.19,;4.55,4.79,;4.15,3.3,;5.24,2.22,;6.73,2.61,;7.13,4.1,;4.84,.73,;5.75,-.52,;7.29,-.52,;4.84,-1.76,;3.38,-1.29,;2.05,-2.06,;2.05,-3.6,;.71,-1.29,;.71,.25,;2.05,1.02,;3.38,.25,;-.62,1.02,;-1.95,.25,;-3.29,1.02,;-4.62,.25,;-4.62,-1.29,;-3.29,-2.06,;-3.29,-3.6,;-4.62,-4.37,;-4.62,-5.91,;-5.96,-6.68,;-7.29,-5.91,;-7.29,-4.37,;-5.96,-3.6,;-5.96,-2.06,;-3.29,2.56,;-1.95,3.33,;-.62,2.56,;.71,3.33,)|
CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC[C@H](C)CC5)c4c3)ccc2C1 |r,wD:31.32,(-3.29,-5.52,;-3.29,-7.06,;-4.62,-7.83,;-5.96,-7.06,;-7.29,-7.83,;-5.96,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-4.62,-.13,;-4.62,1.41,;-3.29,2.18,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,;-.62,2.18,;-1.95,1.41,;.71,1.41,;.71,-.13,;2.05,-.9,;2.05,-2.44,;3.38,-.13,;4.84,-.61,;5.75,.64,;7.29,.64,;4.84,1.88,;5.24,3.37,;4.15,4.46,;4.55,5.95,;6.04,6.35,;6.44,7.83,;7.13,5.26,;6.73,3.77,;3.38,1.41,;2.05,2.18,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,)|
C[C@H]1CCC(CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F |r,wD:1.0,(6.44,7.83,;6.04,6.35,;4.55,5.95,;4.15,4.46,;5.24,3.37,;6.73,3.77,;7.13,5.26,;4.84,1.88,;5.75,.64,;7.29,.64,;4.84,-.61,;3.38,-.13,;2.05,-.9,;2.05,-2.44,;.71,-.13,;.71,1.41,;2.05,2.18,;3.38,1.41,;-.62,2.18,;-1.95,1.41,;-3.29,2.18,;-4.62,1.41,;-4.62,-.13,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,;-5.96,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-5.96,-7.06,;-7.29,-7.83,;-4.62,-7.83,;-3.29,-7.06,;-1.95,-7.83,;-3.29,-5.52,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,)|
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F
Cc1nc2c(F)cc(cc2n1C1CCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CC(N)C2)ncc1F |(4.15,7.06,;5.24,5.97,;6.73,6.37,;4.84,4.49,;5.75,3.24,;7.29,3.24,;4.84,1.99,;3.38,2.47,;2.05,1.7,;2.05,.16,;.71,2.47,;.71,4.01,;2.05,4.78,;3.38,4.01,;-.62,4.78,;-1.95,4.01,;-3.29,4.78,;-4.62,4.01,;-4.62,2.47,;-3.29,1.7,;-3.29,.16,;-4.62,-.61,;-4.62,-2.15,;-5.96,-2.92,;-7.29,-2.15,;-7.29,-.61,;-5.96,.16,;-5.96,1.7,;-5.96,-4.46,;-7.29,-5.23,;-4.62,-5.23,;-4.22,-6.72,;-2.74,-6.32,;-1.4,-7.09,;-3.13,-4.83,;-3.29,6.32,;-1.95,7.09,;-.62,6.32,;.71,7.09,)|
CC(C)n1c(C)nc2c(cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F)C(F)(F)F
CNC1CC(C1)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 |(-1.4,-7.86,;-1.4,-6.32,;-2.74,-5.55,;-4.22,-5.95,;-4.62,-4.46,;-3.13,-4.06,;-5.96,-3.69,;-7.29,-4.46,;-5.96,-2.15,;-7.29,-1.38,;-7.29,.16,;-5.96,.93,;-5.96,2.47,;-4.62,3.24,;-4.62,4.78,;-3.29,5.55,;-3.29,7.09,;-1.95,7.86,;-.62,7.09,;.71,7.86,;-.62,5.55,;-1.95,4.78,;.71,4.78,;.71,3.24,;2.05,2.47,;2.05,.93,;3.38,3.24,;4.84,2.76,;5.75,4.01,;7.29,4.01,;4.84,5.26,;5.24,6.74,;4.15,7.83,;6.73,7.14,;3.38,4.78,;2.05,5.55,;-3.29,2.47,;-3.29,.93,;-4.62,.16,;-4.62,-1.38,)|
CN(C)CCNC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCN(C)C)ncc1F
CC(C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN(C)CCOC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
C[C@@H](N(C)C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
C[C@H](N(C)C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCO)ncc1F
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCO)ncc1F
CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CC(C2)N(C)C)ncc1F |(4.15,7.83,;5.24,6.74,;6.73,7.14,;4.84,5.26,;5.75,4.01,;7.29,4.01,;4.84,2.76,;3.38,3.24,;2.05,2.47,;2.05,.93,;.71,3.24,;.71,4.78,;2.05,5.55,;3.38,4.78,;-.62,5.55,;-1.95,4.78,;-3.29,5.55,;-4.62,4.78,;-4.62,3.24,;-3.29,2.47,;-3.29,.93,;-4.62,.16,;-4.62,-1.38,;-5.96,-2.15,;-7.29,-1.38,;-7.29,.16,;-5.96,.93,;-5.96,2.47,;-5.96,-3.69,;-7.29,-4.46,;-4.62,-4.46,;-4.22,-5.95,;-2.74,-5.55,;-3.13,-4.06,;-1.4,-6.32,;-1.4,-7.86,;-.07,-5.55,;-3.29,7.09,;-1.95,7.86,;-.62,7.09,;.71,7.86,)|
Cc1nc2c(F)cc(cc2n1CC1CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CN1CCC[C@@H]1C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CN1CCC[C@H]1C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
CN(C)CCN(C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCCN2)ncc1F
CN[C@H](C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC#C)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(C2)C#C)ncc1F
CN(C)C[C@H](O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CN1CCC[C@@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC4CCCN4CC#C)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#C)CCc3n2)ncc1F
C[C@@H](N)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CC(C)(C)N)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#CCN(C)C)CCc3n2)ncc1F
C[C@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|
C[C@H](N)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
C[C@@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|
CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Cc1nc2c(F)cc(cc2n1C1(C)CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC[Si](C)(C)C)CCc3n2)ncc1F
CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F
CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C\C=N\O)CCc3n2)ncc1F
[#6]-[#6](-[#6])-n1c(-[#6])nc2c(F)cc(cc12)-c1nc(-[#7]-c2ccc3-[#6]-[#7](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-c3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
C[C@@H]1NCCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
C[C@@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)P(C)(C)=O)CCc3n2)ncc1F
C[C@H]1CC[C@@H](CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F |r,wU:4.7,wD:1.0,(6.44,7.83,;6.04,6.35,;4.55,5.95,;4.15,4.46,;5.24,3.37,;6.73,3.77,;7.13,5.26,;4.84,1.88,;5.75,.64,;7.29,.64,;4.84,-.61,;3.38,-.13,;2.05,-.9,;2.05,-2.44,;.71,-.13,;.71,1.41,;2.05,2.18,;3.38,1.41,;-.62,2.18,;-1.95,1.41,;-3.29,2.18,;-4.62,1.41,;-4.62,-.13,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,;-5.96,-5.52,;-5.96,-7.06,;-4.62,-7.83,;-3.29,-7.06,;-1.95,-7.83,;-3.29,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,)|
C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=S)CCc3n2)ncc1F
C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(N)=N)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CCNC(N)=N)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC[Si](C)(C)C)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(=S)n4ccnc4)CCc3n2)ncc1F
Cc1nc2c(F)cc(cc2n1C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCC(N)NO)CCc3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C)c4c3)ccc2C1
CCn1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCOCC4)CCc3n2)ncc1F
CN1CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)CC1
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCP(C)(=O)CC4)CCc3n2)ncc1F
CN(CCO)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN(C)CCN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN(CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)CC[Si](C)(C)C
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(C)=N)CCc3n2)ncc1F
CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN(C)C(C)(C)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CCOP(=O)(OCC)C1(O)CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |w:8.7|
CN(CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)CCP(O)(O)=O
CCOP(=O)(CCN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)OCC
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CC(N)=NO)CCc3n2)ncc1F
CN(CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)C(\C)=N/O
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F
CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(=O)(CCN(C)(C)=O)CCc3n2)ncc1F
CCOP(=O)(OCC)N(C)CCN1(=O)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(CN(C)C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCC(=CC4)B(O)O)CCc3n2)ncc1F |c:32|
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCS(C)(=O)=O)CCc3n2)ncc1F
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CC=NO)CCc3n2)ncc1F
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CC(C)(C)N)CCc3n2)ncc1F
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCC(CC4)B(O)O)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
COCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(C)=O)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCO)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
COCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ncc3CNCCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ncc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN)ncc1F
COC(=O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC(O)=O)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCOCC2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CC(O)C2)ncc1F |(4.26,32.34,;5.35,31.25,;6.84,31.65,;4.95,29.76,;5.86,28.51,;7.4,28.51,;4.95,27.27,;3.49,27.74,;2.16,26.97,;2.16,25.43,;.82,27.74,;.82,29.28,;2.16,30.05,;3.49,29.28,;-.51,30.05,;-1.85,29.28,;-3.18,30.05,;-4.51,29.28,;-4.51,27.74,;-3.18,26.97,;-3.18,25.43,;-4.51,24.66,;-4.51,23.12,;-5.85,22.35,;-7.18,23.12,;-7.18,24.66,;-5.85,25.43,;-5.85,26.97,;-5.85,20.81,;-7.18,20.04,;-4.51,20.04,;-4.11,18.56,;-2.63,18.96,;-1.29,18.19,;-3.03,20.44,;-3.18,31.59,;-1.85,32.36,;-.51,31.59,;.82,32.36,)|
CN(C)C(=O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN(C)CCC(=C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(O)c4nc(C)n(C5CC5)c4c3)ccc2C1
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H]2CCCN2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC#C)C2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(\C)=N/O)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CB(O)O)CCc3n2)ncc1F
C[C@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
C[C@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCS(C)(=O)=NC#N)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC(N)=NO)CCc3n2)ncc1F
CCn1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCN(C)(C)=O)CCc3n2)ncc1F
CCOP(=O)(OCC)N(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC=NO)CCc3n2)ncc1F
C=CC(=O)Nc1cccc(c1)C(=O)Nc1ncc(s1)N1CCOCC1
CN1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
CCN1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
CC(C)(C)OC(=O)N1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
CN(C)C1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)C3CCC(CC3)NC(=O)C=C)s2)o1 |(7.03,2.4,;7.43,3.88,;8.92,4.28,;8.52,2.8,;6.34,4.97,;6.34,6.51,;4.88,6.99,;3.97,5.74,;2.43,5.74,;1.66,7.08,;.12,7.08,;-.78,8.32,;-2.25,7.85,;-2.25,6.31,;-3.58,5.54,;-3.58,4,;-2.25,3.23,;-2.25,1.69,;-3.58,.92,;-4.92,1.69,;-4.92,3.23,;-6.25,.92,;-7.58,1.69,;-6.25,-.62,;-7.58,-1.39,;-7.58,-2.93,;-6.25,-3.7,;-4.92,-2.93,;-4.92,-1.39,;-6.25,-5.24,;-7.58,-6.01,;-8.92,-5.24,;-7.58,-7.55,;-8.92,-8.32,;-.78,5.83,;4.88,4.5,)|
CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)N3CCC(CC3)NC(=O)C=C)s2)o1
CC(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)Oc3ccc(NC(=O)C=C)cc3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(CNC(=O)C=C)cc3)s2)o1
CC(C)(C)c1cnc(CSc2nnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)Nc3ccc(NC(=O)C=C)cc3)s2)o1
COc1cc(NC(=O)C=C)ccc1C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)C(=O)N3CCC(CC3)NC(=O)C=C)s2)o1
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](C3)Oc3ccc(NC(=O)C=C)cc3)s2)o1 |r|
FC(F)(F)c1cc(NCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)ncc1Cl |r|
CC(C)(C)c1cnc(\C=C\c2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(CCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
FC(F)(F)c1cccc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)c1 |r|
CC(C)(C)c1cnc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(CNCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)S(=O)(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
C=CC(=O)Nc1ccc(cc1)S(=O)N1CCCC(C1)Nc1ncc(SCc2ccncc2)s1
C=CC(=O)Nc1ccc(cc1)S(=O)N1CCCC(C1)Nc1ncc(SCc2cccnc2)s1
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ccccn2)s1 |r|
FC(F)(F)c1ncc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)cn1 |r|
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)S(=O)(=O)c3ccc4N(CCc4c3)C(=O)C=C)s2)o1 |r|
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](C3)Oc3ccc(NC(=O)C=C)cc3C(F)(F)F)s2)o1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCC2CCOCC2)s1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2cncnc2)s1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)CO)cn2)ncc1F
CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r|
CN(C)[C@H]1CCN(C1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
CCN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
CCN1CCC(COc2ccc(Nc3cc(c(F)cn3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
CN1CCC(CC1)Oc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OCC3CCN(CCCO)CC3)cn2)ncc1F
CN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
CN1CCC(CC1)OCc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OC3CCN(CCO)CC3)cn2)ncc1F
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nn5CCCc5c4c3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O
CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12
O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1
CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12
CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12
c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)[N+](=O)[O-]
OC(=O)c1ccc(cc1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
Cc1cc(C(O)=O)c(NCCc2c[nH]c3ccccc23)cc1[N+]([O-])=O
OC(=O)c1cc(c(Br)cc1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
COc1cc(NCCc2c[nH]c3ccccc23)c(cc1[N+]([O-])=O)C(O)=O
Cc1cc(NCCc2c[nH]c3ccccc23)c(cc1[N+]([O-])=O)C(O)=O
Nc1c(ccc(NCCc2c[nH]c3ccccc23)c1C(O)=O)[N+]([O-])=O
OC(=O)c1c(O)cccc1NCCc1c[nH]c2ccccc12
OC(=O)c1c(O)c(ccc1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)C#N
OC(=O)c1cc(Cl)ccc1NCCc1c[nH]c2ccccc12
OC(=O)c1cc(Br)ccc1NCCc1c[nH]c2ccccc12
c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)C(F)(F)F
OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)S(F)(F)(F)(F)F
Cc1cccc2[nH]cc(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c12
OC(=O)c1cc(ccc1NCCc1c[nH]c2cccc(Cl)c12)[N+]([O-])=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2cccc(F)c12)[N+]([O-])=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2ccc(Cl)cc12)[N+]([O-])=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2ccc(F)cc12)[N+]([O-])=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2c(F)cccc12)[N+]([O-])=O
Cc1ccc2c(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c[nH]c2c1
c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCc2c[nH]c3c2ccc(c3)Cl
COc1ccc2c(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c[nH]c2c1
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(F)ccc12)[N+]([O-])=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(OC(F)(F)F)ccc12)[N+]([O-])=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(Br)ccc12)[N+]([O-])=O
OCc1[nH]c2ccccc2c1CCNc1ccc(cc1C(O)=O)C(F)(F)F
OC(=O)c1cc(ccc1NCCc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(F)(F)F
OC(=O)c1cc(ccc1NCCc1c[nH]c2ccc(cc12)C#N)C(F)(F)F
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(ccc12)C#N)C(F)(F)F
OC(=O)c1cc(ccc1NCCc1c[nH]c2c(O)cccc12)C(F)(F)F
