1167 SMILES Strings for DNA (cytosine-5)-methyltransferase 1

Compound Name
SMILES String
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
O=C(N1CCOCC1)c1ccc(=O)oc1
CN(C)CCOc1nc(nc2c3ccccc3oc12)-c1ccccc1
CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Clc1ccc(cc1)C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1
O=C(Oc1ccc(cc1)-c1nc(no1)-c1ccccn1)c1ccccc1
O=C1CC(=O)N(Cc2ccco2)C(=O)N1
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
Cc1cccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)c1C
O=C1CCCC2=C1C(Nc1ccc3ccccc3c21)c1ccco1 |c:5|
Oc1cccc2cc3cccc(O)c3c(O)c12
CCCCCCCCc1nnc(NC(=O)c2ccco2)s1
OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15|
CCN(CC)CCNc1nc2cc(OC)c(OC)cc2c2nc(nn12)-c1ccccc1
CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(nn12)-c1cccnc1
CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
CCN(CC)CCOc1ccc-2c(c1)C(N=O)c1cc(OCCN(CC)CC)ccc-21
CC(C)(C)CC(=O)Nc1cccc2CCCCc12
CCOC(=O)C(NC(=O)CC(C)C)(Nc1sc2CCCCc2c1C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1)C(O)=O |w:11.11|
COC(=O)C(C(C)=O)=C(C=C\C=C\C=C\N(C)C)N(C)C |w:8.17,9.8|
Cc1oc-2c(c1C(=O)c1ccc(Cl)cc1)C(=O)C(=O)c1ccccc-21
CCN(CC)CCn1c2ccccc2c2cnc(N)c(C#N)c12
CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO
Cc1ccc(cc1)C1C(C=C2SC(S)=NC2=O)=C(Oc2ccccc12)c1cccs1 |w:9.9,c:14,18,(11.05,-6.19,;11.05,-4.65,;9.72,-3.88,;9.72,-2.34,;11.05,-1.57,;12.38,-2.34,;12.38,-3.88,;11.05,-.03,;9.72,.74,;8.38,-.03,;7.05,.74,;5.64,.11,;4.61,1.26,;3.08,1.1,;5.38,2.59,;6.89,2.27,;8.03,3.3,;9.72,2.28,;11.05,3.05,;12.38,2.28,;13.76,3.1,;15.16,2.31,;15.16,.71,;13.76,-.08,;12.38,.74,;9.72,3.82,;10.96,4.73,;10.49,6.19,;8.95,6.19,;8.47,4.73,)|
[O-][N+](=O)c1ccc(cc1)C(=O)NCC(=O)N\N=C\c1ccc(OC(=O)c2ccccc2)cc1
CC1=C(C#N)C(=O)NC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCC=C |c:1|
OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
CCc1ccc(cc1)C(C)=NNC(=O)CNC(=O)C=Cc1ccco1 |w:10.11,18.18|
CC(C)N1C(=O)N(Cc2ccco2)C(=O)\C(=C/C=C/c2ccco2)C1=O
Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1
Fc1ccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
Fc1cccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(cc3)C(C)C)cc2)s1 |w:21.21|
NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O |w:6.6,8.7,14.21,c:16,20|
Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1
COc1ccc(C=c2c(=CSc3ccc(Cl)cc3)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 |w:9.9|
Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
Brc1ccc(C=CC(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1 |w:5.4|
O=C1NN(C(=O)\C1=C\c1ccc(Sc2cccc3ccccc23)o1)c1ccccc1
Cc1ccc(cc1Cl)-n1cccc1\C=C1\C(=N)N2C(SN=C2S(C)(=O)=O)=NC1=O |c:22,28|
Oc1ccc(cc1)C(=O)N\N=C\c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1
CCOC(=O)Cc1csc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)n1
Cc1ccccc1NC(=O)CSc1ccsc1[N+]([O-])=O
Fc1ccc(NNC2=c3ccccc3=NC2=O)cc1 |c:7,14|
O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(C)cc2)c(C)n1-c1sc2CCCCc2c1C#N |w:4.3,(10.07,3.1,;10.55,1.64,;12.01,1.16,;12.01,-.38,;13.26,-1.28,;14.67,-.66,;14.83,.87,;13.58,1.78,;16.23,1.5,;17.48,.59,;18.89,1.22,;17.32,-.94,;15.91,-1.56,;15.75,-3.09,;18.56,-1.84,;18.4,-3.37,;19.65,-4.28,;21.06,-3.65,;22.3,-4.56,;21.22,-2.12,;19.97,-1.22,;10.55,-.86,;10.07,-2.32,;9.64,.39,;8.1,.39,;7.2,-.85,;5.75,-.38,;4.41,-1.15,;3.08,-.38,;3.08,1.16,;4.41,1.93,;5.75,1.16,;7.2,1.63,;7.68,3.09,;8.16,4.56,)|
CCCCN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Cl)cc2)c(C)n1-c1sc2CCCCc2c1C#N |w:4.3,(10.07,3.1,;10.55,1.64,;12.01,1.16,;12.01,-.38,;13.26,-1.28,;14.67,-.66,;14.83,.87,;13.58,1.78,;16.23,1.5,;17.48,.59,;18.89,1.22,;17.32,-.94,;15.91,-1.56,;15.75,-3.09,;18.56,-1.84,;18.4,-3.37,;19.65,-4.28,;21.06,-3.65,;22.3,-4.56,;21.22,-2.12,;19.97,-1.22,;10.55,-.86,;10.07,-2.32,;9.64,.39,;8.1,.39,;7.2,-.85,;5.75,-.38,;4.41,-1.15,;3.08,-.38,;3.08,1.16,;4.41,1.93,;5.75,1.16,;7.2,1.63,;7.68,3.09,;8.16,4.56,)|
CC1=C\C(=C/c2ccc(Br)o2)C(=O)O1 |t:1|
Cc1cc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(c1)C(O)=O
CC(CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 |c:15|
Fc1ccc(NC(=O)COC(=O)c2cc3CCCc3s2)cc1
COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1
CN(c1ccccc1)c1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1 |c:19|
CCN(CC)CCn1nc2-c3ccccc3-c3cccc(c23)c1=O
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)ncn1 |w:19.18|
CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Cc1ccc(cc1)C(=O)N[n+]1cc(O)[c-](c1N)-c1nc(cs1)-c1cccc(c1)[N+]([O-])=O
CC1(C)CC(CC(C)(C)N1)\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1
OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:14.15|
OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccccc2F)cc1 |c:19|
COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
[#8]-c1ccc(cc1)-n1cccc1\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O
COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)sc2CCCCCc12
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc3OCOc3c2)c(C)n1-c1cccc(C(O)=O)c1C |w:4.3,(10.19,2.75,;10.82,1.34,;12.32,1.02,;12.48,-.51,;13.82,-1.28,;15.15,-.51,;15.15,1.03,;13.82,1.8,;16.48,1.8,;17.82,1.03,;19.15,1.8,;17.82,-.51,;16.48,-1.28,;16.48,-2.82,;19.15,-1.28,;19.15,-2.82,;20.49,-3.59,;21.82,-2.82,;23.28,-3.29,;24.18,-2.05,;23.28,-.81,;21.82,-1.28,;20.49,-.51,;11.08,-1.13,;10.76,-2.64,;10.05,.01,;8.51,-.15,;7.89,-1.56,;6.36,-1.72,;5.45,-.47,;6.08,.93,;5.17,2.18,;3.64,2.02,;5.8,3.59,;7.61,1.1,;8.24,2.5,)|
Cc1ccccc1NC(=O)CN1C(=O)N\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O
OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1
OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)cc2)o1
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=S)NC1=O |w:13.14|
CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(SCc3ccco3)o1)C2=N |w:14.15,c:10,t:5|
Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)c1ccc(COc3cccc(Cl)c3Cl)o1)C2=O)C(O)=O |t:5|
Cc1ccc2cc3c(N)c4c(C)ccc(C)c4nc3nc2c1
Cn1c(=O)[nH]c([O-])c([CH+]c2ccc(o2)[N+]([O-])=O)c1=O
COc1ccc(CN2C(=O)NC(=O)\C(=C/c3ccco3)C2=O)cc1
Cc1ccc(NC(=O)CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1
Cc1ccc(c(C)c1)-n1nc(cc1C(O)=O)-c1ccco1
OC(=O)CCCCCN1C(=S)S\C(=C\c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
OC(=O)Cc1c[nH]c2cccc(O)c12
Nc1cc(cc(c1O)[N+]([O-])=O)S(O)(=O)=O
CC=CC=CC(=O)C1[C@@H]2[C@@H]([C@@H](C(=O)C=CC=CC)[C@](C)(C1=O)C(=O)C2(C)O)[C@]1(C)OC(=O)C(C)C1=O |w:13.12,4.4,16.16,1.0,TLB:23:22:9.10:7.20,5:7:9.10:24.22,27:9:24.22:7.20,THB:26:24:9.10:7.20,25:24:9.10:7.20,21:20:9.10:24.22,11:10:24.22:7.20|
OC(=O)c1ccccc1\C=N\NC(=O)c1cc(nc2ccccc12)-c1ccco1
COc1ccc(cc1)-c1csc(NC(=O)CSc2nc(C)nc3sc(C(O)=O)c(C)c23)n1
O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|
CC[N+](C)(CC)CCCCOc1ccc2-c3ccc(OCCCC[N+](C)(CC)CC)cc3C(=O)c2c1
C\C=C(/C)C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:16|
C\C=C\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCc1ccco1
OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
CCN(CC)CCC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12
N=C1N2N=C(SC2=NC(=O)\C1=C/c1coc2ccccc2c1=O)c1ccco1 |c:3,7|
NS(=O)(=O)c1ccc(NN=C2C=CC(=O)NC2=O)cc1 |w:9.8,c:11|
CCOC(=O)c1cc(nn1-c1ccccc1C(O)=O)-c1ccc(cc1)N1CCOCC1
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1
CC\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:16|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C(C)=C)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)COc2ccc(Cl)cc2)C(N)=O)C1 |t:13|
CCC(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:14|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C2(C)CC2)C(N)=O)C1 |t:13|
OC(=O)c1ccc(cc1)-n1cccc1\C=N/NC(=O)c1cc2cc(Br)ccc2o1
OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccccc1 |w:14.15|
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccoc2)C1=O |w:14.15|
Cn1cccc1\C=C1\C(=O)NC(=S)N(Cc2ccc(F)cc2)C1=O
Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5|
CCOC(=O)C1=C(C)N=c2s\c(=C\c3ccc(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
CC(C)COc1ccc(cc1)-c1nn(cc1\C=C1\SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:16.17|
OC(=O)C1Nc2c(Cl)cc(Cl)c(Cl)c2C2C=CCC12 |c:16|
OC(=O)c1ccc(cc1)-c1ccc(\C=C2/C(=O)NN(C2=O)c2ccccc2)o1
COc1ccccc1N1CC[N+](N[CH-]c2ccc(Cl)c(c2)[N+]([O-])=O)=CC1 |c:25|
CN(C)CCc1cc2OCOc2c2c1ccc1ccccc21
Cc1cc[n+](CC(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc12
O=C1NC(=S)N(C(=O)C1=Cc1ccco1)c1ccccc1 |w:9.10|
COc1ccc(cc1)-c1nn(cc1\C=C1\SC(=S)N(CCC(O)=O)C1=O)-c1ccccc1
COc1ccc2nc(C)cc(Nc3ccc(cc3)N3CCN(C)CC3)c2c1
CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
OC(=O)CN1C(=S)S\C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O
CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c(C)c1
OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2ccc(Br)cc2)C1=O)c1ccccc1
OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2ccccc2Cl)C1=O)c1ccccc1
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|
[O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccc(Br)cc4s3)sc12
Oc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2[N+]([O-])=O)[nH+]1
OC(=O)CN1C(=S)S\C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)C1=O
OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
CCOc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(Br)cc1
CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O
COc1ccc(cc1CSCC(O)=O)C(=O)\C=C\c1ccc(cc1)-c1ccccc1
CC(=NNC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|
Oc1cc(O)cc(c1)C(=O)N\N=C\c1cn(Cc2cccc(F)c2)c2ccccc12
Oc1cc(O)cc(c1)C(=O)N\N=C\c1ccoc1
OC(=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)o1
Brc1ccc(cc1)-c1csc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)n1
O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O |c:16,23|
Oc1cc(O)cc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccc(OCC)cc1
Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Fc1ccccc1C(=O)NNC(=O)c1cccc(c1)-n1cccc1
Brc1ccc(C=CC(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)o1 |w:5.4|
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(c1)-n1cccc1
COc1ccc(NC(=O)CN(C)C(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
Cc1nn(c(Cl)c1[CH-]\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccccc1C(O)=O)-c1ccccc1
Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(o3)-c3cc(ccc3C)C(O)=O)C2=O)cc1C
CN(CC(=O)Nc1ccc(C)cc1)C(=O)c1cccc(c1)-n1cccc1
COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
CCOc1ccc(NC(=O)c2cccc(c2)-n2cccc2)cc1S(=O)(=O)N1CCOCC1
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1COc2ccccc2O1
OC(=O)CCc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCCC1)C(F)(F)F
COc1ccc(Br)cc1[CH-]\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccccc1C(O)=O
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
COC(=O)C1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1
CN(C)C(CNC(=O)c1cc(nc2ccccc12)-c1ccco1)c1ccccc1
CCOC(=O)C1CCCN(C1)C(=O)c1cc(nc2ccccc12)-c1ccco1
COc1cc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl
CN(CC(=O)NCc1ccco1)C(=O)COc1cccc(c1)C(C)=O
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2CCCc2s1
CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:9.9|
COc1cc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)ccc1OCC=C |w:7.7|
CSc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:8.8|
CC(C)c1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C)C(O)=O |c:12|
Cn1c2ccccc2c2c1c1ccccc1oc2=O
[#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(nn12)-c1ccccc1
COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O |(3.08,-4.13,;4.62,-4.13,;5.39,-2.79,;4.62,-1.46,;5.39,-.13,;6.93,-.13,;7.7,1.21,;6.93,2.54,;7.7,-1.46,;6.93,-2.79,;9.24,-1.46,;10.15,-2.71,;9.67,-4.17,;11.61,-2.23,;13.07,-2.7,;13.97,-1.46,;13.07,-.22,;13.55,1.24,;12.52,2.39,;13,3.85,;14.5,4.17,;15.53,3.02,;15.05,1.56,;16.08,.41,;11.61,-.69,;10.15,-.21,;9.67,1.25,)|
Nc1ccc(cc1\N=N\c1ccccc1[N+]([O-])=O)S(=O)(=O)Nc1nccs1
CN(c1ccccc1)c1ccc(\C=C(\CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
OC(=O)CCCCCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Clc1cc2C(=O)C(=O)Nc2c(Cl)c1
O=C1C(=O)c2c(ccc3ccccc23)-c2ccccc12
C1CC2Cc3c(CN2C1)c1ccccc1c1ccccc31
COC1=C(N)C(=O)c2nc(C)ccc2C1=O |c:2|
NC(=[NH2+])[N-]CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(ccc23)[N+]([O-])=O)cc1
COc1cc(\C=C\C=C2\CC\C(=C\C=C\c3ccc(O)c(OC)c3)C2=O)ccc1O
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)nc(OC)n1
OC(C=O)C1OC(=O)C(O)C1O
[H]C12CC3([H])C4C5NC6=C(C(=O)C(=O)C=C6C15CCN2CC3=CCOC4CC(=O)OC)[N+]([O-])=O |c:14,26,t:8|
COC1=C(Br)C(=O)c2nc(C)ccc2C1=O |c:2|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
O=C1C=C(N2CC2)c2ccccc2C1=O |t:2|
C1CN2C(=N1)c1ccccc1-c1ccccc21 |c:3|
CCCCn1c(NC(=S)Nc2ccccc2)nc2ccccc12
CCCCCCCCC(=O)c1c(OC)oc(C=O)cc1=O
COc1ccc(Oc2c(OC)cc(NCc3ccc(CN)cc3)c3ncccc23)cc1
COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cccs2)c1
OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
c1coc(c1)-c1ccc2nncn2c1
ClN=C1C=CC=CC1=NCl |c:3,5|
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
COc1cc2c3[nH]c(CC4CCN(C)CC4)cc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3[nH]c(CC4CCN(CC4)C(C)C)cc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(Cl)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1ccc2c3NCCCc3c(nc2c1)-c1ccc(C)o1
Cc1ccc(o1)-c1nc2cc(OCCCN3CCCC3)ccc2c2NCCCc12
COc1cc2c3NCCCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3N(CCCN4CCCC4)CCCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCNCC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(C)CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(CC4)C4CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(CC4)C(C)C)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3N[C@@H](CC4CCN(C)CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3N[C@H](CC4CCN(C)CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(CC4)C(C)=O)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(CC4)C4CCCCC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(C)CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1cc(C)oc1C
COc1cc2c(cc1OCCCN1CCCC1)nc(-c1ccc(C)o1)c1cccnc21
COc1cc2c(cc1OCCCN1CCCC1)nc(-c1ccc(C)o1)c1ccc(CC3CCNCC3)nc21
COc1cc2c(cc1OCCCN1CCCC1)nc(-c1ccc(C)o1)c1ccc(CC3CCN(C)CC3)nc21
COc1cc2c3[nH]n(C4CCN(C)CC4)c(=O)c3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3[nH]n(CC4CCN(C)CC4)c(=O)c3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3n(CC4CCN(C)CC4)n(CC4CCN(C)CC4)c(=O)c3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CCc1c(C#N)c(N)nc(SC(C(N)=O)c2ccccc2)c1C#N
CCc1c(C#N)c(N)nc(S[C@@H](C(N)=O)c2ccccc2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)C)c1C#N
NC(=O)C(Sc1nc(N2CCCNCC2)c(C#N)c(C2CC2)c1C#N)c1ccccc1
CCN1CCCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CCCN1CCCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(CC)c1C#N
CCN1CCCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(CC)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCNC(=O)CC2)c1C#N
NC(=O)C(Sc1nc(N2CCOCC2)c(C#N)c(C2CC2)c1C#N)c1ccncc1
CCc1c(C#N)c(SC(C(N)=O)c2ccncc2)nc(N2CCN(C)C(=O)C2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCOCC2)c1C#N
CCCN1CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(CC)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCN(CC2)C2CCNCC2)c1C#N
NC(=O)C(Sc1nc(N2CCNC(CO)C2)c(C#N)c(C2CC2)c1C#N)c1ccccc1
NC(=O)C(Sc1nc(N2CCNC(=O)C2)c(C#N)c(C2CC2)c1C#N)c1ccccc1
NC(=O)C(Sc1nc(N2CCC(CC2)N2CCOCC2)c(C#N)c(C2CC2)c1C#N)c1ccccc1
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC3(CCNC3)CC2)c1C#N
CN(C)C1CCCN(C1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CC1CN(CCN1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CC1CN(CC(C)N1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CC1CN(CC(C)O1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CN1CCN(CC1=O)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
NCC1(O)CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CNC1CCCN(C1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
NC1CCCN(C1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CN(C)c1nc(SC(C(N)=O)c2ccncc2)c(C#N)c(C2CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccncc2)nc(N(C)C)c1C#N
NC1CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CN(C)C1CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
NC(=O)C(Sc1nc(N2CCNCC2)c(C#N)c(C2CC2)c1C#N)c1ccncc1
NC(=O)C(Sc1nc(N2CCCNCC2)c(C#N)c(C2CC2)c1C#N)c1ccncc1
NC(=O)C(Sc1nc(N2CCC[C@@H](O)C2)c(C#N)c(C2CC2)c1C#N)c1ccccc1 |r|
NC(=O)C(Sc1nc(N2CCC[C@H](O)C2)c(C#N)c(C2CC2)c1C#N)c1ccccc1 |r|
NC(=O)C(Sc1nc(N2CC[C@H](O)C2)c(C#N)c(C2CC2)c1C#N)c1ccncc1 |r|
CCN1CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(CC)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC3(CCO3)C2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCN(CCCN)CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC22CCNCC2)c1C#N
NC(=O)C(Sc1nc(N2CCC(CN3CCCC3)CC2)c(C#N)c(C2CC2)c1C#N)c1ccccc1
CN1CCN(CC1)C1CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CCc1c(C#N)c(N[C@@H](C(N)=O)c2ccccc2)nc(N2CCCNCC2)c1C#N |r|
NC(=O)C(Sc1nc(N2CCC(CC2)N2CCCC2)c(C#N)c(C2CC2)c1C#N)c1ccccc1
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC3(CNC3)CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC3(CNC3)C2)c1C#N
CC(Sc1nc(N2CCCNCC2)c(C#N)c(C2CC2)c1C#N)C(N)=O
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)N2CCNC2=O)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(O)CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CC[C@H](O)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCNC(=O)C2)c1C#N
