302 SMILES Strings for Major prion protein

Compound Name
SMILES String
Brc1c(OCC(=O)Nc2cccnc2)ccc2ccccc12
Brc1c(OCC(=O)Nc2ccncc2)ccc2ccccc12
Brc1c(SCC(=O)OCC(=O)NC2CC2)ccc2ccccc12
Brc1cc(Br)c2nc3CCCc3cc2c1
Brc1cc(Br)c2ncnc(N3CCCCC3)c2c1
Brc1cc2[nH]cnc2c2ccccc12
Brc1ccc(cc1)C(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
Brc1ccc(o1)-c1nn2c(nnc2s1)-c1ccco1
Brc1ccc2nc(-c3ccc(CN4CCC5(CNc6ccccc56)CC4)cc3)c(nc2c1)-c1ccccc1
Brc1ccc2nc(-c3ccco3)c(Cc3ccccc3)n2c1
Brc1cccc(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCN1CCOCC1
C(c1ccccc1)c1nnc(Sc2ccccc2)c2ccccc12
C1Oc2cc3nc(Nc4nc5ccccc5s4)sc3cc2O1
CC(=NCc1cccnc1)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O |w:2.2|
CC(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
CC(=O)NC(=O)NC=C
CC(=O)NC(CSc1cc(C)nc2ccc(Br)cc12)C(O)=O
CC(=O)Nc1ccc(cc1)-c1ccnc(n1)-c1ccc(NC(C)=O)cc1
CC(=O)c1ccc(CCCCCCCCCC(O)=O)s1
CC(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
CC(=O)c1nnn(c1C)-c1nc(N)nc(n1)N(c1ccccc1)c1ccccc1
CC(=O)c1sccc1NC(=O)c1ccccc1C([O-])=O
CC(C(O)=O)n1nc(C)c2sc3ccccc3c2c1=O
CC(C)(C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br
CC(C)(C)c1nc(SCC(=O)NNC(=O)c2ccccc2)c2ccccc2n1
CC(C)C1Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
CC(C)CSc1nnc2c(n1)n(C)c1ccccc21
CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)c(F)c1
CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1F
CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cn1
CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)nc1
CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc3ccccc3c1)c2C(N)=O
CC(C)OC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
CC(C)c1nc(SCC(=O)N2CC(=O)Nc3ccccc23)c2ccccc2n1
CC(C)c1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
CC(C)c1nc(SCC(=O)Nc2ccc(cc2)N(C)C)c2ccccc2n1
CC(C)c1nc(SCC(=O)Nc2nc(C)cs2)c2ccccc2n1
CC(C)c1nc(SCC(=O)Nc2nc3CCCCc3s2)c2ccccc2n1
CC(C)c1nc(SCC(=O)Nc2nccs2)c2ccccc2n1
CC(C)c1nc(SCC(=O)Nc2nnc(C)s2)c2ccccc2n1
CC(CN1c2ccccc2Sc2ccccc12)N(C)C
CC(Sc1cc(C)c2ccccc2n1)C(O)=O
CC(Sc1ccc2ccccc2n1)C(O)=O
CC(Sc1ccc2ccccc2n1)C([O-])=O
CC(Sc1nc(nc2ccccc12)-c1cccs1)C(=O)Nc1cc(C)on1
CC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
CC1CCC(CC1)NC(=O)c1cc2CCCCc2s1 |(16.57,-.77,;15.03,-.77,;14.26,-2.1,;12.72,-2.1,;11.95,-.77,;12.72,.56,;14.26,.56,;10.41,-.77,;9.64,.56,;10.41,1.9,;8.1,.56,;7.2,1.8,;5.75,1.33,;4.41,2.1,;3.08,1.33,;3.08,-.21,;4.41,-.98,;5.75,-.21,;7.2,-.68,)|
CC1CCCCC1NC(=O)COc1ncnc2sc3CCCc3c12
CC1CCCCN1CC(=O)Nc1sc2CCCCCc2c1C#N
CC1CCCN(C1)C(=O)CSc1cnc2ccccc2n1
CC1CCC\C=C\C2CC(O)CC2C(O)\C=C\C(=O)O1 |t:5,16|
CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCCC(C1)C(=O)Nc1cc(C)cc(C)c1
CC1Cc2ccccc2N1C(=O)COc1ncnc2sccc12
CCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCc2ccccc12
CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(O)=O
CCC(Sc1ncnc2sc(C)c(C)c12)C(=O)OC
CCC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
CCC1(CC)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
CCCCNC(=O)CSc1nc(CCC)nc2ccccc12