FC(F)(F)c1cc(C(=O)O[Na])c(NCCc2c[nH]c3ccccc23)cn1
FC(F)(F)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)-c1nnn[nH]1
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(F)ccc12)C(F)(F)F
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(Cl)ccc12)C(F)(F)F
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(Br)ccc12)C(F)(F)F
FC(F)(F)c1ccc(NCCc2c[nH]c3cc(Br)ccc23)c(c1)-c1nnn[nH]1
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(ccc12)C#N)S(F)(F)(F)(F)F
CCCc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
OC(=O)c1cc(SC(F)(F)F)ccc1NCCc1c[nH]c2ccccc12
OC(=O)c1cc(F)c(F)cc1NCCc1c[nH]c2ccccc12
OC(=O)c1cc2CCCCc2cc1NCCc1c[nH]c2ccccc12
OC(=O)c1cc2ccccc2cc1NCCc1c[nH]c2ccccc12
Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCNc1ccc(cc1C(O)=O)C(F)(F)F
Cc1[nH]c2c(Cl)c(Cl)ccc2c1CCNc1ccc(cc1C(O)=O)C(F)(F)F
OC(=O)c1cc(ccc1SCCc1c[nH]c2ccccc12)C(F)(F)F
CC(Cc1c(C)[nH]c2cc(F)ccc12)Nc1ccc(cc1C(O)=O)C(F)(F)F
OC(=O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2cc(F)ccc12
OC(=O)c1c(NCCc2c[nH]c3ccccc23)ccc(c1F)C(F)(F)F
OC(=O)c1cccc(c1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
Cc1cc(cc(C(O)=O)c1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
OC(=O)c1ccc(Br)cc1NCCc1c[nH]c2ccccc12
COC(=O)c1ccc(c(c1)C(=O)O)NCCc2c[nH]c3c2cccc3
CC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)OC(F)(F)F
Cn1cc(CCNc2ccc(cc2C(O)=O)[N+]([O-])=O)c2ccccc12
Cc1[nH]c2ccccc2c1CCNc1ccc(cc1C(O)=O)[N+]([O-])=O
Cc1ccc2[nH]cc(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c2c1
Cc1cccc2c(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c[nH]c12
OC(=O)c1cc(ccc1NCCc1c[nH]c2c(Cl)cccc12)[N+]([O-])=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(Br)ccc12)S(F)(F)(F)(F)F
CCOc1cc(NCCc2c[nH]c3cc(ccc23)C#N)c(cc1OCC)C(O)=O
OC(=O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2cc(Br)ccc12
OCc1[nH]c2ccccc2c1CCNc1ccc(SC(F)(F)F)cc1C(O)=O
OCc1[nH]c2cc(Br)ccc2c1CCNc1ccc(SC(F)(F)F)cc1C(O)=O
OC(=O)c1cc(SC(F)(F)F)ccc1NCCc1c[nH]c2cc(Br)ccc12
OC(=O)c1cc(SC(F)(F)F)ccc1NCCc1c[nH]c2cc(ccc12)C#N
Cc1c(ccc(NCCc2c[nH]c3ccccc23)c1C(O)=O)[N+]([O-])=O
COc1cc(NCCc2c[nH]c3ccccc23)c(cc1Br)C(O)=O
Cc1cc(C(O)=O)c(NCCc2c[nH]c3ccccc23)cc1Cl
COc1cc(NCCc2c[nH]c3ccccc23)c(cc1OC)C(O)=O
OC(=O)c1cc2OCOc2cc1NCCc1c[nH]c2ccccc12
OC(=O)c1cc2OCCOc2cc1NCCc1c[nH]c2ccccc12
OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)C1CC1
COc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
Cc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
CCc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
CC(C)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)-c1ccccc1
CC(C)(C)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
CC(C)Oc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
CCOc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
CC(C)(C)Oc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
CCSc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
Nc1cc(NCCc2c[nH]c3ccccc23)c(cc1[N+]([O-])=O)C(O)=O
OC(=O)c1c(NCCc2c[nH]c3ccccc23)cccc1[N+]([O-])=O
OC(=O)c1c(NCCc2c[nH]c3ccccc23)cccc1C(F)(F)F
OC(=O)c1c(NCCc2c[nH]c3ccccc23)cccc1C#N
OC(=O)c1cc(C=O)ccc1NCCc1c[nH]c2ccccc12
OC(=O)c1cc(ccc1NCCc1c([nH]c2ccccc12)-c1cccc[nH+]1)[N+]([O-])=O
OC(=O)c1[nH]c2ccccc2c1CCNc1ccc(cc1C(O)=O)[N+]([O-])=O
OC(=O)c1cc(ccc1NCCc1c[nH]c2cccc(O)c12)C(F)(F)F
OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(O)ccc12)C(F)(F)F
CN(C)C\C=C\C(=O)Nc1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cc(Cl)cc1Cl
COc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC4CCN(Cc3cccc(NC(=O)/C=C/CN(C)C)c3)CC4
COc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(S(=O)(=O)c2cccc(NC(=O)/C=C/CN(C)C)c2)CC1
CCOc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(S(=O)(=O)c2cccc(NC(=O)/C=C/CN(C)C)c2)CC1
c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
C=CC(=O)Nc4cccc(C(=O)N3CCC(NC(=O)c1n[nH]cc1NC(=O)c2c(Cl)cccc2Cl)CC3)c4
CN(C)C/C=C/C(=O)Nc1ccc(CN2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)cc1
CN(C)C/C=C/C(=O)Nc4cccc(CN3CCC(NC(=O)c1n[nH]cc1NC(=O)c2c(Cl)cccc2Cl)CC3)c4
CN(C)C/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)cc1
CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1
CCC(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)cc2)cc1
CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)cc2)c1
C=CC(=O)Nc1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1
CN(C)C/C=C/C(=O)Nc4ccc(N3CCC(NC(=O)c1n[nH]cc1NC(=O)c2c(Cl)cccc2Cl)CC3)cc4
CN(C)C/C=C/C(=O)Nc4cccc(N3CCC(NC(=O)c1n[nH]cc1NC(=O)c2c(Cl)cccc2Cl)CC3)c4
CN(C)C/C=C/C(=O)Nc4cccc(S(=O)(=O)N3CCC(NC(=O)c1n[nH]cc1NC(=O)c2c(F)cc(F)cc2F)CC3)c4
CN(C)C/C=C/C(=O)Nc4cccc(S(=O)(=O)N3CCC(NC(=O)c1n[nH]cc1NC(=O)c2c(F)cc(F)cc2F)CC3)c4
CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(F)cccc3F)CC2)c1
COc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(S(=O)(=O)c2cccc(NC(=O)/C=C/CN(C)C)c2)CC1
C=CC(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)c1
COc1ccc(Cl)c(C(=O)Nc2c[nH]nc2C(=O)NC2CCN(S(=O)(=O)c3cccc(NC(=O)/C=C/CN(C)C)c3)CC2)c1Cl
CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3ccccc3)CC2)c1
CCC(=O)Nc4cccc(S(=O)(=O)N3CCC(NC(=O)c1n[nH]cc1NC(=O)c2c(Cl)cccc2OC)CC3)c4
CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)C3CCC(F)(F)CC3)CC2)c1
COc1ccccc1NC(=O)Nc2c[nH]nc2C(=O)CC4CCN(S(=O)(=O)c3cccc(NC(=O)/C=C/CN(C)C)c3)CC4
COc1cccc(OC)c1C(=O)Nc2c[nH]nc2C(=O)NC4CCN(S(=O)(=O)c3cccc(NC(=O)/C=C/CN(C)C)c3)CC4
CCC(=O)Nc1cccc(CN2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1
C=CC(=O)Nc1cccc(CN2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3OC)CC2)c1
C=CC(=O)Nc1cccc(CN2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(F)cccc3F)CC2)c1
COc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(Cc2cccc(NC(=O)/C=C/CN(C)C)c2)CC1
CN(C)C/C=C/C(=O)Nc4cccc(CN3CCC(NC(=O)c1n[nH]cc1NC(=O)c2c(F)cc(F)cc2F)CC3)c4
CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3nscc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1
CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3nn(C)cc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1
CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3c(NC(=O)c4c(Cl)cccc4Cl)cnn3C)CC2)c1
CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(N(C)C(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1
Cc1[nH]nc(C(=O)NC2CCN(S(=O)(=O)c3cccc(NC(=O)/C=C/CN(C)C)c3)CC2)c1NC(=O)c1c(Cl)cccc1Cl
CC(C)c1[nH]nc(C(=O)NC2CCN(S(=O)(=O)c3cccc(NC(=O)/C=C/CN(C)C)c3)CC2)c1NC(=O)c1c(Cl)cccc1Cl
CN(C)C/C=C/C(=O)Cc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]c(-c4ccccc4)c3NC(=O)c3c(Cl)cccc3Cl)CC2)c1
Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1
[H][C@@]12CCCC(=C)[C@@]1(C)CC[C@@]1(C)OC3=C(C[C@@]21C)C(=O)C(NC)=CC3=O |r,c:15,26|
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
NS(=O)(=O)c1ccc(cc1)-n1ncc2c1[nH]c(=O)[nH]c2=N
CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1
CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)nc(C)nc2s1
CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)nc(C)nc2s1
Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)c2ccsc2n1
CN1CCN(CCCCOc2c(OCc3ccc(cc3)C#N)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N(C)CCN(C)C)nc-23)n1
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)C(F)(F)F)O
Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
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,)|
Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
[H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
CCc1cc2c(N\N=C/c3cccs3)ncnc2s1
C(c1cc2c(N\N=C/c3cccs3)ncnc2s1)c1ccccc1
CCc1c(C)sc2ncnc(N\N=C/c3cccs3)c12
CCc1cc2c(N\N=C/c3cccs3)nc(C)nc2s1
CCc1cc2c(N\N=C/c3cccs3)nc(nc2s1)-c1ccccc1
CC(C)c1cc2c(N\N=C(\C)c3cccs3)ncnc2s1
CCc1cc2c(N\N=C/C(C)(C)C)ncnc2s1
CC(C)c1cc2c(N\N=C/c3ccccn3)ncnc2s1
CC(C)c1cc2c(N\N=C/c3ccncc3)ncnc2s1
CC(C)c1cc2c(N\N=C/c3ccccc3)ncnc2s1
CC(C)c1cc2c(N\N=C/c3ccco3)ncnc2s1
Cc1ccc(\C=N/Nc2ncnc3sc(cc23)C(C)(C)C)nc1
CNCc1cccc(\C=N/Nc2ncnc3sc(cc23)C(C)(C)C)n1
CN(C)Cc1cccc(\C=N/Nc2ncnc3sc(cc23)C(C)(C)C)n1
CC(C)(C)c1cc2c(N\N=C/c3cccc(CN4CCOCC4)n3)ncnc2s1
CCc1cc2c(N\N=C/C3CC3)ncnc2s1
CC(C)(C)c1cc2c(N\N=C/c3cccc(CN)n3)ncnc2s1
CC(C)c1cc2c(N\N=C/c3cccnc3)ncnc2s1
CC(C)(C)c1cc2c(N\N=C/c3ccccn3)ncnc2s1
Cc1cccc(\C=N/Nc2ncnc3sc(cc23)C(C)(C)C)n1
CC(C)c1cc2c(N\N=C/c3cccs3)ncnc2s1
Cc1csc2ncnc(N\N=C/c3cccs3)c12
CC(C)c1cc2c(ncnc2s1)-n1ccc(n1)-c1cccs1
CC(C)(C)c1cc2c(N\N=C/c3cccs3)ncnc2s1
CC(C)(C)c1cc2c(N\N=C/c3cccc(CO)n3)ncnc2s1
CC(C)(C)c1cc2c(N\N=C/c3cccnc3)ncnc2s1
C1CCc2c(C1)sc1ncnc(N\N=C/c3cccs3)c21
Cc1cc2c(N\N=C/c3cccs3)ncnc2s1
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
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-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,)|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1c(Br)cc(C[C@H](C([O-])=O)[N+](C)(C)C)cc1I |r|
C[N+](C)(C)[C@H](Cc1cc(I)c(O)c(I)c1)C([O-])=O |r|
C[N+](C)(C)[C@H](Cc1cc(Br)c(O)c(I)c1)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|
C[N+](C)(C)[C@H](CCOc1ccc(Br)cc1Br)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](CCOc1c(Br)cc(Br)cc1I)C([O-])=O |r|
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
COc1cc(\C=C2/Oc3cc4occc4c(OC)c3C2=O)ccc1OCC(=O)Nc1ccccc1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2ccccc2[nH]1
C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r|
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(N3CCNCC3)c2[nH]1
C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r|
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C
Nc1ncccc1-c1nc2ccccc2[nH]1
Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1
O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
CC(C)C\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccc(Br)cc1
CC\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1
CCC1SCC(=O)N1c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F
C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1
Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1
COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)C2CC2)cc1F
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1
FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N
COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c12 |r|
C=CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r|
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |(53.41,-28.01,;54.75,-28.78,;56.08,-28.01,;56.08,-26.46,;57.41,-25.69,;58.74,-26.46,;60.22,-25.98,;61.13,-27.23,;60.22,-28.49,;60.7,-29.95,;59.67,-31.09,;58.16,-30.76,;57.13,-31.9,;57.6,-33.37,;56.56,-34.51,;59.11,-33.69,;60.14,-32.55,;58.75,-28.01,;57.41,-28.78,;60.69,-24.51,;62.2,-24.2,;62.68,-22.74,;61.65,-21.59,;60.13,-21.92,;59.67,-23.38,;62.12,-20.13,;63.62,-19.81,;64.1,-18.35,;63.07,-17.2,;61.56,-17.52,;61.08,-18.99,)|
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Nc1nc(I)c2nc[nH]c2n1
Nc1nc(-c2cccc(CC(O)=O)c2)c2nc[nH]c2n1
CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1
COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12
CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12
CC(C)c1cnn2c(NCc3cccc4n(C)ncc34)nc(OC3CCCNC3)nc12
Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
COc1ccc(cc1)-c1n[nH]c2-c3cccc(C=O)c3C(=O)c12
COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCN(CC4)C(N)=N)c3C(=O)c12
NC(=O)Nc1cccc2-c3[nH]nc(-c4csc(Cl)c4)c3C(=O)c12
O=C(NN1CCOCC1)Nc1cccc2-c3[nH]nc(-c4ccc(s4)C(=O)N4CCNCC4)c3C(=O)c12
CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
O\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
CC(C1CC1)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(NCCN(C)C)nc12
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
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)N[C@@H]1CCCC[C@@H]1N |r|
CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@@H](O)CO)nc12 |r|
CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|
c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br
CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|
c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)-n3c(C)ccc3CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
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)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
COc1cc(F)ccc1-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1
CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cncc4ccccc34)cc12 |r|
CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccccn1
Cc1nn(-c2nccs2)c2C(Br)C(C)(C)CC(=O)c12
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccncn1
c1cn2c(n1)C(=CNC2=O)C3CCCCC3
CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Oc1ccccc1Cl)cc2=O
CN1CCC(CC1)c1c(O)cc(O)c2c([O-])c([CH+]c3ccc(cc3)[N+]([O-])=O)oc12
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1nc(C)cc(C)n1)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1Cl)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(SC(C)(C)C)cc2=O
CCSc1cc(=O)c2c(O)cc(O)c(C3CCN(C)CC3O)c2o1
CN1CCC(CC1)c1c2O\C(=C/c3ccccc3Cl)C(=O)c2c(O)cc1O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1)cc2=O
CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1
O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1
Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1
Cc1n[nH]c2ncc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)|
CN(C)C(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1 |r,wU:16.15,19.19,(85.12,-20.14,;83.79,-20.91,;83.79,-22.45,;82.45,-20.15,;82.45,-18.61,;81.12,-20.92,;81.12,-22.46,;79.79,-23.23,;78.46,-22.46,;77.13,-23.24,;75.79,-22.47,;74.46,-23.24,;73.12,-22.47,;73.12,-20.92,;74.45,-20.15,;74.45,-18.61,;75.78,-17.84,;77.11,-18.61,;78.44,-17.84,;78.44,-16.3,;79.78,-15.53,;77.11,-15.53,;75.77,-16.3,;75.79,-20.92,;71.79,-20.15,;71.79,-18.61,;70.46,-20.93,;70.45,-19.38,;78.45,-20.93,;79.78,-20.15,)|
Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O |r,wU:14.13,17.17,(14.79,-47.72,;13.46,-48.49,;13.46,-50.03,;12.13,-50.8,;10.79,-50.04,;9.46,-50.81,;8.13,-50.04,;6.8,-50.81,;5.46,-50.05,;4.13,-50.82,;2.79,-50.05,;2.79,-48.5,;4.12,-47.73,;4.12,-46.19,;5.45,-45.42,;6.78,-46.19,;8.11,-45.42,;8.11,-43.88,;9.45,-43.11,;6.78,-43.11,;5.44,-43.88,;5.46,-48.5,;1.46,-47.73,;1.46,-46.19,;.13,-48.5,;.12,-46.96,;8.12,-48.51,;9.45,-47.73,;10.79,-48.5,;12.12,-47.72,;12.12,-46.18,)|
Cc1cnc(Nc2ccnn2C)nc1-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r|
Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
O=C(N1CCCC1)c1ccc(cc1)-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
COc1cc(ccc1-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCCC1
COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)C1CCNCC1
COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)C1CCC(C1)NC(C)=O
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1
CC(C)n1c(C)nc2ccc(cc12)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
O=C(Cc1ccc(cc1)B1NC=CC=C1)Nc1cc([nH]n1)C1CC1 |c:12,14|
Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
CC(=O)N(C1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |(2.68,4.11,;1.35,3.34,;.01,4.11,;1.35,1.8,;.01,1.03,;-1.32,1.8,;-2.66,1.03,;-2.66,-.51,;-1.32,-1.28,;.01,-.51,;-3.99,-1.28,;-5.32,-.51,;-5.32,1.03,;-6.65,1.8,;-7.99,1.03,;-7.99,-.52,;-6.65,-1.28,;-9.32,1.8,;-10.65,2.57,;2.68,1.03,;4.01,1.8,;5.34,1.03,;5.34,-.51,;4.02,-1.28,;2.68,-.52,;6.68,-1.28,;6.84,-2.81,;8.34,-3.13,;9.11,-1.8,;10.65,-1.8,;8.08,-.66,)|