NC(=O)C(Sc1nc(N)c(C#N)c(C2CC2)c1C#N)c1ccccc1
CCc1c(C#N)c(NC)nc(SC(C(N)=O)c2ccccc2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCOC)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CC(C2)OC)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCNCC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCOCC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(=O)CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)C2CCN(CCO)CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2C[C@H](C)N[C@H](C)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)C2CC3CCC(C2)N3)c1C#N |TLB:20:22:29:25.26|
NC(=O)C(Sc1nc(N2CCOC(CO)C2)c(C#N)c(C2CC2)c1C#N)c1ccccc1
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N(C)C)c1C#N |r|
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CCOCC2)c1C#N |r|
CCc1c(C#N)c(SCc2ccc(CNC(C)=O)cc2)nc(N2CCC(CC2)N2CCCC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCNC(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CN)cc2)nc(N2CCC(CC2)N2CCCC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CNC(=O)OC(C)(C)C)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(cc2)C(N)=O)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CN)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CC(O)=O)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(cc2)C(O)=O)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(=O)[nH]c2)nc(N(C)C)c1C#N
CCc1c(C#N)c(SCc2csc(NC(C)=O)n2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(cc2)S(N)(=O)=O)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CNC(C)=O)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CNC(=O)CNC(=O)OC(C)(C)C)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CNS(C)(=O)=O)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(c(nc(c1C#N)SCc2ccc(cc2)CNC(=O)CN)N3CCCN(CC3)C)C#N
CCc1c(C#N)c(SCc2ccccc2)nc(N2CCC(N)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(COC(C)=O)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CC(N)=O)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CC(=O)NC)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CO)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CNC(=O)CO)cc2)nc(N2CCCN(C)CC2)c1C#N
CCC(=O)NCc1ccc(CSc2nc(N3CCCN(C)CC3)c(C#N)c(CC)c2C#N)cc1
CCc1c(C#N)c(SCc2ccc(CNC(=O)C(C)C)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CNC(=O)CC(C)C)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CNCCO)cc2)nc(N2CCCN(C)CC2)c1C#N
CNc1c(C#N)c(SCc2ccc(CNC(C)=O)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc3CN(CCc3c2)C(C)=O)nc(N(C)C)c1C#N
CCc1c(C#N)c(SCc2ccc(cc2)C#N)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccccc2)nc(N2CCC(CC2)NC(=O)CN)c1C#N
CCc1c(C#N)c(SCc2ccccc2)nc(N2CCC(CC2)NC(=O)C(C)(C)N)c1C#N
CCc1c(C#N)c(SCc2ccc(CNC(=O)CCN)cc2)nc(N2CCCN(C)CC2)c1C#N
CCc1c(C#N)c(SCc2ccc(CNC(=O)[C@H](C)N)cc2)nc(N2CCCN(C)CC2)c1C#N |r|
CCc1c(C#N)c(SCc2ccc(CNC(=O)[C@@H](C)N)cc2)nc(N2CCCN(C)CC2)c1C#N |r|
CCNC(=O)NCc1ccc(CSc2nc(N3CCCN(C)CC3)c(C#N)c(CC)c2C#N)cc1
CCc1c(C#N)c(SCc2ccc(CNC(=O)Nc3ccccc3)cc2)nc(N2CCCN(C)CC2)c1C#N
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CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NCCN)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2CCC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CC[C@@](F)(CN)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2CC(O)C2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)ONC(N)=N)c1C#N
CCc1c(C#N)c(S[C@H](C(N)=O)c2ccccc2)nc(N2CC(N)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC[C@H](C2)NC)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2C[C@H](O)[C@H](CO)C2)c1C#N |r|
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CC[C@](F)(CN)C2)c1C#N |r|
CN(CC(=O)NC(CO)CO)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC[C@@H](C2)NC2COC2)c1C#N |r|
CN(CC(=O)N(CCO)CCO)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
NCC(=O)NC1CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(C)(CC2)NCCO)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCONC(N)=N)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NCCN)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2CCO[C@H](CO)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2C[C@H](O)[C@H](O)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2CC[C@H](CO)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2C[C@@H](O)[C@H](CO)C2)c1C#N |r|
CCc1c(C#N)c(SCc2ccc(cc2)N(C)S(C)(=O)=O)nc(N2CC[C@H](CNC(=O)CN)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC[C@@H](C2)NCC(C)(C)C)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2CC[C@@H](CO)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2C[C@@H](O)[C@H](O)C2)c1C#N |r|
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CC[C@@](O)(CO)C2)c1C#N |r|
C[C@H](N)C(=O)NC1CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N |r|
NCCOC1CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N
NC(=O)C(Sc1nc(N2CCC(CC2)NCCO)c(C#N)c(C2CC2)c1C#N)c1ccccc1
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NC(CO)CO)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2C[C@@H](O)C[C@@H](O)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2C[C@H](O)[C@@H](O)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CO)(CC2)NCCO)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2CCO[C@@H](CO)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NOC)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N2C[C@H](O)[C@@H](CO)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N(C)CCCO)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NC[C@@H](O)CO)c1C#N |r|
NC(=O)C(Sc1nc(N2CCC(CC2)NCC(O)=O)c(C#N)c(C2CC2)c1C#N)c1ccccc1