CCCCNc1nc2ccccc2n1CC(=O)N1CCc2ccccc12
CCCCOc1ccc(C(=O)C2C(N(Cc3cccnc3)C(=O)C2=O)c2ccncc2)c(C)c1
CCCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1
CCCOc1ccc(cc1C)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccccc1F
CCC[C@@H]1Nc2ccccc2N1CC(=O)N1CCCc2ccccc12 |r|
CCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
CCCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1
CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
CCCn1c(N)c(C(=O)CSc2nncs2)c(=O)[nH]c1=O
CCN(CC)C(=O)CSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
CCN1C(=O)C2(C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc12
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2cccnc2)cc1
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccncc2)cc1
CCOC(=O)C(C)Sc1nc(nc2ccccc12)-c1ccccc1
CCOC(=O)C(CC)Sc1cc(C)nc2ccc(OC)cc12
CCOC(=O)CNC(=O)CSc1nc2c(C)cccc2cc1CC
CCOC(=O)COc1cc(Br)c(CN=Nc2ccccc2)cc1OC |w:14.14|
CCOC(=O)CSc1ccc2ccccc2n1
CCOC(=O)CSc1nc(CC)nc2ccccc12
CCOC(=O)CSc1nc(COc2ccccc2)nc2ccccc12
CCOC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
CCOC(=O)CSc1nc(nc2ccc(F)cc12)-c1ccccc1
CCOC(=O)CSc1nc(nc2ccccc12)-c1ccccc1
CCOC(=O)CSc1nc(nc2ccccc12)C(C)(C)C
CCOC(=O)CSc1nc(nc2ccccc12)C(C)C
CCOC(=O)N1CCN(CC1)C(=O)COc1ccc2ccccc2c1Br
CCOC(=O)NC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1
CCOC(=O)c1c(N)scc1-c1ccc(C)s1
CCOC(=O)c1c(oc2cc(Br)c(O)cc12)-c1ccccc1
CCOC(=O)c1sc(NC(=S)NC(=O)C2CCCC2)cc1C
CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)c(Br)cc1OCC(O)=O
CCOc1ccc(C(=O)C2C(N(C(=O)C2=O)c2ccccn2)c2ccc(F)cc2)c(C)c1
CCOc1ccc(C(=O)C2C(N(C(=O)C2=O)c2ccccn2)c2ccccc2F)c(C)c1
CCOc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1
CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
CCOc1ccc(cc1)-c1cc(C(=O)NCCCn2ccnc2)c2cc(Br)ccc2n1
CCOc1ccc(cc1)-n1nc2c(c1C)c(C)n[nH]c2=S
CCOc1ccc(cc1OCC)C1C(C#N)C(=N)SC(=N)C1C#N
CCOc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1
CCc1c(C)nc2c(Br)cccc2c1SCCC#N
CCc1c([nH]c2ccc(Br)cc12)C(O)=O
CCc1cc2c(occ(-c3ccc4OCOc4c3)c2=O)c(CN(C)C)c1O
CCc1cc2cccc(C)c2nc1SCC(=O)N1CCN(CC1)C(=O)c1ccco1
CCc1cc2cccc(C)c2nc1SCC(=O)NNC(=O)c1ccco1
CCc1ccc(s1)-c1nc2ccc(Br)cc2c(C(O)=O)c1C
CCc1nc(SCC(=O)N2c3ccccc3Sc3ccccc23)c2ccccc2n1
CCc1nc(SCC(=O)NNC(=O)C(C)C)c2ccccc2n1
CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
CCc1nc(SCC(=O)NNC(=O)c2ccc(C)cc2)c2ccccc2n1
CCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1
CCc1nc(SCC(=O)Nc2ccc(cc2)N(C)C)c2ccccc2n1
CCc1nc(SCC(=O)Nc2nc3CCCCc3s2)c2ccccc2n1
CCc1nc(SCC(=O)OC(C)C)c2ccccc2n1
CCc1nonc1NC(=O)c1oc2cc(Br)ccc2c1C
CN(C(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1)c1ccccc1
CN(C)CCCN1c2ccccc2CCc2ccccc12
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O
CN(C)CCCN1c2ccccc2Sc2ccccc12
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc1ccc(C)c(F)c1
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc1nc2ccccc2s1
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc1ncc(C)s1
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc1nccs1
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