Cn1cc(ccc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.66,-3.08,;9.33,-3.85,;8,-3.08,;6.66,-3.85,;6.66,-5.39,;8,-6.16,;9.33,-5.39,;10.66,-6.16,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;0,-1.54,;0,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.53,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-6.67,-3.85,;-9.33,-.77,;-10.66,0,;1.33,.77,;0,1.54,;2.67,1.54,;2.67,3.08,;4,3.85,;4,5.39,;5.33,6.16,;6.67,5.39,;6.67,3.86,;5.34,3.08,)|
CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|
C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O |r|
COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N(C)C(C)C)n(C)n1 |r|
CC(C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2ccnn2C)n[nH]1 |r|
CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|
CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2)n[nH]1 |r|
CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2S(C)(=O)=O)n[nH]1 |r|
COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)ccn1 |r|
Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CCC[C@H](CC2)OC(=O)NC2(C)CC2)on1 |r|
CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCC4CCCO4)c(C(C)C)c23)c(F)cc1F
CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F
CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)(F)S(C)(=O)=O)c(C(C)C)c23)c(F)cc1F
CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl
CCn1c(nc2cnccc12)-c1nonc1N
CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
CC(C)(C)\C=C(/C#N)C(=O)Nc1cccc(c1)-c1nn(c2nc[nH]c(=O)c12)C(C)(C)C
CCCC\C=C(/C#N)C(=O)Nc1cccc(c1)-c1nn(c2nc[nH]c(=O)c12)C(C)(C)C
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(cc3)C(O)=O)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccccc3)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cccc(c3)[N+]([O-])=O)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(Br)cc3)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccccc3Br)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(O)cc3)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccccc3O)\C#N)c2)c2c1nc[nH]c2=O
Cc1cc(NS(=O)(=O)c2ccc(Nc3n[nH]c4nc[nH]c(=O)c34)cc2)no1
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(cc3)[N+]([O-])=O)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccccc3[N+]([O-])=O)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cccc(Br)c3)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cccc(Cl)c3)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C#N)c2)c2c1nc[nH]c2=O
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cccc(c3)C(F)(F)F)\C#N)c2)c2c1nc[nH]c2=O
COc1ccc(\C=C(/C#N)C(=O)Nc2cccc(c2)-c2nn(c3nc[nH]c(=O)c23)C(C)(C)C)cc1
CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\C=C\c3ccccc3)\C#N)c2)c2c1nc[nH]c2=O
NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2c(n1)N(C1CCCC1)C(=O)C21CC1
CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@H]2CCC[C@@H]2C)C(=O)C32CC2)cc1 |r|
C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12 |r|
C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(cc3)S(=O)(=O)N[C@@H]3CCCN(C)C3)nc12 |r|
CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H](C)C2CC2)C(=O)C32CC2)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C(=O)C32CC2)c2cc(F)ccc2Cl)cc1
CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@]2(C)O)C(=O)C32CC2)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cc1 |r|
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1 |r|
CCCc1cnc(NC(=O)[C@@H](C)c2ccc(NC(C)=O)cc2)s1 |r|
Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
CC(C)c1cnc(NC(=O)C(C)c2ccc(NC(C)=O)cc2)s1
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1 |wU:4.7,wD:1.0,(14.91,1.09,;14.91,-.45,;13.57,-1.22,;13.57,-2.76,;14.91,-3.53,;16.24,-2.76,;16.24,-1.22,;14.91,-5.07,;13.57,-5.84,;13.57,-7.38,;12.24,-8.15,;12.24,-9.69,;10.9,-10.46,;10.9,-12,;9.57,-12.77,;8.24,-12,;8.24,-10.46,;9.57,-9.69,;10.9,-7.38,;9.44,-7.85,;8.54,-6.61,;9.44,-5.36,;8.96,-3.9,;7.5,-3.42,;7.5,-1.88,;8.96,-1.41,;9.87,-2.65,;10.9,-5.84,;12.24,-5.07,)|
NCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:18.18,wD:15.14,(-6.95,6.9,;-5.47,7.3,;-4.38,6.21,;-2.89,6.61,;-1.8,5.52,;-.31,5.92,;.77,4.83,;.38,3.34,;1.46,2.26,;2.95,2.65,;4.04,1.57,;3.64,.08,;2.15,-.32,;1.76,-1.81,;.27,-2.2,;-.82,-1.11,;-.42,.37,;-1.51,1.46,;-3,1.06,;-4.09,2.15,;-3.4,-.42,;-2.31,-1.51,;2.85,-2.9,;4.33,-2.49,;5.62,-3.31,;6.82,-2.34,;6.29,-.95,;4.73,-1.01,;5.62,-4.85,;6.95,-5.62,;6.61,-7.15,;5.11,-7.3,;4.49,-5.88,;3.35,4.15,;2.25,5.23,)|
NCCCNCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:22.22,wD:19.18,(-9.53,7.59,;-8.04,7.99,;-6.95,6.9,;-5.47,7.3,;-4.38,6.21,;-2.89,6.61,;-1.8,5.52,;-.31,5.92,;.77,4.83,;2.26,5.23,;3.35,4.14,;2.95,2.65,;4.04,1.57,;5.52,1.96,;6.61,.88,;6.21,-.61,;4.73,-1.01,;4.33,-2.5,;2.84,-2.89,;1.76,-1.81,;2.15,-.32,;1.06,.77,;-.42,.37,;-1.51,1.46,;-.82,-1.11,;.27,-2.2,;5.43,-3.59,;6.91,-3.18,;8.2,-4,;9.4,-3.03,;8.87,-1.64,;7.3,-1.7,;8.2,-5.54,;9.53,-6.31,;9.18,-7.84,;7.69,-7.99,;7.07,-6.57,;5.92,3.46,;4.83,4.54,)|
NCCCNCCCCNCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:26.26,wD:23.22,(-12.11,8.28,;-10.62,8.68,;-9.53,7.59,;-8.04,7.99,;-6.95,6.9,;-5.47,7.3,;-4.38,6.21,;-2.89,6.61,;-1.8,5.52,;-.31,5.92,;.77,4.83,;2.26,5.23,;3.35,4.14,;4.84,4.54,;5.93,3.45,;5.53,1.96,;6.61,.88,;8.1,1.27,;9.19,.18,;8.79,-1.3,;7.31,-1.7,;6.91,-3.19,;5.42,-3.58,;4.33,-2.5,;4.73,-1.01,;3.64,.08,;2.15,-.32,;1.06,.77,;1.75,-1.8,;2.84,-2.89,;8,-4.28,;9.49,-3.87,;10.77,-4.69,;11.98,-3.72,;11.44,-2.33,;9.88,-2.39,;10.77,-6.23,;12.11,-7,;11.76,-8.53,;10.27,-8.68,;9.65,-7.26,;8.5,2.77,;7.41,3.85,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(N)=O)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-5.52,2.1,;-4.43,1.01,;-2.94,1.41,;-1.86,.32,;-2.25,-1.17,;-3.74,-1.57,;-4.83,-.48,;-1.16,-2.26,;.32,-1.86,;.72,-.37,;2.2,.02,;2.6,1.51,;1.51,2.6,;.03,2.2,;-1.06,3.29,;-.66,4.78,;.82,5.18,;1.91,4.1,;-1.75,5.87,;-1.35,7.35,;-3.24,5.47,;3.29,-1.06,;4.86,-1,;5.39,-2.4,;4.19,-3.36,;4.19,-4.9,;5.52,-5.67,;5.18,-7.2,;3.68,-7.35,;3.06,-5.94,;2.9,-2.55,;1.42,-2.95,)|
NCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:20.20,wD:17.16,(-7.5,7.65,;-6.41,6.56,;-4.92,6.96,;-3.83,5.87,;-2.35,6.26,;-1.26,5.18,;.23,5.57,;.63,7.06,;1.32,4.49,;.92,3,;2,1.91,;3.49,2.31,;4.58,1.22,;4.18,-.27,;2.7,-.66,;2.3,-2.15,;.81,-2.55,;-.28,-1.46,;.12,.03,;-.97,1.12,;-2.45,.72,;-3.54,1.81,;-2.85,-.77,;-1.76,-1.86,;3.39,-3.24,;4.88,-2.84,;6.17,-3.65,;7.37,-2.69,;6.83,-1.29,;5.27,-1.36,;6.17,-5.19,;7.5,-5.96,;7.15,-7.49,;5.66,-7.65,;5.04,-6.23,;3.89,3.8,;2.8,4.89,)|
NCCCNCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:24.24,wD:21.20,(-10.08,8.34,;-8.99,7.25,;-7.5,7.65,;-6.41,6.56,;-4.92,6.96,;-3.83,5.87,;-2.35,6.27,;-1.26,5.18,;.23,5.57,;1.32,4.49,;2.81,4.88,;3.2,6.37,;3.9,3.8,;3.5,2.31,;4.58,1.22,;6.07,1.62,;7.16,.53,;6.76,-.96,;5.28,-1.35,;4.88,-2.84,;3.39,-3.24,;2.3,-2.15,;2.7,-.66,;1.61,.43,;.12,.03,;-.97,1.12,;-.28,-1.46,;.81,-2.55,;5.97,-3.93,;7.45,-3.53,;8.74,-4.34,;9.94,-3.38,;9.41,-1.98,;7.85,-2.05,;8.74,-5.88,;10.08,-6.65,;9.73,-8.19,;8.23,-8.34,;7.61,-6.92,;6.47,3.11,;5.37,4.19,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
NCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:21.21,wD:18.17,(7.14,10.78,;6.75,9.29,;5.26,8.89,;4.86,7.41,;3.37,7.01,;2.97,5.52,;1.49,5.12,;.4,6.21,;1.09,3.63,;-.4,3.24,;-.8,1.75,;.29,.66,;-.11,-.82,;.98,-1.91,;.58,-3.4,;-.9,-3.8,;-1.3,-5.28,;-2.79,-5.68,;-3.88,-4.59,;-3.48,-3.11,;-4.57,-2.02,;-6.06,-2.41,;-7.14,-1.33,;-6.45,-3.9,;-5.37,-4.99,;-.21,-6.38,;1.28,-5.97,;2.56,-6.79,;3.77,-5.82,;3.23,-4.42,;1.67,-4.49,;2.56,-8.33,;3.9,-9.1,;3.55,-10.63,;2.06,-10.78,;1.44,-9.36,;1.78,1.06,;2.17,2.55,)|
NCCCNCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:25.25,wD:22.21,(9.03,12.67,;8.63,11.18,;7.14,10.78,;6.75,9.29,;5.26,8.89,;4.86,7.41,;3.37,7.01,;2.97,5.52,;1.49,5.12,;1.09,3.63,;-.4,3.24,;-1.49,4.32,;-.8,1.75,;-2.29,1.35,;-2.68,-.13,;-1.6,-1.22,;-1.99,-2.71,;-.91,-3.8,;-1.3,-5.29,;-2.79,-5.68,;-3.19,-7.17,;-4.67,-7.57,;-5.76,-6.48,;-5.36,-4.99,;-6.45,-3.9,;-7.94,-4.3,;-9.03,-3.21,;-8.34,-5.79,;-7.25,-6.88,;-2.09,-8.26,;-.61,-7.86,;.68,-8.67,;1.88,-7.71,;1.35,-6.31,;-.22,-6.38,;.68,-10.21,;2.01,-10.98,;1.67,-12.51,;.17,-12.67,;-.45,-11.25,;-.1,-.82,;.29,.67,)|
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
NC1=NONC1N1NN=C(C1CN1CCCCC1)C(=O)NN=Cc1ccncc1 |w:21.23,c:9,t:1|
NC1=NONC1N1N=NC(C1CN1CCCCC1)c1nnc([nH]1)-c1ccncc1 |c:8,t:1|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN1CC[C@H]([C@@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1Cl)cc2=O |r|
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)C1CCCC[C@H]1CCO |r|
Nc1nc(N[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+]([O-])=O |r|
COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC1CCCCC1 |t:1,4|
COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
CNc1nc(C(=O)\C=C\c2ccc(OC)cc2)c(C)s1
CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
C[C@H]1CC[C@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |r,wD:4.7,1.0,(3.42,-3.29,;3.42,-1.75,;4.76,-.98,;4.76,.56,;3.42,1.33,;2.09,.56,;2.09,-.98,;3.42,2.87,;4.55,3.9,;6.09,3.73,;7,4.98,;6.38,6.39,;4.85,6.56,;3.93,5.32,;2.43,5.17,;1.28,6.24,;-.22,5.76,;-.56,4.24,;-2.05,3.84,;-2.45,2.35,;-1.36,1.26,;-1.76,-.22,;-3.25,-.62,;-3.64,-2.1,;-5.12,-2.5,;-6.2,-1.42,;-5.81,.06,;-4.33,.46,;-3.94,1.95,;-5.52,-3.99,;-7,-4.38,;-4.43,-5.07,;-4.83,-6.56,;.59,3.17,;2.09,3.64,)|
CCCn1cc(\C=N\N=C2/C(=O)Nc3ccc(C)cc23)c2ccccc12
Brc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1
COc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1
Cc1cc(nc(OC2CCCCC2)n1)-c1cnc(Nc2ccccn2)s1
CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1
C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCN2CCOCC2)nn1C(=O)c1c(F)cccc1F
CCOC(=O)CCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
NCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
COCCOCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F
N[C@H](CO)C(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
CN1CCN(CCC(=O)NS(=O)(=O)c2ccc(Nc3nc(N)n(n3)C(=O)c3c(F)cccc3F)cc2)CC1
Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccc(N)c1)C(F)(F)F
COc1ccc(cc1OC)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
COc1cc(O)c2c(oc(cc2=O)-c2ccc(cc2)N2CCN(C)CC2)c1N1CCNCC1
C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)[S@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
CCC(CC)c1cc(n2c(n1)ccn2)N[C@H]3CC[C@@H](C3)N
CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1 |r|
C[C@@H](Nc1nc(C)nc2n(C)c(=O)c(cc12)C1CCN(CC1)C(C)=O)c1cc(N)cc(c1)C(F)(F)F |r|
C[C@]1(CCC[C@H]1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O
Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
c1cc(ccc1C(=O)N)Nc2nc(c(c(n2)OCC3CCCCC3)N=O)N
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
CC(C)(C)c1coc(CSc2cnc(NC(=O)C3CCNCC3)s2)n1
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
C[C@@H](CO)Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 |r|
C[C@@H](CO)Nc1nc(N)c(c(OCC2CCCCC2)n1)[N+](\[O-])=N\C#N |r|
ONC(=O)CCCn1cc(CNC2CCCCC2)c(n1)-c1ccccc1
ONC(=O)CCCn1cc(CNC2CC2)c(n1)-c1ccccc1
Fc1ccc(cc1)N1C(=O)CC(=O)N(C(=O)c2ccccc2)C1=S
Fc1ccc(cc1)N1C(=O)C(C2C(=O)N(C(=O)c3ccccc3)C(=S)N(C2=O)c2ccc(F)cc2)C(=O)N(C(=O)c2ccccc2)C1=S
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccc(C)n2)c1C#N
Cc1cc(NS(=O)(=O)c2ccc(Nc3nccc(-c4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)c3C#N)cc2)on1
[#6]-[#8]-c1ccccc1\[#6]=[#6]\[#6](=[#6](\C#N)C#N)\c1ccc(-[#7]S(=O)(=O)c2ccc(-[#6])cc2)cc1
Nc1c(cnc(NC2CCCCC2)c1[N+]([O-])=O)[N+]([O-])=O
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
COc1ccc2c(c1)[nH]c1c(C)nccc21
Nc1nonc1-n1nnc(C(=O)\N=N\Cc2ccncc2)c1CN1CCCCC1
Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n(C3CCCC3)c2n1
N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|
N[C@@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
O[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
OC[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
OC[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
OC[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|
OC[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|
NC[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1 |r|
N[C@H](Cc1ccccc1)C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1 |r|
O[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
OC[C@@H](Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
OC[C@H](Cc1ccccc1)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1 |r|
N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CCOC(=O)c1cnn2c(nc(NCc3ccccc3)nc12)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1nc(NCCc2ccccc2)nc2c(cnn12)C(=O)NCCc1ccccc1
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1 |r|
COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r,wU:19.20,wD:22.27,(35.27,-22.33,;36.78,-22.65,;37.26,-24.11,;37.81,-21.5,;39.33,-21.66,;40.11,-23,;39.96,-20.26,;38.81,-19.23,;38.82,-17.69,;37.48,-16.91,;36.15,-17.69,;36.15,-19.23,;37.48,-20,;34.82,-16.92,;34.82,-15.37,;33.48,-14.61,;32.15,-15.38,;32.15,-16.92,;30.81,-17.69,;30.81,-19.23,;32.15,-19.99,;32.14,-21.54,;30.8,-22.3,;29.47,-21.52,;29.48,-19.99,;30.79,-23.84,;29.46,-24.61,;28.13,-23.83,;26.8,-24.58,;26.78,-26.12,;28.11,-26.9,;29.46,-26.14,;33.48,-17.69,)|
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
CN(C)CCCNC(=O)Cc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1
COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3
O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
OCCOCCNS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3CCCN3)c12 |r|
CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccccc1
CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
CCc1c([nH]c2ccc(cc12)C(F)(F)F)C(=O)NCCc1ccc(cc1)N1CCOCC1
CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccc(cc1)N1CCOCC1
Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCOCC1
CC1CCCN1c1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2C)cc1
Cc1c([nH]c2cc(F)ccc12)C(=O)NCCc1ccc(F)cc1
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
Cc1cc(-n2c(O)c[nH]c2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 |(-9.96,5.1,;-8.62,4.33,;-8.63,2.79,;-7.29,2.02,;-7.29,.48,;-6.05,-.44,;-4.59,.03,;-6.53,-1.9,;-8.07,-1.9,;-8.54,-.43,;-10,.04,;-5.95,2.78,;-4.61,2.02,;-3.27,2.79,;-1.94,2.03,;-1.94,.49,;-.6,-.28,;.73,.5,;2.07,-.27,;.72,2.04,;2.05,2.82,;-.61,2.8,;-3.28,4.35,;-1.94,5.12,;-4.63,5.12,;-4.63,6.66,;-5.96,4.34,;-7.3,5.1,)|
Cc1cc(N2CCCCC2)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
Cc1cc(N2C(=O)CCCC2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(c3)C#N)c(O)c(=O)c2c1
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Cl)c3)c(O)c(=O)c2c1
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(c3)C(F)(F)F)c(O)c(=O)c2c1
Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O