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)N(CCO)CCO)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NCCO)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCCN)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CC(CN)C2)c1C#N
CCc1c(C#N)c(SCc2ccc(cc2)N(C)S(C)(=O)=O)nc(N2CC[C@@H](CNC(=O)CN)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NCC2(CO)CC2)c1C#N
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccc(F)cc2F)nc(N2CC[C@H](O)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CC(C2)ONC(N)=N)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NCCCO)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCCN(CC(O)CO)CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NO)c1C#N
NC(=O)C(Sc1nc(N2CC(C2)NC(=O)C2(O)COC2)c(C#N)c(C2CC2)c1C#N)c1ccccc1
CCc1c(C#N)c(S[C@H](C)c2ccc(cc2)N(C)S(C)(=O)=O)nc(N2CCC(N)CC2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2F)nc(N2CC[C@H](O)C2)c1C#N |r|
COc1c(C#N)c(SCc2ccc(cc2)N(C)S(C)(=O)=O)nc(N2CCC(N)CC2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC[C@@H](C2)NC2CC2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NCC(C)(C)CO)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NCCn2cnnc2)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(=O)NCC(N)=O)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CC(F)(CN)C2)c1C#N
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CC[C@](O)(CO)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC[C@@H](C2)NCC(F)F)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC[C@@H](N)C2)c1C#N |r|
CCc1c(C#N)c(SCc2ccc(cc2)N(C)S(C)(=O)=O)nc(N2CCC(CC2)NCCO)c1C#N
COc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(N)CC2)c1C#N
CCc1c(C#N)c(S[C@H](C(N)=O)c2ccccc2)nc(N2C[C@H](O)CO2)c1C#N |r|
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N(C)CCCO)c1C#N |r|
COc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CC[C@H](O)C2)c1C#N |r|
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)N2CC(C2)OC)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccc(F)cc2)nc(N2CCC(CC2)N2CC(C2)OC)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)C2CCN(C)C2)c1C#N
N[C@@H](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)OC=O |r|
Nc1nc(=O)n(cc1CNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r,$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Nc1nc(=O)n(cc1CSCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
N[C@@H](CCN(CCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r|
N[C@@H](CCN(CCSc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r|
N[C@@H](CCN(CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r|
N[C@@H](CCC(CNCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r,w:4.25,$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
N[C@@H](CCN(CCCCCN1CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r,c:24|
CCc1c(C#N)c(S[C@@H](C(=O)NP(O)(O)=O)c2ccc(OS(C)(=O)=O)cc2)nc(N(C)C)c1C#N |r|
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccc(OS(C)(=O)=O)cc2)nc(N(C)C)c1C#N |r|
CCc1c(C#N)c(SC(C(=O)NP(O)(O)=O)c2ccc(OS(C)(=O)=O)cc2)nc(N(C)C)c1C#N
CCc1c(C#N)c(SC(C(N)=O)c2ccc(OS(C)(=O)=O)cc2)nc(N(C)C)c1C#N
NC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)CC1CCCCC1 |r|
CC(C)NCC(O)COC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12
OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
OC(CNCc1ccccc1)Cn1c2CCCCc2c2ccccc12
CC(C)NC[C@H](O)COC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12 |r|
CC(C)NC[C@@H](O)COC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12 |r|
CC(C)(CO)CC(O)Cn1c2ccccc2c2ccccc12
CC1CCN(CC(O)Cn2c3ccccc3c3ccccc23)CC1
OCCNCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
COCCNCC(O)Cn1c2ccccc2c2ccccc12
OC(CNCCc1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12
O[C@@H](CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12 |r|
O[C@H](CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12 |r|
COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Oc1ccc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c2ccccc12
CC(=O)NCCc1ccc(O)c(c1)-c1cc2C(=O)c3c(cc(O)c(C(O)=O)c3C(O)=O)C(=O)c2c(O)c1O
ClC1=C(Cl)C(=O)c2ccccc2C1=O |c:1|
OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)C=CC1=O |r,c:19|
OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
CCN(CC)CCNC(=O)c1ccc(NCCCCCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1
CN(C)CC1CC(=NO1)c1ccc(cc1)[N+]([O-])=O |c:6|
[O-][N+](=O)c1ccc(cc1)C1=NC[C@H](CN2CCCC2)O1 |t:10|
CCN(CC)CCNC(=O)c1ccc(N)cc1
Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
Cc1ccn2c(CCc3nnc4cc(C)ccn34)nnc2c1
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cncnc12)C(O)=O |r|
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nccc12)C(O)=O |r|
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nnc2c(N)ncnc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ccnc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(F)nc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(I)nc12)C(O)=O |r|
Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
COc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
CSc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)ncnc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccccc3)ncnc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12)C(O)=O |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccncc3)ncnc12)C(O)=O |r|
COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]2O)cc(OC)c1 |r|
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12)C(O)=O |r|
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CCN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCN[C@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r|
COC(=O)[C@@H]1C[C@@H](CN1)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CN1C[C@H](C[C@H]1C(O)=O)SC[C@H]1O[C@H](C(O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
COC(=O)[C@@H]1C[C@@H](CN1C)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CCNC2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCNC2)[C@@H](O)[C@H]1O |r|