Cc1cc(-n2c(O)ccc2O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 |(4.85,-37.16,;6.18,-37.93,;6.18,-39.47,;7.51,-40.24,;7.51,-41.78,;8.75,-42.7,;10.22,-42.22,;8.28,-44.16,;6.74,-44.16,;6.26,-42.69,;4.8,-42.22,;8.85,-39.48,;10.19,-40.24,;11.54,-39.46,;12.87,-40.23,;12.87,-41.77,;14.2,-42.54,;15.54,-41.76,;16.87,-42.53,;15.53,-40.22,;16.86,-39.44,;14.19,-39.46,;11.53,-37.91,;12.86,-37.14,;10.18,-37.13,;10.17,-35.59,;8.84,-37.92,;7.51,-37.16,)|
Cc1cc(-n2c(O)cn(C)c2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 |(5.1,5.59,;6.43,4.82,;6.43,3.28,;7.76,2.51,;7.76,.97,;9.01,.05,;10.47,.52,;8.53,-1.41,;6.99,-1.41,;6.08,-2.65,;6.52,.06,;5.05,.53,;9.1,3.27,;10.44,2.5,;11.79,3.28,;13.12,2.52,;13.12,.98,;14.45,.21,;15.79,.98,;17.12,.22,;15.78,2.53,;17.11,3.31,;14.44,3.29,;11.78,4.84,;13.11,5.61,;10.43,5.61,;10.42,7.15,;9.1,4.83,;7.76,5.59,)|
Cc1cc(N2CCCC2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
Oc1ccc(cc1O)-c1oc2ccccc2c(=O)c1O
c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
Cc1cc(N)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1
CCN(CC)c1cc(C)cc2c1oc(-c1ccc(O)c(O)c1)c(O)c2=O
CN1CCN(CC1)c1cc(C)cc2c1oc(-c1ccc(O)c(O)c1)c(O)c2=O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
Cc1cc(N2CCCC2)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Br)c3)c(O)c(=O)c2c1
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(C)(C)O)nc12
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1
Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:15.14,wD:18.18,(2.02,7.53,;.68,6.76,;-.65,7.53,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
O=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
Clc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
FC(F)(F)c1cc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)ccc1Cl
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(OC)cc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c3ccccc23)cc1
S=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1
COc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
Clc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1
Clc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(OC)cc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3cccc(Cl)c3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(Cl)cc3)c3ccccc23)cc1
O=C(N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12)c1ccccc1
COc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)c3ccccc3)c3ccccc23)cc1
CCc1cnn2c(NCc3nc4ccc(F)c(F)c4[nH]3)cc(nc12)N1CCCC[C@H]1CCO |r|
CNC(=O)CN1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1cnc2ccccn12
CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-n1ccc2ccccc12
CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CNC(=O)CN1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CC1CCN(CC1)NC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
CN(C)CC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CN(C)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CC(=O)NCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|
CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)C(C)C
CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
O=C(Cc1ccc(OCCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1)Nc1cc([nH]n1)C1CCC1
CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1
CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ccncn3)cc2)CC1
O=C(Nc1ccc(cc1)N1CCNCC1)c1n[nH]cc1Nc1cc(ncn1)C1CC1
O=C(Nc1ccc(cc1)N1CCNCC1)c1n[nH]cc1Nc1cc(OC2CCCC2)ncn1
O=C(Nc1ccc(cc1)N1CCNCC1)c1n[nH]cc1Nc1cc(Oc2ccccc2)ncn1
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
COc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:22|
Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\COCc4cccc(c4)-c1n2)c3 |t:23|
COc1ccc-2cc1COC\C=C\COCc1cc(Nc3nccc-2n3)ccc1OCCN1CCCC1 |t:12|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29|
OCCN1CCN(CC1)c1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:30|
CN(C)CCN(C)c1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:27|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)o3 |t:28|
CS(=O)(=O)N1CCc2cc(Nc3ncc(c(NCCCN)n3)C(F)(F)F)ccc2C1
c1ccc(cc1)CCCNc2ccc(cc2C(=O)O)[N+](=O)[O-]
Cc1ccc2n(C)cc(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c2c1
Cn1cc(CCNc2ccc(cc2C(O)=O)[N+]([O-])=O)c2c(Cl)cccc12
Cc1cccc2n(C)cc(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c12
OC(=O)c1cc(ccc1NCCc1coc2ccccc12)[N+]([O-])=O
OC(=O)c1cc(OC(F)F)ccc1NCCc1c[nH]c2ccccc12
CNS(=O)(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
CS(=O)(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
CNC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
OC(=O)c1ccc(cc1NCCc1c[nH]c2ccccc12)C(F)(F)F
OC(=O)c1cccc(c1NCCc1c[nH]c2ccccc12)C(F)(F)F
OC(=O)c1ccccc1NCCc1c[nH]c2ccccc12
Cn1cc(CCNc2ccc(cc2C(O)=O)[N+]([O-])=O)c2cc(Cl)ccc12
Cc1cccc2c(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)cn(C)c12
Cn1cc(CCNc2ccc(cc2C(O)=O)[N+]([O-])=O)c2cccc(Cl)c12
Cc1ccc2c(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)cn(C)c2c1
Cn1cc(CCNc2ccc(cc2C(O)=O)[N+]([O-])=O)c2ccc(Cl)cc12
Cn1cc(CCNc2ccc(cc2C(O)=O)[N+]([O-])=O)c2ccc(F)cc12
Cn1cc(CCNc2ccc(cc2C(O)=O)[N+]([O-])=O)c2ccc(Br)cc12
Cc1nc(\N=N\c2ccc(cc2)C([O-])=O)c(COP([O-])([O-])=O)c(C=O)c1O
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CC(C)c1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C(C)C)c(O)cc1C
Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C22OC(=O)c3ccccc23)c1I
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
c1cc(c(c(c1)O)O)O
Cc1cc(O)c(C=O)c2Oc3c(C)c(C(O)=O)c(O)c(COC(=O)\C=C\C(O)=O)c3OC(=O)c12
OC(=O)c1ccc(c2C3C=CCC3C(Nc12)c1ccc(Cl)cc1)[N+]([O-])=O |c:9|
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O
Cc1ccc(cc1)S(=O)(=O)Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Oc1ccc2cccc(O)c(=O)c2c1O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-c1ccccc1-[#6](-[#8])=O
Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Cc1nc(\N=N\c2cc(c3cc(cc(c3c2)S([O-])(=O)=O)[N+]([O-])=O)S([O-])(=O)=O)c(COP(O)([O-])=O)c(C=O)c1O
COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c2c1cc(cc(O)c2=O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(F)cc1
CN(C)CC(=O)Nc1cc(Nc2ncc(F)c(Nc3c(F)cccc3F)n2)ccc1F
CC(C)c1cnn2c(NCc3ccccc3)nc(OC3CCN(C)CC3)nc12
CC(C)c1cnn2c(NCc3ccccc3N)nc(OC3CCN(C)CC3)nc12
CC(C)c1cnn2c(NCc3cccc(N)c3)nc(OC3CCN(C)CC3)nc12
CC(C)c1cnn2c(NCc3ccc(N)cc3)nc(OC3CCN(C)CC3)nc12
CC(=O)Nc1ccccc1CNc1nc(OC2CCN(C)CC2)nc2c(C(C)C)cnn12
CC(=O)Nc1cccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c1
CC(=O)Nc1ccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(-n2ccnc2)c(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c1
CC(=O)Nc1cccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c1-n1ccnc1
CC(=O)Nc1ccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c(-n2ccnc2)c1
CC(=O)Nc1ccc(N(C)C)c(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c1
CC(=O)Nc1cccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c1N(C)C
CC(=O)Nc1ccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c(N(C)C)c1
CCC(=O)Nc1ccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)cc1
CC(C)c1cnn2c(NCc3ccc(NC(=O)CCCCCCO)cc3)nc(OC3CCN(C)CC3)nc12
CC(=O)Nc1ccc(CNc2nc(NC3CCN(C)CC3)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2nc(O[C@H]3CCCNC3)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2nc(O[C@@H]3CCCNC3)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2nc(NC3CCCNC3)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2nc(NC3CCNCC3)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2nc(NC3CCOCC3)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2nc(NC3COC3)nc3c(C(C)C)cnn23)cc1
CC[C@@H](CO)Nc1nc(NCc2ccc(NC(C)=O)cc2)n2ncc(C(C)C)c2n1
CC[C@H](CO)Nc1nc(NCc2ccc(NC(C)=O)cc2)n2ncc(C(C)C)c2n1
CC(=O)Nc1ccc(CNc2nc(NC(CO)CO)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2nc(N3CCC[C@@H]3CO)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2nc(N3CCC[C@@H](O)C3)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2nc(N3CCC[C@H](O)C3)nc3c(C(C)C)cnn23)cc1
CC(=O)Nc1ccc(CNc2cc(NC3CCOCC3)nc3c(C(C)C)cnn23)cc1
CC[C@@H](CO)Nc1cc(NCc2ccc(NC(C)=O)cc2)n2ncc(C(C)C)c2n1
CCC(=O)Nc1ccc(CNc2nc(NC3CCN(C)CC3)nc3c(C(C)C)cnn23)cc1
CCC(=O)Nc1ccc(CNc2nc(O[C@H]3CCCNC3)nc3c(C(C)C)cnn23)cc1
CCC(=O)Nc1ccc(CNc2nc(O[C@@H]3CCCNC3)nc3c(C(C)C)cnn23)cc1
CCC(=O)Nc1ccc(CNc2nc(NC3CCCNC3)nc3c(C(C)C)cnn23)cc1
CCC(=O)Nc1ccc(CNc2nc(NC3CCNCC3)nc3c(C(C)C)cnn23)cc1
CCC(=O)Nc1ccc(CNc2nc(NC3CCOCC3)nc3c(C(C)C)cnn23)cc1
CCC(=O)Nc1ccc(CNc2nc(N[C@@H](CC)CO)nc3c(C(C)C)cnn23)cc1
CCC(=O)Nc1ccc(CNc2nc(N[C@H](CC)CO)nc3c(C(C)C)cnn23)cc1
CCC(=O)Nc1ccc(CNc2nc(NC(CO)CO)nc3c(C(C)C)cnn23)cc1
CC(=O)N1CCC(C(=O)Nc2ccc(CNc3nc(NC4CCOCC4)nc4c(C(C)C)cnn34)cc2)CC1
CC(C)c1cnn2c(NCc3ccc(NC(=O)C4CCOCC4)cc3)nc(NC3CCOCC3)nc12
CC(C)c1cnn2c(NCc3ccc(NC(=O)C4(F)CC4)cc3)nc(NC3CCOCC3)nc12
CC[C@@H](CO)Nc1nc(NCc2ccc(NC(=O)C3CCN(C(C)=O)CC3)cc2)n2ncc(C(C)C)c2n1
CC[C@@H](CO)Nc1nc(NCc2ccc(NC(=O)C3CCOCC3)cc2)n2ncc(C(C)C)c2n1
CC[C@@H](CO)Nc1nc(NCc2ccc(NC(=O)C3(F)CC3)cc2)n2ncc(C(C)C)c2n1
CC[C@H](CO)Nc1nc(NCc2ccc(NC(=O)C3CCN(C(C)=O)CC3)cc2)n2ncc(C(C)C)c2n1
CC[C@H](CO)Nc1nc(NCc2ccc(NC(=O)C3CCOCC3)cc2)n2ncc(C(C)C)c2n1
CC[C@H](CO)Nc1nc(NCc2ccc(NC(=O)C3(F)CC3)cc2)n2ncc(C(C)C)c2n1
COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Nc1nccc(n1)-c1c2ccnc(N)n2c2nccc(O)c12
Nc1nccc(n1)-c1c[nH]c2nccc(O)c12
Nc1nccc(n1)-c1c[nH]c2ncccc12
CC(C)c1c2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc2nn1C
COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)n(C)n1 |r|
CC(C)N1CCN(C(=O)c2ccnc(Nc3cc(-c4ccc5nnn(C(C)C)c5c4)ccn3)c2)CC1
CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCC5)ccn4)c3)cc21
CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCN(C)CC5)ccn4)c3)cc21
C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(c1)C1CCCCC1)C(F)(F)F
CN1CCC(CC1)n1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(c1)-c1ccccc1F)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(c1)-c1ccccc1Cl)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(CC(F)(F)F)c1)C(F)(F)F
CC(C)(O)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(c1)-c1ccc(cc1Cl)C#N)C(F)(F)F
CNCc1ccc(c(Cl)c1)-n1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C(F)(F)F
CNCc1ccc(c(Cl)c1)-n1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(CC(F)(F)F)c1)C(F)(F)F
Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(CC(F)(F)F)c1)C(F)(F)F
Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1cnn(CC(F)(F)F)c1
FC(F)(F)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)c2ccccn2)ncc1C#N
CC(C)(O)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)C2CC2)ncc1C(F)(F)F
CC(C)(O)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)C2CC2)ncc1C#N
CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ncnc5c4)n3)ccc2nn1C
CN(C)C(=O)c1cc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2n1C1CCCC1
COc1ccccc1-c1cccc(Nc2cccc(N3CCCNCC3)c2)n1
N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)n1
N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)n5)cc24)CCCC3)C1
COc1ccccc1-c1ccnc(Nc2ccc3c(c2)CC(=O)C(C(C)=O)C3C)n1
Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]
Cc1cc(c(c2c1C(=O)OC3=C(C(=O)[C@H]([C@]([C@H]3O2)(C)OC)O)C)C)O
Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN
CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
C[C@H](N)C(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
CNCCN(C)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
C[C@@H](N)C(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
COCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
CC(=O)c1c(C)c2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O
Cn1cc(cn1)-n1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(nc12)N1CCOCC1
N[C@H]1CCN(C1)c1c2CCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)c1
N[C@H]1CCN(c2c3c(nc4ccc(-c5ccncc5)cc24)CCCC3)C1
CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc2n1C(=O)OC(C)(C)C
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Clc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
CN(C)C(=O)c1cc2cnc(Nc3ccc(S(=O)(=O)N(C)C)cc3Cl)cc2[nH]1
CN(C)C(=O)c1cc2cnc(Nc3ccc(-c4cnn(C)c4)cc3Cl)cc2[nH]1
COC1CCN(C(=O)c2ccc(Nc3cc4[nH]c(C(=O)N(C)C)cc4cn3)c(Cl)c2)CC1
CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(C(=O)N(C)C)n3C(=O)OC(C)(C)C)c(Cl)c1
CN(C)C(=O)c1cc2cnc(Nc3ccc(-c4cncn4C)cc3Cl)cc2n1C(=O)OC(C)(C)C
Cn1nc(N2CCC(=O)NC2=O)c2cc(C3CCN(Cc4cccc(S(=O)(=O)N5CCC(Nc6ncc(C(F)(F)F)c(-c7cnn(CC(F)(F)F)c7)n6)CC5)c4)CC3)ccc21
O=C1CCC(c2ccc(N3CCN(Cc4cccc(S(=O)(=O)N5CCC(Nc6ncc(C(F)(F)F)c(-c7cnn(CC(F)(F)F)c7)n6)CC5)c4)CC3)cc2)C(=O)N1
O=C1CCC(N2Cc3cc(C4CN(Cc5cccc(S(=O)(=O)N6CCC(Nc7ncc(C(F)(F)F)c(-c8cnn(CC(F)(F)F)c8)n7)CC6)c5)C4)ccc3C2=O)C(=O)N1
O=C1CCC(N2C(=O)c3cc(F)c(N4CC5(CN(Cc6cccc(S(=O)(=O)N7CCC(Nc8ncc(C(F)(F)F)c(-c9cnn(CC(F)(F)F)c9)n8)CC7)c6)C5)C4)cc3C2=O)C(=O)N1
O=C1CCC(N2Cc3ccc(N4CCC5(CCN(Cc6cccc(S(=O)(=O)N7CCC(Nc8ncc(C(F)(F)F)c(-c9cnn(CC(F)(F)F)c9)n8)CC7)c6)CC5)CC4)cc3C2=O)C(=O)N1
O=C1CCC(N2C(=O)c3cc(F)c(N4CCN(Cc5cccc(S(=O)(=O)N6CCC(Nc7ncc(Cl)c(-c8cnn(CC(F)(F)F)c8)n7)CC6)c5)CC4)cc3C2=O)C(=O)N1
Cn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCN(CC4CCN(S(=O)(=O)N5CCC(Nc6ncc(C(F)(F)F)c(-c7cnn(CC(F)(F)F)c7)n6)CC5)CC4)CC3)cc21
O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H]2CC3CCCCC3N2[C@]12C(=O)Nc1ccc(Cl)cc12
O=C(c1ccccc1[N+](=O)[O-])[C@H]1[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H]2CC3CCCCC3N2[C@]12C(=O)Nc1ccc(Cl)cc12
N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCCC(=O)NO)c4)ncc3Cl)n2)CCOCC1
N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCC(=O)NO)c4)ncc3Cl)n2)CCOCC1
N#CC1(CNc2cccc(-c3cc(Nc4cnn(Cc5ccc(C(=O)NO)cc5)c4)ncc3Cl)n2)CCOCC1
N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCCC(=O)Nc5ccccc5N)c4)ncc3Cl)n2)CCOCC1
N#CC1(CNc2cccc(-c3cc(Nc4cnn(Cc5ccc(C(=O)Nc6ccccc6N)cc5)c4)ncc3Cl)n2)CCOCC1
COc1cc(F)ccc1-c1cc(Nc2cnn(CCCCCCC(=O)NO)c2)ncc1F
COc1cc(F)ccc1-c1cc(Nc2cnn(CCCCCC(=O)NO)c2)ncc1F
COc1cc(F)ccc1-c1cc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)ncc1F
COc1cc(F)ccc1-c1cc(Nc2ccc(NC(=O)CCCCCCC(=O)Nc3ccccc3N)cc2)ncc1F
O=C(CCCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1)NO
O=C(CCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1)NO
CCCNNC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1
CCCNNC(=O)CCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1
CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)cc1
CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccc(-c6ccccc6)cn45)n3)cn2)cc1
CCCNNC(=O)CCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccc(-c5ccccc5)cn34)n2)cn1
CCN(CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1
NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncc(I)cn5)CC4)c3)nc12
Cc1nn2c(-c3ccccc3)ccnc2c1/C(N)=N/O
Cc1nn2c(-c3ccc(Cl)cc3)ccnc2c1/C(N)=N/O
Cc1nn2c(-c3ccc(Br)cc3)ccnc2c1/C(N)=N/O
Cc1nc(-c2c(C)nn3c(-c4ccccc4)ccnc23)no1
COc1ccc(-c2ccnc3c(-c4noc(C)n4)c(C)nn23)cc1
c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3c4c(ccn4ncn3)CN5CCC(CC5)N)F
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1[nH]c(/C=C2/C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1
COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C
CCN(CC)c1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
Cc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCCC1=O
CSc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
[O-][N+](=O)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
CN(C)c1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1ccc(cc1)-c1ccncc1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Clc1ccccc1CC(=O)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Oc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
CS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
CCNc1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
Clc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1cccc2ccccc12)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
O=C(Cc1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Cc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
CCN(CC)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
Fc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
Brc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
CCCCN(CCCC)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
O=C(Cc1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCC1=O
Fc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
Oc1c[nH]c(=O)n1-c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
Brc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1ccc(cc1)N1CCCCC1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
O=C(Cc1ccc2ccccc2c1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Nc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
Clc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
CCCN(CCC)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1-c1ccccc1
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1cccs1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccsc1)C1CC1
O=C(Nc1n[nH]c2cc(ccc12)-c1cccs1)C1CC1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccco1)C1CC1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccc[nH]1)C1CC1
O=C(Nc1[nH][nH]c2cccc12)C1CC1
Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccccc1
Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br
Brc1cc2c(NC(=O)C3CCN(Cc4ccccc4)C3)n[nH]c2nc1-c1ccco1
CCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1
Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1nccs1
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1nccs1
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1
O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1
Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1cccs1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccoc1)C1CC1
Fc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1)C1CC1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccccc1)C1CC1
Cc1cc(NC(=O)c2ccccc2)[nH]n1
CCCC(=O)Nc1cc(C)[nH]n1
O=C(Nc1cc(n[nH]1)C1CC1)c1ccccc1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Clc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
COc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
OC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Brc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
Clc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
COc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
FC(F)(F)c1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
Brc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
Clc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
COc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
Clc1cccc(Cl)c1C(=O)Nc1cc(n[nH]1)C1CC1
Clc1ccc(cc1Cl)C(=O)Nc1cc(n[nH]1)C1CC1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCC1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCC1
CCc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
CCCc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
CC(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
CC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Brc1ccc(cc1)C(=O)Nc1cc(Cc2ccccc2)[nH]n1
O=C(Cc1ccccc1)Nc1cc(n[nH]1)C1CC1
NC(=O)c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
COc1cccc(CC(=O)Nc2cc(n[nH]2)C2CC2)c1
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc(n[nH]1)C1CC1
Fc1cc(CC(=O)Nc2cc(n[nH]2)C2CC2)ccc1-c1ccccc1
Cc1cc(CC(=O)Nc2cc(n[nH]2)C2CC2)ccc1-c1ccccc1
O=C(Cc1ccc(Cc2cccs2)cc1)Nc1cc(n[nH]1)C1CC1
CO[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
CO[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
N[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
O=C(Nc1cc(n[nH]1)C1CC1)C(=O)c1ccccc1
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r|
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r|
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1 |r|
N[C@@H](CCCN=CC1C(=O)Nc2ccc(Br)cc12)C(O)=O |r,w:6.6|
OCCn1cnc2c(NCc3ccccc3)nc(NCc3ccc(Br)cc3)nc12
c1c(nc(cn1)Cl)N
c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccoc1 |w:12.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccccc1 |w:12.14|
O=C1NC(=O)c2ccc(Nc3ccccc3)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:19.22|
CN1CCN(CC1)c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)N1CCOCC1 |w:12.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)N1CCCCC1 |w:12.14|
CC(=O)Nc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:14.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-n1cccc1 |w:12.14|
CN(C)C(=O)c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:15.15|
Ic1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
[O-][N+](=O)c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:13.13|
COc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:12.12|
Clc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccccc23)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)C#Cc2ccccc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccc(C=O)cc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccco2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccccc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)N2CCCCC2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(NC(C)=O)cc23)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1 |w:12.12|
CN(C)C(=O)c1ccc2C(=O)NC(=O)C(=CNc3ccc(cc3)N3CCN(C)CC3)c2c1 |w:15.15|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)[N+]([O-])=O)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3cc(Br)ccc23)cc1 |w:12.12|
O=C1NC(=O)c2ccccc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:12.14|
O=C1NC(=O)c2ccccc2C1=CNc1ccc(CN2CCOCC2)cc1 |w:12.14|
O=C1NC(=O)c2ccccc2C1=CNc1ccc(cc1)N1CCOCC1 |w:12.14|
Brc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
CN1CCN(CC1)c1cnc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
CN1CCN(CC1)c1ncc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1F |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)nn1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)nc1 |w:12.12|
C[C@@H]1CN([C@@H](C)CN1C)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |r,w:14.14|
CC1CN(CCN1C)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |w:13.13|
C[C@H]1CN(C[C@@H](C)N1C)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |r,w:14.14|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |r,w:13.13|
CN1CC2CC1CN2c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |w:13.14,THB:0:1:7.6:4|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)C#N |w:12.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccc(Oc2ccccc2)cc1 |w:12.14|
COc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|
COc1cccc(c1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|
Oc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
Oc1cccc(c1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
Clc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
Fc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccsc1 |w:12.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1cccnc1 |w:12.14|
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CN(C)C)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)[C@H](C)O)n1 |r|
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CCN(C)C)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(F)cc2)n1
COc1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N(C)C)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCC[C@H]2C(=O)N(C)C)ncc1F |r|
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC[C@H](C2)NC(C)=O)ncc1F |r|
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC(C2)NC(C)=O)ncc1F
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
Cc1cccc(c1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
O=C(N1CCc2c(C1)[nH]c1ccccc21)c1ccccc1-c1cccnc1
O=C(N1CCc2c(C1)[nH]c1ccccc21)c1ccccc1-c1ccncc1
O=C(NCCc1c[nH]c2ccccc12)c1cccc(c1)-c1cccnc1
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccncc1
COc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Cc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Cc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Fc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Fc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
COc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
COc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Cc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Cc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Cc1ccc(cc1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Fc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Fc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Fc1ccc(cc1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Fc1ccccc1-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
Fc1cccc(c1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
Fc1ccc(cc1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
Cc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Fc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
COc1ccccc1-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
COc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
COc1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
CC(C)(C)c1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Fc1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
O=C(NCCc1c[nH]c2ccccc12)c1cccc(c1)-c1ccccc1
COc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Cc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
O=C(NCCc1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)CCc1c[nH]c2ccccc12
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(cc1)C(C)(C)C
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(C)cc1
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccccc1
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1
CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Cc1ncc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)n1C
COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
CC(C)OCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
COCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCCOC)n1
Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC
COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2CC(C)C)cc1
COCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CC2)cc1
COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc(C)n2C)cc1
CN(C)CCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
CCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Cc2ccccc2)n1
COCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CC2CCCO2)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN(C)C)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN2CCOCC2)n1
Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
C[C@@H]1CNC[C@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
C[C@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
C[C@H]1CNC[C@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
CC1CNCC(C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
CC1CCC(CN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
CC1NCCCC1C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCNC3)s2)o1
CC(C)C1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
CCC1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
CC1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC
C[C@H](CO)NC(=O)c1sc(nc1C)-c1ccnc(Nc2cc(C)cc(C)c2)n1 |r|
Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)N[C@@H](C)CO)C)C
OCCCOc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Oc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Cc1cc(Nc2nccc(n2)-c2nc(CO)cs2)cc(c1)C(F)(F)F
COc1cc(Nc2nccc(n2)-c2ncc(C)s2)cc(c1)C(F)(F)F
OCc1csc(n1)-c1ccnc(Nc2cc(O)cc(c2)C(F)(F)F)n1
COc1cc(Nc2nccc(n2)-c2nc(CO)cs2)cc(c1)C(F)(F)F
Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(c2)C(F)(F)F)n1
Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1
Cc1cc(C)cc(Nc2nccc(n2)-c2nc(CO)cs2)c1
Cc1cc(C)cc(Nc2nccc(n2)-c2ncc(CO)s2)c1
Cc1csc(n1)-c1ccnc(Nc2cc(C)cc(C)c2)n1
Cc1cnc(s1)-c1ccnc(Nc2cc(C)cc(C)c2)n1
Cc1ccc(C)c(Nc2nccc(n2)-c2nccs2)c1
Cc1cccc(Nc2nccc(n2)-c2nccs2)c1
COc1cc(Nc2nccc(n2)-c2nccs2)cc(OC)c1
Cc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
COc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Cc1cc(C)cc(Nc2nccc(n2)-c2nccs2)c1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(N)=O)n1
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N(C)C)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CC2)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NCCO)n1
CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC)n1
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2CC2CC2)cc1
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C3CC3)n2C(C)C)cc1
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(COC)n2C(C)C)cc1
CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)N(C)C)c(F)c2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(F)c2)ncc1F
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(C)c2)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)ncc1F
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F |r|
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@H](C2)N(C)C)ncc1F |r|
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F
CCCN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r|
CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r|
CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 |r|
NC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:10|
CNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:11|
CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:12|
O=C1N(CCCSC2=NCCN2)C(=O)C2=C1N1C(Cc3ccccc13)c1cccc3ccn2c13 |c:15,t:7|
N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Cl)cc23)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccccc2)cc1O |w:8.7|
COc1ccc(cc1O)C(C)N\C=C1/C(=O)NC(=O)c2ccc(Br)cc12
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:8.7|
COc1cc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc(O)c1OC
CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:10.9|
Oc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
COCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1cccnc1 |w:6.5|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccccn1 |w:6.5|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccco1 |w:6.5|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccccc1 |w:6.5|
Cc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:7.6|
Nc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:7.6|
CCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:9.8|
COc1ccc(CN(C)\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1O |w:8.7|
COc1ccc2C(=O)NC(=O)C(=CNCc3ccc(OC)c(O)c3)c2c1 |w:12.12|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3cccc(Br)c23)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(F)cc23)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1O |w:8.7|
Oc1cccc(CNC=C2C(=O)NC(=O)c3ccccc23)c1 |w:8.7|
Oc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1 |w:7.6|
Oc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1O |w:7.6|
Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccoc4)c(=O)c3)c2c1 |w:11.11|
Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccccc4)c(=O)c3)c2c1 |w:11.11|
Brc1ccc2C(=O)NC(=O)C(=CNCc3cc[nH]c(=O)c3)c2c1 |w:11.11|
COc1coc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1=O |w:8.7|
COc1cc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)ccn1 |w:7.6|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)ncc1-c1ccoc1 |w:6.5|
CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccoc3)c2c1 |w:14.14|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ncc1-c1ccoc1 |w:6.5|
CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccccc3)c2c1 |w:14.14|
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)cc1O |w:10.9|
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C(C)(C)C)cc1O |w:10.9|
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:10.9|
COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:8.7|
CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccncc1 |w:6.5|
O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|
Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC
Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4|
COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|
COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)ccc12 |t:4|
COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(Br)cc12 |t:13|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(Cl)ccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(I)ccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(ccc12)C1CC1 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CO)c12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cccc(CO)c12 |t:4|
Oc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
C(Oc1nc(Nc2ccccc2)nc2nc[nH]c12)C1CCCCC1
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
C1CC1Nc1nccc(n1)-c1cnn2ncccc12
FC(F)(F)CNc1nccc(n1)-c1cnn2ncccc12
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F
CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
[O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
N#Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
N(c1cccc(c1)-c1cocn1)c1nccc(n1)-c1cnn2ncccc12
NC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
OC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
CCN(CC)CCNC(=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3nc(ccc23)-c2ccc(F)cc2)cc1
CC(C)Oc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2cnn3nc(ccc23)N2CCOCC2)cc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
CC(C)(C)c1cnc(CSc2cnc(NCC3CCNCC3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NCC3CCCCC3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)|
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CC[C@H](N)CC3)s2)o1 |r,wD:15.14,18.18,(-8.74,-18,;-7.24,-18.41,;-6.8,-16.94,;-7.67,-19.89,;-5.77,-18.89,;-5.3,-20.35,;-3.76,-20.35,;-3.28,-18.89,;-1.81,-18.41,;-.67,-19.45,;.8,-18.97,;2.04,-19.88,;3.29,-18.98,;2.81,-17.51,;3.72,-16.26,;5.26,-16.26,;6.01,-14.93,;7.55,-14.93,;8.32,-16.26,;9.87,-16.26,;7.55,-17.59,;6.03,-17.59,;1.27,-17.51,;-4.53,-17.98,)|
CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](O)CC3)s2)o1 |r,wU:18.18,wD:15.14,(13.85,-15.9,;15.35,-16.31,;15.79,-14.83,;14.91,-17.79,;16.81,-16.79,;17.29,-18.25,;18.83,-18.25,;19.31,-16.79,;20.77,-16.31,;21.92,-17.34,;23.39,-16.87,;24.63,-17.78,;25.88,-16.87,;25.4,-15.41,;26.31,-14.16,;27.84,-14.16,;28.61,-15.49,;30.14,-15.48,;30.91,-14.15,;32.45,-14.15,;30.14,-12.82,;28.6,-12.82,;23.86,-15.41,;18.06,-15.88,)|
CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(N)C3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(O)C3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC3CCCCC3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC3CCNCC3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(N)s2)o1
Clc1ccc(OCc2nnc3sc(Cc4[nH]nc5[nH]c(=S)[nH]c(=S)c45)nn23)cc1
Nc1ccc(cc1)-c1nn2c(Cc3ccccc3)nnc2s1
C(Sc1nn2c(Cc3ccccc3)nnc2s1)c1ccccc1
Clc1ccc(OCc2nnc3sc(SCc4ccccc4)nn23)cc1
NNc1nn2c(Cc3ccccc3)nnc2s1
Sc1nn2c(COc3ccc(Cl)cc3)nnc2s1
Nc1ccc(cc1)-c1nn2c(COc3ccc(Cl)cc3)nnc2s1
Cc1nnc2sc(Cc3sc(N)nc3O)nn12
Nc1nc(O)c(Cc2nn3c(COc4ccc(Cl)cc4)nnc3s2)s1
CCSc1nn2c(COc3ccc(Cl)cc3)nnc2s1
CCSc1nn2c(Cc3ccccc3)nnc2s1
S=c1[nH]c2n[nH]c(Cc3nn4c(Cc5ccccc5)nnc4s3)c2c(=S)[nH]1
Cc1nnc2sc(Cc3[nH]nc4[nH]c(=S)[nH]c(=S)c34)nn12
Cc1nnc2sc(SSc3nn4c(C)nnc4s3)nn12
Sc1nn2c(Cc3ccccc3)nnc2s1
Cc1nnc2sc(SCc3ccccc3)nn12
NNc1nn2c(COc3ccc(Cl)cc3)nnc2s1
C(c1nnc2sc(SSc3nn4c(Cc5ccccc5)nnc4s3)nn12)c1ccccc1
Nc1nc(O)c(Cc2nn3c(Cc4ccccc4)nnc3s2)s1
Cc1nnc2sc(NN)nn12
CCSc1nn2c(C)nnc2s1
Cc1nnc2sc(S)nn12
Clc1ccc(OCc2nnc3sc(SSc4nn5c(COc6ccc(Cl)cc6)nnc5s4)nn23)cc1
Cc1nnc2sc(nn12)-c1ccc(N)cc1
C(Cn1ccc2ccccc12)n1ccc2ccccc12
C(Cn1ccc2ccccc12)Cn1ccc2ccccc12
C(CCn1ccc2ccccc12)Cn1ccc2ccccc12
C(CCn1ccc2ccccc12)CCn1ccc2ccccc12
C(CCCn1ccc2ccccc12)CCn1ccc2ccccc12
Fc1ccc2n(CCc3c[nH]c4ccc(F)cc34)ccc2c1
O=C(N1CCc2ccccc12)C(=O)c1c[nH]c2ccccc12
Fc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc34)c2c1
Clc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc34)c2c1
Cc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc34)c2c1
Fc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccccc12
Clc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccccc12
Cc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccccc12
Fc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccc(F)cc12
Clc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccc(Cl)cc12
Cc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccc(C)cc12
C(Cn1ccc2ccccc12)c1c[nH]c2ccccc12
Fc1ccc2[nH]cc(CCn3ccc4ccccc34)c2c1
Clc1ccc2[nH]cc(CCn3ccc4ccccc34)c2c1
Cc1ccc2[nH]cc(CCn3ccc4ccccc34)c2c1
Fc1ccc2n(CCc3c[nH]c4ccccc34)ccc2c1
Clc1ccc2n(CCc3c[nH]c4ccccc34)ccc2c1
Cc1ccc2n(CCc3c[nH]c4ccccc34)ccc2c1
Clc1ccc2n(CCc3c[nH]c4ccc(Cl)cc34)ccc2c1
Cc1ccc2n(CCc3c[nH]c4ccc(C)cc34)ccc2c1
C(CN1CCc2ccccc12)N1CCc2ccccc12
Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Cc1c(I)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ncc(F)cn1 |r|
C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ncc(F)cn1 |r|
C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1 |r|
C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r|
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
OC[C@H]1O[C@@H](Oc2cccc3c2cc2NC(=O)c4cc5OCOc5c3c24)[C@H](O)[C@@H](O)[C@@H]1O |r|
c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=O)c5ccc6cc[nH]c6c5
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2cccc(c2)C(F)(F)F)s1 |r|
N[C@H](CNc1nnc(s1)-c1ccc2[nH]nc(C3CC3)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1nnc(s1)-c1ccc2[nH]nc(-c3ccccc3)c2c1)Cc1cccc(c1)C(F)(F)F |r|
N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(F)cc1 |r|
N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(Cl)cc1 |r|
N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(Cl)cc1Cl |r|
N[C@H](CNc1nnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Cc1cc2cc(ccc2cn1)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2)s1 |r|
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2Cl)s1 |r|
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(F)c(F)c2)s1 |r|
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2)s1 |r|
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2F)s1 |r|
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2Cl)s1 |r|
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2C(F)(F)F)s1 |r|
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2cccc(Cl)c2)s1 |r|
N[C@H](CNc1ncc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1cnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1cc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CCc1cc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CCc1nc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Cn1nc(N)c2ccc(cc12)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
N[C@H](CNc1ncc(s1)-c1ccc2onc(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2nnn(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)oc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)sc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)CCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c(=O)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc(cc1)C(N)=O)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2C(=O)NCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1nnc(o1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2cnc(N)cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2cncnc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNc1ncc(s1)-c1ccc2nnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1
CCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(cc12)-c1ccccc1
CCCC(=O)Nc1n[nH]c2c(Cl)c(Cl)c(cc12)-c1ccccc1
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1
CNc1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12
Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NCCN4CCCC4)n3n2)cc1Cl
Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)cc1Cl |r|
O=C(NC[C@@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r|
Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1 |r|
CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
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
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
Oc1ccccc1C1CC(=NN1C(=O)c1ccco1)c1cccnc1 |c:10|
Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO
Nc1nc(NC2CCCC2)cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nccc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Cc1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCC1 |r|
CCc1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCCC1 |r|
Nc1nc(NC2CCCCC2)cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
CC(C)c1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCCCC1 |r|
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCNCC1 |r|
CN(C)c1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
CN1CCN(CC1)c1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCNC1 |r|
CCCCCCc1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nc(NCCN2CCOCC2)cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nccc(n1)-c1cc(ccc1O)N1CCOCC1
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)N1CCOCC1 |r|
Nc1nccc(n1)-c1cc(ccc1O)N1CCC(O)C1
Nc1nccc(n1)-c1cc(ccc1O)N1CCC(O)CC1
Nc1nccc(n1)-c1cc(ccc1O)N1CCS(=O)(=O)CC1
Nc1nccc(n1)-c1cc(ccc1O)N1CCCCC1
CCC1CCN(CC1)c1ccc(O)c(c1)-c1ccnc(N)n1
Nc1nccc(n1)-c1cc(ccc1O)N1CCC(=O)CC1
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CC1 |r|
CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
COc1cc(ccc1Nc1nccc(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(F)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(Br)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(C)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(c(n1)-c1cnc2ccccn12)C(F)(F)F)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(OC)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(C#N)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
c1ccc2c(c1)cn[nH]2
N[C@H](CNc1nnc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
N[C@H](CNC(=O)c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
O=C(NC(C1CCNCC1)c1ccccc1)c1ccc2cnccc2c1
O=C(NC(C1CCNCC1)c1ccc2ccccc2c1)c1ccc2cnccc2c1
O=C(NC(C1CCNCC1)c1nccs1)c1ccc2cnccc2c1
COc1ccc(cc1F)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
Fc1ccc(cc1F)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
Clc1ccc(cc1-c1ccccc1)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
Clc1ccc(cc1C#N)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
Clc1cccc(c1)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
Clc1ccc(cc1)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
Fc1cc(ccc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
Clc1cccc(C(NC(=O)c2ccc3cnccc3c2)C2CCNCC2)c1Cl
Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
Clc1cc(cnc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
Fc1cc2cc(ccc2cn1)C(=O)NC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCCNC1
Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNC1
Clc1ccc(cc1Cl)[C@H](NC(=O)c1ccc2cnccc2c1)C1CNC1 |r|
Clc1ccc(cc1Cl)[C@@H](NC(=O)c1ccc2cnccc2c1)C1CNC1 |r|
Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCCCC1
Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)c1cncnc1
Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)c1ccncc1
CC(C)CN1CCC(CC1)[C@@H](NC(=O)c1ccc2cnccc2c1)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@H](NC(=O)c1ccc2cnccc2c1)C1CCN(Cc2ccccc2)CC1 |r|
FC(F)(F)c1ccc(CN2CCC(CC2)[C@@H](NC(=O)c2ccc3cnccc3c2)c2ccc(Cl)c(Cl)c2)cc1 |r|
CN1CC(C1)[C@@H](NC(=O)c1ccc2cnccc2c1)c1ccc(Cl)c(Cl)c1 |r|
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O
CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3|
CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)nc1nc[nH]c21 |t:3|
Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)CN)c2)nc2nc[nH]c12
CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br
Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|
Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N
COc1ccc(nc1Cl)-c1ocnc1C(=O)NCc1ccncc1
COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(c1)C(F)(F)F
COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnnc1
COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)n1
COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCc1ccncc1
COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)c1
COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1
COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1
COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1
Clc1cc(ccc1Oc1ccccc1)-c1ocnc1C(=O)NCc1ccncc1
COc1ccc(cn1)-c1ocnc1C(=O)NCc1ccncc1
COc1ncc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
COc1ccc(cc1F)-c1ocnc1C(=O)NCc1ccncc1
COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1
COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(C)c1
COc1ccc(cc1-c1ccncc1)-c1ocnc1C(=O)NCc1ccncc1
COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccn2ccnc2c1
COc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1 |t:7|
CCOc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1 |t:8|
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(F)cc1)C2=O |t:9|
Cc1nc2c(s1)C(=O)C=C(Nc1ccccc1)C2=O |t:9|
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(Br)cc1)C2=O |t:9|