CN1CC[C@H](C1)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSC[C@@H]2CCCN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSC[C@H]2CCCN2)[C@@H](O)[C@H]1O |r|
N[C@H]1CCC[C@H]1SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSC2CNC2)[C@@H](O)[C@H]1O |r|
NCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCNC2)[C@@H](O)[C@H]1O |r|
O[C@@H]1[C@@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12 |r|
O[C@@H]1[C@@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H](CS[C@H]2CCNC2)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12 |r|
O[C@@H]1[C@@H](CS[C@H]2CCNC2)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12 |r|
c1cc(c(cc1Cc2ccc(c(c2)C(=O)O)O)C(=O)O)O
OC(=O)COc1ccc(cc1)C(=O)c1cc(Br)ccc1OCC(O)=O
CN(C)CC1CC(=NO1)c1ccc(N)cc1 |c:6|
CN(C)CC1CC(Cc2ccc(cc2)[N+]([O-])=O)=NO1 |c:17|
CN1CC2ON=C(C2C1)c1ccc(N)cc1 |c:5|
CN1CC2ON=C(Cc3ccc(cc3)[N+]([O-])=O)C2C1 |t:5|
COc1ccc(CC2=NOC3CN(C)CC23)cc1 |t:7|
COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1ccccc1
Cc1cc(NCCN2CCC(COc3ccc4c(NCCCc5ccccc5)ncnc4c3)CC2)c2ccccc2n1
C(CN1CCC(COc2ccc3c(NCCc4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12
C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1ccccc1
Clc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1
C(CN1CCC(COc2ccc3c(NCc4ccc(cc4)-c4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12
C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1cccc2ccccc12
C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1cccc2ccccc12
COc1cc2nccc(NCCN3CCC(COc4ccc5c(NCCCc6ccccc6)ncnc5c4)CC3)c2cc1OC
COc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1
c1ccc2c(c1)c(cs2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O
CN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br
O=C1NCNC(NCc2ccco2)=N1 |c:13|
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1
CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
COc1cc2c(NC3CCN(C)CC3)cc(C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccnn1C
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(o1)C#N
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1=CCCCC1 |t:33|
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccccc1C
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)[nH]1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1=CCOCC1 |t:33|
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(CO)o1
COc1cc2c(NC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C(F)(F)F
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)C1CCCCC1
C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1CCCCC1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)N1CCN(C)CC1
COc1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccccc1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1cccnc1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1cc[nH]c(=O)c1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccoc1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccn(C)n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1CCC(C)O1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1CCOCC1
CCNCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(CN(C)C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(o1)-c1ccccc1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1cc2ccccc2o1
COc1cc2c(NC3CCNCC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCN(CC2)C(C)C)c2cc(OC)c(OCCCN3CCCC3)cc2n1
CCc1ccc(o1)-c1cc(NC2CCN(CC2)C2CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(CC3)C3CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)s1
COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)c(Cl)cc12)-c1ccc(C)o1
COc1cc2c(NCC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCC22CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NCCO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCc3ccccc3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3C4CCC3CN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C2)C1CC1)-c1ccc(C)o1
COc1cc2c(NC3CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCCC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)C(=O)C3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC(C)(C)C3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCC33CCN(C)C3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NCC2C3CCC2CN(C)C3)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1)N(C)C1CCN(C)CC1
COc1cc2c(OC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)c(OC(F)(F)F)cc12)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)c(cc12)C#N)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN(C)C)cc2n1
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCOCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCC(F)C1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCC1CCNCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CCNCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C2)C(C)C)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
COc1cc2c(NC3C4CCC3CN(C)C4)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
COc1cc2c(NC3CCC33CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CNC(=O)CCNc1cc(nc2cc(OCCCN3CCCC3)c(OC)cc12)-c1ccc(C)o1
COc1cc2c(NCC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CC4CCC(C3)N4C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)ccc12)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCC4(CC4)C3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCC1CCN(C)CC1)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NCC3C4CCC3CN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2nc(cc(NC3CCN(C)CC3)c2cc1OC)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCC1CCN(C)CC1)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)c(O)cc12)-c1ccc(C)o1
c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)Br
Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)cc2)nc(N)n1
O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(Nc2ccnc3ccccc23)cc1
Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc2)nc(N)n1
Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1
Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1
Nc1ccc(NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)cc1
Cc1cc(Nc2cccc(NC(=O)c3ccccc3Nc3ccnc4ccccc34)c2)nc(N)n1
Cc1cc(Nc2ccc(NC(=O)c3ccccc3Nc3ccnc4ccccc34)cc2)nc(N)n1
Cc1cc(Nc2ccccc2NC(=O)c2cccc(Nc3ccnc4ccccc34)c2)nc(N)n1
Cc1cc(Nc2ccccc2NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)nc(N)n1
CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3ccccc3s2)cc1
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12)C(O)=O |r|
OC(=O)[C@H]1[C@@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccccc1 |r|
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |r|
OC(=O)[C@H]1[C@@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccc2ccccc2c1 |r|
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NSc1ncccc1[N+]([O-])=O |r|
OC(=O)[C@@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |r|
OC(=O)[C@@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccccc1 |r|
OC(=O)[C@@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccc2ccccc2c1 |r|
OC(=O)[C@H](Cc1csc2ccccc12)N1C(=O)c2ccccc2C1=O |r|
COc1ccc(CN2CCC(CC2)Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc3cc(OC)c(OC)cc23)cc1
C(N1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1)c1ccc2ccccc2c1
COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)cc1
COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1
COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(CC1)c1ccccc1
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1OCc1ccccc1)N1CCN(CC1)c1ccccc1
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1O)N1CCN(CC1)c1ccccc1
COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2c1)N1CCN(CC1)c1ccccc1
COc1cc2nc(NCc3ccc(F)cc3)nc(NC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
C(CN1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1)Cc1ccccc1
C(Cc1ccccc1)N1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1
COc1ccc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2c1)N1CCN(CC1)c1ccccc1
CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5
CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O
CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)C#N
O=C(CSc1ncnc2sccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
Cc1ccc2C(=O)C(CN(CC(=O)Nc3ccc4OCOc4c3)c2n1)c1nc(no1)-c1cccc(F)c1
Cc1ccc(NC(=O)c2ncn(CC(=O)NCCn3ccc4c(N)ncnc34)n2)cc1C
CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCCn3ccc4c(N)ncnc34)n2)cc1
ONC(=O)C1CCN(CC(O)COC(Cn2c3ccccc3c3ccccc23)Cn2c3ccccc3c3ccccc23)CC1
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCc3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCC(CC3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |(23,-19.22,;24.34,-18.45,;25.68,-19.22,;27.01,-18.45,;28.34,-19.21,;29.67,-18.44,;29.66,-16.9,;30.99,-16.12,;32.33,-16.89,;32.32,-18.44,;33.65,-19.21,;34.99,-18.44,;34.99,-16.89,;33.65,-16.12,;36.33,-19.21,;36.33,-20.75,;37.66,-18.44,;38.99,-19.21,;31.01,-19.2,;31.01,-20.75,;29.68,-21.52,;28.34,-20.76,;27.01,-21.53,;25.68,-20.76,;24.34,-21.53,;24.34,-23.07,;23.01,-23.84,;23.01,-25.38,;21.67,-26.15,;20.26,-25.52,;19.23,-26.67,;20,-28,;21.5,-27.68,;32.35,-21.51,;33.76,-20.88,;34.79,-22.02,;34.03,-23.35,;34.66,-24.76,;32.52,-23.04,)|
COc1cc2c(NCC3CCN(Cc4ccc(cc4)C(=O)NO)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(Cc4ccc(cc4)C(=O)NO)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCN(CC3)c3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCN(CC3)C3CCC(CC3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |(44.4,-30.77,;45.73,-30,;47.08,-30.78,;48.4,-30.01,;49.74,-30.77,;51.07,-30,;51.06,-28.46,;52.39,-27.68,;53.72,-28.45,;53.72,-30,;55.04,-30.78,;56.39,-30.01,;56.39,-28.47,;55.05,-27.69,;57.72,-30.79,;57.71,-32.33,;59.03,-33.1,;60.37,-32.34,;60.37,-30.79,;59.04,-30.02,;61.7,-33.11,;61.7,-34.65,;63.04,-32.34,;64.37,-33.12,;52.4,-30.76,;52.41,-32.31,;51.08,-33.08,;49.74,-32.31,;48.41,-33.09,;47.07,-32.32,;45.74,-33.09,;45.74,-34.63,;44.4,-35.4,;44.4,-36.94,;43.07,-37.71,;41.66,-37.08,;40.62,-38.22,;41.39,-39.56,;42.9,-39.24,;53.75,-33.07,;55.15,-32.43,;56.19,-33.57,;55.42,-34.91,;56.05,-36.32,;53.91,-34.6,)|
COc1cc2c(NCC3CCC(CC3)c3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |(5.35,-49.68,;6.68,-48.91,;8.02,-49.68,;9.35,-48.91,;10.69,-49.68,;12.01,-48.9,;12.01,-47.36,;13.34,-46.59,;14.67,-47.36,;14.66,-48.91,;15.99,-49.68,;17.33,-48.92,;17.34,-47.37,;16,-46.59,;18.66,-49.69,;18.65,-51.23,;19.98,-52.01,;21.32,-51.24,;21.32,-49.69,;19.99,-48.93,;22.65,-52.02,;22.65,-53.56,;23.99,-51.25,;25.32,-52.02,;13.35,-49.66,;13.36,-51.21,;12.02,-51.99,;10.69,-51.22,;9.36,-52,;8.02,-51.23,;6.69,-52,;6.69,-53.54,;5.35,-54.3,;5.35,-55.84,;4.02,-56.61,;2.61,-55.98,;1.57,-57.13,;2.34,-58.46,;3.85,-58.14,;14.69,-51.97,;16.1,-51.34,;17.13,-52.48,;16.37,-53.82,;17,-55.22,;14.86,-53.5,)|
COc1cc2c(NCc3ccc(cc3)-c3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCc3ccc(cc3)[C@H]3CC[C@@H](CC3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |r,wU:14.14,wD:17.21,(52.14,-46.19,;53.47,-45.42,;54.82,-46.19,;56.15,-45.42,;57.48,-46.19,;58.81,-45.41,;58.8,-43.87,;60.13,-43.1,;61.47,-43.87,;61.46,-45.42,;62.79,-46.19,;64.13,-45.43,;64.13,-43.88,;62.79,-43.1,;65.46,-46.2,;66.79,-45.44,;68.12,-46.21,;68.12,-47.75,;66.78,-48.52,;65.45,-47.74,;69.45,-48.53,;69.44,-50.07,;70.78,-47.76,;72.12,-48.54,;60.14,-46.17,;60.15,-47.72,;58.82,-48.5,;57.48,-47.73,;56.15,-48.51,;54.81,-47.74,;53.48,-48.51,;53.48,-50.05,;52.14,-50.82,;52.14,-52.36,;50.81,-53.13,;49.4,-52.5,;48.37,-53.64,;49.14,-54.97,;50.64,-54.66,;61.49,-48.48,;62.89,-47.85,;63.93,-48.99,;63.16,-50.33,;63.8,-51.73,;61.66,-50.01,)|