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(O)cc1)C2=O |t:9|
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(Cl)cc1)C2=O |t:9|
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9|
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(I)cc1)C2=O |t:9|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|
Oc1[nH]c2ccccc2c1C1=Nc2ccccc2C1=O |t:12|
O=C1C(Nc2ccccc12)=C1Nc2ccccc2C1=O |w:2.2|
Oc1[nH]c2ccccc2c1N=Nc1ccccc1 |w:11.13|
COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:10.10|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1 |w:9.8|
Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:9.9|
OCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Br)ccc23)cc1 |w:9.8|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12 |w:2.2|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12 |w:11.12|
Cc1c2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2ccc1[N+]([O-])=O |w:4.4|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(O)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1 |w:9.8|
Cc1cc(Cl)cc2C(C=Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:8.7|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccc(O)cc4)c23)cc1 |w:9.8|
Nc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
Cc1cccc2C(C=Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:7.6|
CCc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:11.11|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(-c4cc[nH]n4)c23)cc1 |w:9.8|
NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.11|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1 |w:13.15|
CC(=O)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)-c2cnco2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccncc2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Cl)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:11.12|
CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.10|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(I)cc23)cc1 |w:9.8|
CC(C)Oc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(F)cc23)cc1 |w:9.8|
CCOc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
NC(=O)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1 |w:9.8|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1 |w:13.15|
CN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:13.14|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccccc23)cc1 |w:9.8|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12 |w:2.2|
COc1ccc2[nH]c(O)c(N=Nc3ccccc3)c2c1 |w:11.11|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:13.15|
COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.11|
CC(C)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
CN(C)C(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:13.13|
[#6]\[#6](-[#6])=[#6]\c1cccc2-[#7]-[#6](=O)-[#6](=[#7]-[#7]-c3ccc(cc3)S([#7])(=O)=O)-c12 |w:13.13|
NS(=O)(=O)c1ccc(cc1)N=Nc1c(O)[nH]c2cccc(I)c12 |w:10.10|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(c23)[N+]([O-])=O)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccncc4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12 |w:11.12|
CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
CS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.12|
Oc1[nH]c2ccc(Br)cc2c1N=Nc1ccccc1 |w:12.14|
CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Oc4ccccc4)ccc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(Oc4ccccc4)c23)cc1 |w:9.8|
CC(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:8.8|
COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:10.10|
Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
Cc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11|
O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15|
c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(CC5)C(=O)N7CCCCC7)F
O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15|
CC(C)OC(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:12|
CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:11|
CN(C)C[C@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O
CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
O=C1NC2C=CC=CC2C1=CNc1ccc(cc1)S(=O)(=O)Nc1nccs1 |w:10.12,c:4,6|
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
NS(=O)(=O)c1ccc(cc1)\N=N\c1c(O)[nH]c2cccc(I)c12
NC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2CCCc12
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(cc12)-c1cnco1 |w:2.2|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)-c1cnco1 |w:11.12|
Cc1cc2C(C=Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1 |w:5.4|
CC(C)(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:9.9|
NS(=O)(=O)c1ccc(cc1)N=Cc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]cc23)[nH]c1=O |w:11.12|
CC(C)(CO)CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:17.17|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCCn2ccnc2)cc1 |w:9.8|
CC(C)CC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:14.13|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(O)(=O)=O)cc1 |w:9.8|
CCOC(=O)c1cccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c12 |w:14.13|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(C=Cc4ccc(O)cc4)c23)cc1 |w:19.18,9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(OCCc4ccncc4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]c(Cl)c23)[nH]c1=O |w:11.12|
CC(C)COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:15.14|
COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]
CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCCO)nc12
COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O
Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O
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
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
COc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc23)cc1 |w:10.9|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]
COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]
COc1cccc2c1c(OC)c([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
COc1cc(OC)c2cc([N+]([O-])=O)c3c(cc4OCOc4c3c2c1)C(O)=O
OC(=O)c1cc2OCOc2c2c3cc(O)ccc3cc([N+]([O-])=O)c12
COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O
COc1cc(O)cc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
OC(=O)c1cc2OCOc2c2c3cccc(O)c3cc([N+]([O-])=O)c12
COc1ccc2cc([N+]([O-])=O)c3c(cc4OCOc4c3c2c1)C(O)=O
OC(=O)c1cc(O)c(O)c2c1c(cc1ccccc21)[N+]([O-])=O
OC(=O)c1cc(O)c(O)c2c1c(c(Cl)c1ccccc21)[N+]([O-])=O
COc1cccc2c1cc([N+]([O-])=O)c1c(cc(O)c(O)c21)C(O)=O
OC(=O)c1cc(O)c(O)c2c1c(cc1c(O)cccc21)[N+]([O-])=O
COc1cccc2c1c(Cl)c([N+]([O-])=O)c1c(cc(O)c(O)c21)C(O)=O
c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5
COc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
COc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1OC
COc1cc(OC)c2cc3NC(=O)c4cc5OCOc5c(c34)c2c1
COc1c(O)ccc2c1cc1NC(=O)c3cc4OCOc4c2c13
COc1cc(O)cc2c1cc1NC(=O)c3cc4OCOc4c2c13
Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
Oc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1O
Oc1cc(O)c2cc3NC(=O)c4cc5OCOc5c(c34)c2c1
Oc1ccc2cc3NC(=O)c4cc5OCOc5c(c34)c2c1
COc1cccc2c1cc1N(C)C(=O)c3cc4OCOc4c2c13
CN1C(=O)c2cc3OCOc3c3c2c1cc1c(O)cccc31
Oc1cc2C(=O)Nc3cc4ccccc4c(c1O)c23
Oc1cc2C(=O)Nc3c(Cl)c4ccccc4c(c1O)c23
COc1cccc2c1cc1NC(=O)c3cc(O)c(O)c2c13
Oc1cc2C(=O)Nc3cc4c(O)cccc4c(c1O)c23
COc1cccc2c1c(Cl)c1NC(=O)c3cc(O)c(O)c2c13
COc1cc2C[C@@H]3N(C)CCc4cc5OCOc5c(-c2cc1OC)c34 |r|
COc1ccc-2c(C[C@@H]3N(C)CCc4cc5OCOc5c-2c34)c1OC
CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23 |r|
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O |r|
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC |r|
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1O |r|
COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O |r,c:23,t:2|
COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O |r,t:2,TLB:20:19:7.15.6:4|
COc1cccc-2c1C[C@H]1N(C)CCc3cc4OCOc4c-2c13 |r|
COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
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|
NC(=O)Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
NC(=O)c1nn(CC2CCNCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(=O)NCc2ccnc(C)c2)cc1
CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1
O=C1NCCc2[nH]c(cc12)-c1ccncc1
Oc1[nH]c2ccc(cc2c1C1=Nc2ccccc2C1=O)S(O)(=O)=O |t:12|
CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccnc1)C(F)(F)F
C1c2ccccc2-c2[nH]nc(c12)-c1ccncc1
Cc1ccc(F)c(Nc2nccc(n2)-c2ccc(cc2)S(N)(=O)=O)c1
CCCCOc1c(ccc2[nH]ncc12)C(=O)c1c(F)cc(C)cc1F
C1(=C(N=C(NC1=O)N)N)N=O
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCc2ccccc2)c1N=O
Nc1nc2ccc(cc2n1Cc1c(F)cccc1F)C(=O)c1c(F)cccc1Cl
COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12
CN(C)CCNS(=O)(=O)c1ccc(Nc2cccc(c2)-c2cnc3ccccn23)cc1
O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl
CCNc1cc(N[C@@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,7.6,(34.48,6.65,;34.48,5.11,;33.15,4.34,;33.15,2.8,;34.49,2.03,;34.49,.48,;35.82,-.28,;35.83,-1.82,;34.49,-2.59,;34.49,-4.12,;35.81,-4.9,;35.81,-6.44,;37.15,-4.13,;37.15,-2.59,;33.16,-.28,;31.82,.48,;30.48,-.28,;29.15,.49,;27.83,-.28,;26.49,.48,;26.49,2.03,;25.36,3.06,;23.82,3.07,;23.05,4.4,;23.83,5.74,;23.06,7.07,;21.52,7.07,;20.75,5.74,;21.52,4.41,;25.99,4.47,;27.52,4.3,;27.83,2.79,;29.16,2.03,;31.82,2.03,)|
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F
COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
[#6]-[#8]-[#6](=O)[C@@]1([#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](=O)-[#6]1-c1ccc(-[#8])cc1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Oc1ccccc1Cl)cc2=O |r|
NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(=O)(=O)NCCOCCO)c2c1 |w:11.11|
CC(C)(C)Nc1nc(nc2ccc(Nc3ccccc3)cc12)C(F)(F)F
Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO
COc1cc(F)ccc1-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
COc1ccc(F)cc1-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCC3CCNCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(OCC3CCNCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(C)=O)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C(C)C)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C(C)(C)C)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3(CN)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CC(O)C3)c2[nH]1 |(36.6,-30.43,;35.82,-29.1,;34.28,-29.11,;33.52,-30.45,;31.98,-30.46,;31.2,-29.13,;31.96,-27.8,;33.49,-27.78,;29.66,-29.14,;28.76,-30.39,;27.29,-29.92,;25.95,-30.7,;24.62,-29.93,;24.62,-28.39,;23.29,-27.62,;25.95,-27.62,;25.95,-26.08,;27.28,-25.3,;27.27,-23.76,;28.61,-23,;28.61,-21.46,;29.95,-20.69,;31.28,-21.46,;29.95,-19.15,;31.04,-18.07,;29.95,-16.98,;29.96,-15.44,;28.86,-18.06,;27.29,-28.38,;28.75,-27.9,)|
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)c3ccccc3)c2[nH]1
Nc1cccc(c1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
Brc1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1
NC(=O)c1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1
COc1ccc(cc1)-c1nc2ncc(C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1
COc1ccccc1-c1nc2ncc(Br)c(NCC(O)CNC(=O)C3CCC3)c2[nH]1
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)C3CCNCC3)c2)nc2nc[nH]c12
COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12
COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12
COc1cc(ccc1N)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
Fc1ccc(cn1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
O=C(Nc1cccc(Nc2nc(-c3ccc4OCOc4c3)c3[nH]cnc3n2)c1)N1CCCC1
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
CN1CCN(Cc2cccc(c2)-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)CC1
COc1ccc(cc1OC)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12
CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
C1OCc2cccc(Nc3nccc(n3)-c3cncc(COC\C=C\1)c3)c2 |t:24|
CN1C\C=C\COCc2ccc(o2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
C1OCc2ccc(o2)-c2ccnc(Nc3cccc(COC\C=C\1)c3)n2 |t:23|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc4ccn(C\C=C\COCc1c2)c4c3 |t:29|
Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\Cn4ccc5ccc(cc45)-c1n2)c3 |t:23|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cncc(COC\C=C\COCc1c2)c3 |t:29|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccnc(OCC\C=C\COCc1c2)c3 |t:29|
Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\CCOc4cc(ccn4)-c1n2)c3 |t:23|
CN1C\C=C\COCc2ccc(o2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:3|
CN1C\C=C\COCc2ccc(s2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:3|
COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3 |t:24|
COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)s3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3coc(COC\C=C\COCc1c2)c3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cc(COC\C=C\COCc1c2)co3 |t:27|
CN1C\C=C\CCOc2cc(ccn2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CN1C\C=C\COCC2CCCN(C2)c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CN1C\C=C\CCn2ccc3ccc(cc23)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
C1OCc2cccc(Nc3nccc(n3)-c3ccc4ccn(C\C=C\1)c4c3)c2 |t:24|
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F
C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(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|
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|
CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12
CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2[nH]cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2n(CCC(O)=O)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)[nH]nc2C1(C)C)c1ccccc1 |r|
CCN(CC)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
Cc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2C3CCC2COC3)c1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CC3CCC(C2)O3)c1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCCCC2)c1
Clc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(NCCCO)c2)c1
CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC
CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1C
CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)n1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N(C)C)n1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)NC)n1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
CCOc1ccc(Nc2c(C)c(N[C@@H]3CCCNC3)nc3ccnn23)cc1 |r|
CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl |r,wU:5.4,wD:8.8,(75.96,-83,;75.95,-84.54,;74.62,-85.31,;74.62,-86.85,;75.95,-87.62,;77.28,-86.85,;77.28,-85.32,;78.63,-84.56,;79.96,-85.34,;81.3,-84.57,;79.95,-86.88,;78.62,-87.64,;73.29,-87.61,;71.96,-86.85,;70.49,-87.33,;69.58,-86.08,;70.49,-84.82,;71.96,-85.3,;73.29,-84.53,;73.29,-82.99,;71.96,-82.22,;70.64,-82.98,;69.3,-82.22,;69.3,-80.67,;70.64,-79.9,;71.97,-80.67,;73.31,-79.91,)|
Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl |r,wU:4.3,wD:7.7,(60.32,-84.65,;58.98,-85.42,;58.98,-86.96,;60.31,-87.73,;61.65,-86.96,;61.65,-85.43,;62.99,-84.67,;64.32,-85.44,;65.66,-84.68,;64.31,-86.98,;62.98,-87.75,;57.65,-87.72,;56.32,-86.96,;54.85,-87.44,;53.94,-86.18,;54.85,-84.93,;56.32,-85.41,;57.65,-84.64,;57.65,-83.1,;56.32,-82.33,;55,-83.09,;53.67,-82.32,;53.67,-80.78,;55,-80.01,;56.33,-80.78,;57.67,-80.02,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccccc2Cl)n2nccc2n1 |r,wU:4.7,wD:1.0,(49.15,-85.52,;47.81,-86.29,;46.48,-85.51,;45.14,-86.27,;45.14,-87.8,;46.47,-88.59,;47.8,-87.83,;43.8,-88.57,;42.47,-87.8,;42.47,-86.26,;41.14,-85.48,;41.15,-83.94,;39.82,-83.17,;38.49,-83.93,;37.16,-83.17,;37.16,-81.62,;38.5,-80.85,;39.83,-81.63,;41.16,-80.86,;39.81,-86.25,;38.34,-85.77,;37.43,-87.03,;38.34,-88.28,;39.81,-87.8,;41.14,-88.56,)|
Cc1nc2ccc(Nc3c(C)c(N[C@H]4CCCNC4)nc4ccnn34)cc2s1 |r|
Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc2n(C)ncc2c1 |r|
CC(=O)c1ccc(s1)-c1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r|
Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(cc1)C(=O)NC1CCCC1 |r|
Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(OCCN2CCOCC2)cc1 |r|
COCCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r|
CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C
CCc1c(NC2CCCNC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1
Cc1c(NC2CCCNC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1
Fc1ccc(Nc2cc(NC3CCCNC3)nc3ccnn23)cc1Cl
N[C@H]1CC[C@@H](CC1)Nc1nc2ccnn2c(Nc2ccc(F)c(Cl)c2)c1-c1ccccc1 |r,wU:4.7,wD:1.0,(9.17,-48.98,;9.17,-47.44,;10.51,-46.67,;10.51,-45.12,;9.18,-44.36,;7.84,-45.13,;7.84,-46.67,;9.17,-42.82,;7.84,-42.06,;6.51,-42.82,;5.18,-42.06,;3.71,-42.53,;2.8,-41.28,;3.71,-40.03,;5.18,-40.51,;6.51,-39.74,;6.52,-38.2,;5.19,-37.42,;5.2,-35.89,;3.87,-35.11,;2.53,-35.88,;1.2,-35.11,;2.53,-37.43,;1.2,-38.2,;3.86,-38.19,;7.84,-40.52,;9.18,-39.75,;10.5,-40.53,;11.84,-39.77,;11.84,-38.22,;10.5,-37.45,;9.17,-38.22,)|
CCCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:6.5,wD:9.9,(41.91,-26.84,;40.57,-27.61,;40.57,-29.15,;39.23,-29.91,;39.23,-31.45,;40.57,-32.23,;41.9,-31.46,;41.9,-29.93,;43.24,-29.16,;44.58,-29.94,;45.91,-29.18,;44.57,-31.48,;43.23,-32.24,;37.91,-32.22,;36.58,-31.45,;35.1,-31.93,;34.19,-30.68,;35.1,-29.43,;36.58,-29.91,;37.91,-29.14,;37.91,-27.6,;36.58,-26.82,;36.59,-25.29,;35.26,-24.51,;33.92,-25.28,;32.59,-24.51,;33.92,-26.83,;32.59,-27.6,;35.25,-27.59,)|
CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:5.4,wD:8.8,(24.02,-27.62,;24.01,-29.16,;22.68,-29.93,;22.68,-31.47,;24.01,-32.24,;25.34,-31.47,;25.34,-29.94,;26.68,-29.18,;28.02,-29.95,;29.35,-29.19,;28.01,-31.5,;26.68,-32.26,;21.35,-32.23,;20.02,-31.47,;18.54,-31.95,;17.63,-30.7,;18.54,-29.44,;20.02,-29.92,;21.35,-29.15,;21.35,-27.61,;20.02,-26.84,;20.03,-25.3,;18.7,-24.53,;17.36,-25.3,;16.03,-24.52,;17.36,-26.84,;16.03,-27.61,;18.69,-27.61,)|
Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:4.3,wD:7.7,(7.52,-28.97,;6.19,-29.74,;6.19,-31.28,;7.52,-32.05,;8.85,-31.28,;8.85,-29.75,;10.2,-28.98,;11.53,-29.76,;12.87,-29,;11.52,-31.3,;10.19,-32.06,;4.86,-32.04,;3.53,-31.28,;2.06,-31.75,;1.15,-30.5,;2.06,-29.25,;3.53,-29.73,;4.86,-28.96,;4.86,-27.42,;6.2,-26.65,;6.19,-25.12,;7.52,-24.35,;8.86,-25.12,;10.2,-24.35,;8.86,-26.66,;10.19,-27.44,;7.52,-27.43,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(Br)c2n1 |r,wU:4.7,wD:1.0,(44.37,-17.79,;43.03,-18.55,;41.7,-17.78,;40.35,-18.54,;40.35,-20.07,;41.69,-20.85,;43.02,-20.09,;39.02,-20.84,;37.69,-20.07,;37.69,-18.53,;36.36,-17.75,;36.36,-16.21,;37.7,-15.44,;37.69,-13.91,;39.02,-13.14,;40.36,-13.91,;41.7,-13.14,;40.36,-15.45,;41.69,-16.23,;39.02,-16.22,;35.03,-18.52,;33.56,-18.04,;32.65,-19.29,;33.56,-20.55,;33.08,-22.01,;35.03,-20.07,;36.36,-20.83,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(Cl)c2n1 |r,wU:4.7,wD:1.0,(29.14,-17.97,;27.81,-18.73,;26.47,-17.96,;25.13,-18.72,;25.13,-20.25,;26.47,-21.03,;27.8,-20.27,;23.8,-21.02,;22.47,-20.25,;22.47,-18.71,;21.14,-17.93,;21.14,-16.39,;22.48,-15.62,;22.47,-14.09,;23.8,-13.32,;25.14,-14.09,;26.48,-13.32,;25.14,-15.63,;26.47,-16.41,;23.8,-16.4,;19.81,-18.7,;18.33,-18.22,;17.42,-19.47,;18.33,-20.72,;17.86,-22.19,;19.81,-20.25,;21.14,-21.01,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(C#N)c2n1 |r,wU:4.7,wD:1.0,(14.04,-16.11,;12.7,-16.87,;11.37,-16.1,;10.03,-16.86,;10.03,-18.39,;11.36,-19.17,;12.69,-18.41,;8.69,-19.16,;7.36,-18.39,;7.36,-16.85,;6.03,-16.07,;6.04,-14.53,;7.37,-13.76,;7.37,-12.23,;8.7,-11.46,;10.04,-12.23,;11.37,-11.46,;10.03,-13.77,;11.36,-14.55,;8.7,-14.54,;4.7,-16.84,;3.23,-16.36,;2.32,-17.61,;3.23,-18.87,;2.76,-20.34,;2.28,-21.8,;4.7,-18.39,;6.03,-19.15,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)|
Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6
[H][C@]12C[C@@H](C)N(C1)CCn1nc3c(cccc3c1O)-c1nc3c(O2)cccc3nc1O
Brc1cnc(Nc2ccccc2)nc1NCC#N
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5
Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
CS(=O)(=O)Nc1cccc(c1)-c1c[nH]c(=O)c2cc(sc12)-c1ccnc2[nH]ccc12
O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1cn[nH]c1
Cn1cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc2c1=O)-c1ccncc1
Fc1ccc(cc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1)C#N
O=c1[nH]cc(-c2ccc3OCCOc3c2)c2sc(cc12)-c1ccncc1
O=c1[nH]cc(-c2cccc(CC#N)c2)c2sc(cc12)-c1ccncc1
Clc1cccc(n1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
CCOc1ccc(cn1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
CN(C)C(=O)c1ccccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
O=c1[nH]cc(-c2cccc3cccnc23)c2sc(cc12)-c1ccncc1
O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1ccncc1
COCc1ccccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
COc1ncc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1ccncc1
O=c1[nH]cc(-c2cscc2C#N)c2sc(cc12)-c1ccncc1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12 |t:4|
CN1CCC(C1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13|
Cc1n[nH]c2Nc3ccc(N)cc3C(=Nc12)c1ccccc1Cl |c:14|
FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Nc1cc(ncn1)-n1ccc2ccc(nc12)C#N
Nc1nccc(n1)-n1cc(-c2cccnc2Cl)c2cnc(Cl)cc12
Nc1nccc(n1)-n1cc(-c2cccnc2Cl)c2cnccc12
Nc1nccc(n1)-n1cc(-c2ccc(Cl)cc2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2cccc(Cl)c2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2ccccc2Cl)c2cnccc12
Nc1nccc(n1)-n1cc(C2=CCOCC2)c2cnccc12 |t:11|
Nc1nccc(n1)-n1cc(-c2ccoc2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2cc[nH]n2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2ccncc2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2cccnc2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2ccccc2)c2cnccc12
Nc1nccc(n1)-n1ccc2ncc(cc12)C#N
Nc1nccc(n1)-n1ccc2cnc(Cl)cc12
Nc1nccc(n1)-n1ccc2cnc(cc12)C#N
Nc1nccc(n1)-n1ccc2ncccc12
Nc1nccc(n1)-n1ccc2cnccc12
Nc1nccc(n1)-n1ccc2ccncc12
Nc1nccc(n1)-n1ccc2cccnc12
Nc1nccc(n1)-n1ccc2cc(ccc12)C#N
Nc1nccc(n1)-n1ccc2ccc(cc12)C#C
Nc1nccc(n1)-n1ccc2ccc(O)cc12
Nc1nccc(n1)-n1ccc2ccc(cc12)C(F)(F)F
Nc1nccc(n1)-n1ccc2ccc(cc12)[N+]([O-])=O
Nc1nccc(n1)-n1ccc2ccc(Br)cc12
Nc1nccc(n1)-n1ccc2ccc(Cl)cc12
Nc1nccc(n1)-n1ccc2ccc(F)cc12
Nc1nccc(n1)-n1ccc2ccccc12
N#Cc1ccc2ccn(-c3ccncn3)c2c1
Nc1ccnc(n1)-n1ccc2ccc(cc12)C#N
Nc1cc(ncn1)-n1ccc2ccc(cc12)C#N
Nc1cc(ccn1)-n1ccc2ccc(cc12)C#N
Nc1cccc(n1)-n1ccc2ccc(cc12)C#N
CNc1nccc(n1)-n1ccc2ccc(cc12)C#N
Nc1nccc(n1)-n1ccc2ccc(cc12)C#N
CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccs1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(CCc3ccc(Cl)cc3)ccc2n1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(Cl)c1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(CO)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(N)=O)c2cc(ccc2n1)-c1cccs1 |r|
CN(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r|
CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r|
CCC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)NS(C)(=O)=O)c2cc(ccc2n1)-c1cccs1 |r|
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r|
COC(=O)[C@H](Cc1cccc(O)c1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
CCCCCCc1ccc2nc(cc(C(O)=O)c2c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC |r|
OC(=O)c1cc(nc2ccc(cc12)-c1cccs1)C(=O)NCCc1ccc(O)cc1
COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r|
COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccc(Cl)cc1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccccc1Cl |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cc(Cl)cc(Cl)c1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)N1CCOCC1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccccc1 |r|
Cc1nn(-c2ccc(Cl)cc2Cl)c2c1c1C(=O)NC(=O)c1c1cccn21
COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(=O)NCC(C)C)c(NCCCNC(=O)C3CCCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(-c3csc(c3)C(O)=O)c(OCCCNC(=O)C3CCCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(OCCCNC(=O)C3CCCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)C
COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCCC(C)C
COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC
COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)C
CCC(C)CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1
COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)CO
COCCNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1
COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(O)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(C)=O
COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(N)=O
Fc1cccc(CNC(=O)CC2CNC(=O)c3cc(cn23)-c2cn[nH]c2)c1
c1cc(c(cc1[C@@H](CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F
OC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(F)c1 |r|
OC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
C[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc2cc[nH]c2c1 |r|
C[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(F)c1 |r|
CC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(C#N)c(Cl)c1 |r|
C[C@@H](NC(=O)N1CCc2cnc(N[C@H]3CCO[C@@H](CO)C3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 |r|
CC[C@@H](NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(F)c(F)c1 |r|
CC[C@@H](NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](C)c1ccc(c(F)c1)C(F)(F)F |r|
CC[C@@H](NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(OC)c(Cl)c1 |r|
C[C@@H](NC(=O)N1CCc2cnc(Nc3ccnc(C)c3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
C[C@@H](NC(=O)N1CCc2cnc(Nc3cn[nH]c3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
C[C@@H](NC(=O)N1CCc2cnc(Nc3ccn[nH]3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O
COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
COC1CCN(CC1)c1nccc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)n1
COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1
COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)n1
COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(cc3cn2)-c2cn[nH]c2)n1
COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C(C)C)n1
COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3
COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
COC1CCN(CC1)c1nccc(Nc2cc3n(nc(N)c3cn2)C(C)C)n1
COC1CCN(CC1)c1nccc(Nc2cc3c(n[nH]c3cn2)C(C)C)n1
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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(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,)|
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,)|
[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,)|
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,)|
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,)|
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,)|
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,)|
[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,)|
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,)|
COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(C)CC1
CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3cnccc23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3ccccc23)cc1
COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1cc(ncn1)-c1cn(C)c2cnccc12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(C)CC1
COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1
COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnc(C)cc12)N1CCN(C)CC1
COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1
COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2c(C)nccc12)N1CCN(C)CC1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3cnccc23)cc1
O=C(NC1CCCC1)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12
CS(=O)(=O)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12
Cn1cc(-c2ccnc(n2)-c2ccc(cc2)S(C)(=O)=O)c2ccncc12
Cc1nccc2c(c[nH]c12)-c1ccnc(n1)-c1ccc(cc1)S(C)(=O)=O
C(=C/c1nccc(n1)-c1c[nH]c2cnccc12)\c1ccccc1
Cc1nccc(n1)-c1c[nH]c2cnccc12
Cc1nccc(n1)-c1cn(Cc2ccccc2)c2cnccc12
c1cc2c(ccnc2[nH]1)-c1c[nH]c2cnccc12
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
OC(=O)c1nc2ccccc2c2[nH]c3ccccc3c12
CC(C)(C)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1
OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)C(F)(F)F
OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)[N+]([O-])=O
Cc1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1
OC(=O)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1
OC(=O)c1nc2ccc(I)cc2c2[nH]c3ccc(Cl)cc3c12
OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O
COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
COc1ccc2c3[nH]c4c(F)cccc4c3c(nc2c1)C(O)=O
COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O
OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(F)cccc3c12
c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl
c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br
COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
COc1ccc(cc1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12
OC(=O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12
COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O
COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O
COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O
O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Brc1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CSc1ccc(\C=N\c2cc(ccc2O)[N+]([O-])=O)cc1
CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
[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,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(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,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;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,)|
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,)|
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O
CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(C)n1
Cc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1
CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Cc1c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cnn1C1CCNCC1
CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1
CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
CCc1c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cnn1C1CCN(CC1)C(C)=O
C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1
COc1nc(N)nc2nc[nH]c12
CC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C=O |r|
CCC(C)Oc1nc(N)nc2[nH]cnc12
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4