COc1cc2c(NCc3ccc(cc3)[C@@H]3CC[C@@H](CC3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |r,wU:14.14,17.21,(5.03,-4.91,;6.36,-4.14,;7.71,-4.92,;9.03,-4.14,;10.37,-4.91,;11.7,-4.14,;11.69,-2.6,;13.02,-1.82,;14.35,-2.59,;14.35,-4.14,;15.67,-4.92,;17.02,-4.15,;17.02,-2.61,;15.68,-1.83,;18.35,-4.93,;18.34,-6.47,;19.66,-7.24,;21,-6.48,;21.01,-4.93,;19.68,-4.16,;22.34,-7.25,;22.33,-8.79,;23.67,-6.48,;25,-7.26,;13.03,-4.9,;13.04,-6.44,;11.71,-7.22,;10.37,-6.45,;9.04,-7.23,;7.7,-6.46,;6.37,-7.23,;6.37,-8.77,;5.03,-9.54,;5.03,-11.08,;3.7,-11.85,;2.29,-11.22,;1.25,-12.36,;2.02,-13.7,;3.53,-13.38,;14.38,-7.21,;15.78,-6.57,;16.82,-7.71,;16.05,-9.05,;16.68,-10.45,;14.54,-8.74,)|
COc1cc2c(NC3CCN(CC3)c3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(C)nc2cc1OCCCN1CCCC1
COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(nc2cc1OCC1CCNCC1)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3C4CCC3CN(C4)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCc3ccc(cc3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCC(CC3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |(18.22,-51.09,;18.22,-49.55,;19.56,-48.78,;20.89,-49.55,;22.22,-48.77,;23.56,-49.54,;24.89,-48.76,;24.88,-47.21,;23.55,-46.45,;23.54,-44.91,;24.87,-44.14,;26.21,-44.91,;26.2,-46.46,;27.53,-47.23,;28.87,-46.47,;28.87,-44.92,;27.54,-44.14,;30.2,-47.24,;30.19,-48.78,;31.53,-46.48,;32.87,-47.25,;22.22,-47.23,;20.89,-46.46,;19.56,-47.23,;18.21,-46.46,;16.88,-47.23,;26.23,-49.52,;27.63,-48.88,;28.67,-50.02,;27.91,-51.36,;28.54,-52.76,;26.4,-51.05,)|
COc1cc2nc(cc(NCc3ccc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCN(Cc4ccc(cc4)C(=O)NO)CC3)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCN(Cc4ccc(s4)C(=O)NO)CC3)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCN(CC3)C3CC(C3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |(23.21,-8.51,;23.21,-6.97,;24.55,-6.2,;25.88,-6.97,;27.22,-6.2,;28.55,-6.96,;29.89,-6.19,;29.88,-4.64,;28.54,-3.88,;28.53,-2.34,;29.86,-1.56,;31.2,-2.33,;31.19,-3.89,;32.52,-4.66,;33.86,-3.89,;33.87,-2.35,;32.53,-1.57,;35.19,-4.67,;35.58,-6.17,;37.07,-5.77,;36.68,-4.28,;38.4,-6.55,;38.39,-8.09,;39.74,-5.78,;41.07,-6.56,;27.22,-4.65,;25.88,-3.89,;24.55,-4.66,;23.21,-3.89,;21.87,-4.66,;31.22,-6.95,;32.63,-6.31,;33.66,-7.45,;32.9,-8.78,;33.54,-10.19,;31.4,-8.47,)|
COc1cc2nc(cc(N[C@H]3CC[C@H](CC3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |r,wU:10.9,13.16,(4.91,-22.33,;4.91,-20.79,;6.24,-20.02,;7.57,-20.79,;8.91,-20.02,;10.24,-20.78,;11.58,-20.01,;11.57,-18.46,;10.23,-17.7,;10.22,-16.16,;11.55,-15.38,;11.54,-13.84,;12.88,-13.07,;14.21,-13.83,;14.21,-15.37,;12.89,-16.14,;15.55,-13.06,;16.88,-13.83,;15.54,-11.52,;16.88,-10.75,;8.91,-18.47,;7.57,-17.71,;6.24,-18.48,;4.9,-17.71,;3.56,-18.48,;12.91,-20.77,;14.32,-20.13,;15.35,-21.27,;14.59,-22.6,;15.23,-24.01,;13.09,-22.29,)|
COc1cc2nc(cc(N[C@H]3CC[C@@H](CC3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |r,wU:10.9,wD:13.16,(17.68,-22.69,;17.68,-21.15,;19.01,-20.38,;20.35,-21.15,;21.68,-20.37,;23.01,-21.14,;24.35,-20.37,;24.34,-18.82,;23,-18.06,;23,-16.52,;24.33,-15.74,;24.31,-14.2,;25.65,-13.42,;26.98,-14.19,;26.98,-15.73,;25.66,-16.5,;28.32,-13.42,;29.65,-14.19,;28.31,-11.88,;29.65,-11.11,;21.68,-18.83,;20.34,-18.07,;19.01,-18.84,;17.67,-18.06,;16.34,-18.83,;25.69,-21.13,;27.09,-20.49,;28.12,-21.63,;27.36,-22.96,;28,-24.36,;25.86,-22.65,)|
COc1cc2nc(cc(NCC3CCN(CC3)c3ccc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(C)cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)C1CCCCC1
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccccc1
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)N1CCCCC1
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1cc(C)oc1C
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)s1
COc1cc2nc(nc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
O=C(Nc1ccc(NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)cc1)OCc1ccccc1
O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(Nc2ccncc2)cc1
O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1cccc(Nc2ccnc3ccccc23)c1
CCN(C1CCOCC1)c1cc(CNC(=O)C=C)cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c1C
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)N(C)C(=O)C=C
Cc1oc2ncn(CCCN3CCCCC3)c(=O)c2c1C(=O)Nc1ccc(nc1)S(N)(=O)=O
CN(C)CCn1cnc2oc(C)c(C(=O)Nc3ccc(nc3)S(N)(=O)=O)c2c1=O
Cc1oc2ncn(CCN3CCCC3)c(=O)c2c1C(=O)Nc1ccc(nc1)S(N)(=O)=O
Cc1oc2ncn(CCN3CCCCC3)c(=O)c2c1C(=O)Nc1ccc(nc1)S(N)(=O)=O
Cc1oc2ncn(CCCN3CCCC3)c(=O)c2c1C(=O)Nc1ccc(nc1)S(N)(=O)=O
CC(=O)NCCc1ccc(c(c1)c2c(c3c(c(c2O)O)C(=O)c4cc(c(c(c4C3=O)C(=O)O)C(=O)O)O)O)O
O=C(NO)C1CCN(C[C@@H](O)COC(Cn2c3ccccc3c3ccccc32)Cn2c3ccccc3c3ccccc32)CC1
O=C(O)C(Cn1c2ccc(Br)cc2c2cc(Br)ccc21)N1C(=O)c2ccccc2C1=O
O=C(O)C(Cn1c2ccc(I)cc2c2cc(I)ccc21)N1C(=O)c2ccccc2C1=O
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CC(C(=O)O)N1C(=O)c2ccccc2C1=O
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O
O=C(O)C(Cn1c2ccc(Cl)cc2c2cc(Cl)cc(Cl)c21)N1C(=O)c2ccccc2C1=O
O=C(O)[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)cc(Cl)c21)N1C(=O)c2ccccc2C1=O
O=C(O)[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)cc(Cl)c21)N1C(=O)c2ccccc2C1=O
COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1
CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CNCc3ccc(/C=C/C(=O)NO)cc3)CC2)c1C#N
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CCC(CNCc3ccc(/C=C/C(=O)NO)cc3)CC2)c1C#N
CCc1c(C#N)c(S[C@H](C(N)=O)c2ccccc2)nc(N2CCC(CNCc3ccc(/C=C/C(=O)NO)cc3)CC2)c1C#N
Nc1ccn(Cc2ccc(-c3cn(CCCCCCC(=O)NO)nn3)cc2)c(=O)n1
COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCOCC1
CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|
CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C