CN(Cc1cn(C)nc1C)C(=O)c1cc(nc2ccc(Br)cc12)-c1ccccc1
CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2cccc(Br)c2)cc1
CN1\C(=C\C(=O)Nc2cccs2)c2ccccc2CC1(C)C
CNC(=O)NC(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
CNc1ncc(s1)C(=O)c1ccc(Cl)cc1
COC(=O)CSc1ccnc2cc(Cl)ccc12
COC(=O)CSc1nc(COc2ccccc2)nc2ccccc12
COC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
COC(=O)CSc1nc(nc2ccc(F)cc12)-c1ccccc1
COC(=O)CSc1nc(nc2ccccc12)-c1ccccc1
COC(=O)CSc1nc(nc2ccccc12)C(C)C
COC(=O)CSc1ncnc2scc(-c3ccccc3)c12
COC(=O)[C@H](CC1(C(=O)Nc2ccccc12)c1cn(c2ccccc12)S(=O)(=O)CC[Si](C)(C)C)NC(=O)OC(C)(C)C
COC(=O)c1sc(NC(=S)NNC(=O)c2c(Br)c(C)nn2C)c(C(=O)OC)c1C
COC(=O)c1sccc1NC(=O)C1CC=CCC1C(O)=O |c:15|
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2n(C)cnc2c1
COc1cc(cc(OC)c1OC)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
COc1cc(cc(OC)c1OC)C(=O)Nc1scc(c1C(O)=O)-c1ccc(C)cc1
COc1cc2cc(Br)cc(Br)c2nc1C
COc1ccc(Cl)cc1-c1nnc(S)o1
COc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1
COc1ccc(NC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2)cc1OC
COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1C(N)=O
COc1ccc(OC)c(Nc2nnc(s2)-c2cc3cccc(OC)c3oc2=O)c1
COc1ccc(OC)c(c1)-c1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc1C
COc1ccc(OC)c(c1)C1NC(=O)N(C)C(C)=C1C(=O)OCc1ccccc1 |c:18|
COc1ccc(\C=C/C(=O)NCc2ccc3n(C)c(C)cc3c2)cc1OC
COc1ccc(cc1)-c1nc(N)sc1-c1ccc(OC)cc1
COc1ccc(cc1)C(=O)NNC(=O)CSc1nc(nc2ccccc12)C(C)C
COc1ccc(cc1NC(=O)CSc1ncnc2ccccc12)S(=O)(=O)N1CCOCC1
COc1ccc(cc1OC)-c1nc2c(C)cc(Br)cn2c1Cc1cccc(Cl)c1
COc1ccc(cc1OC)-c1nc2ccc(Br)cn2c1Cc1cccc(Cl)c1
COc1ccc(cc1OC)-c1nc2ccc(Br)cn2c1Cc1cccc(F)c1
COc1ccc(cc1OC)-c1nnc(o1)-c1ccc(Br)o1
COc1ccc2C3=C(Br)C(=O)CC3(C)CCc2c1 |c:6|
COc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc(C)c(F)c1
COc1ccc2[nH]c3c(nc[nH]c3=S)c2c1
COc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1
COc1ccc2c(Cl)c(sc2c1)C(N)=O
COc1ccc2nc(Nc3nc4cc5OCCOc5cc4s3)sc2c1
COc1cccc(NC(=O)CCSc2ccc3ccccc3n2)c1
COc1cccc(c1)-c1cc2c([nH]c(=S)n(-c3ccccc3)c2=O)s1
COc1cccc(c1)-n1cc(O)c(c1N)-c1nc2ccccc2s1
COc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2)CC1
COc1cccc2s\c(=N/C(=O)c3ccc(Br)s3)n(CC#C)c12
COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1
COc1ccccc1Cn1c(=S)[nH]c2ccc(F)cc2c1=O
COc1ccccc1Cn1c(=S)[nH]c2ccccc2c1=O
COc1nc(-c2ccccc2)c2cc(Br)ccc2n1
CSCCC(Nc1ncnc2ccc(Br)cc12)C(O)=O
CSc1c(-c2ccc(C)s2)c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1 |r,wU:14.15,17.19,(-3.06,4.75,;-4.15,3.66,;-3.75,2.18,;-4.83,1.08,;-6.32,1.48,;-7.41,.39,;-8.78,1.09,;-8.54,2.61,;-9.63,3.7,;-7.02,2.85,;-4.12,-.29,;-2.6,-.04,;-2.37,1.49,;-1.04,2.26,;.29,1.49,;.29,-.05,;1.63,-.82,;2.96,-.05,;4.29,-.82,;5.63,-.05,;6.96,-.82,;8.29,-.05,;9.63,-.82,;8.29,1.49,;2.96,1.49,;1.63,2.26,;-4.52,-1.78,;-6.01,-2.18,;-6.41,-3.66,;-5.32,-4.75,;-3.83,-4.35,;-3.43,-2.87,)|
CSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1cncc(F)c1 |r,wU:8.8,11.12,(-2.88,4.75,;-3.97,3.66,;-3.57,2.18,;-4.65,1.08,;-3.94,-.29,;-2.42,-.04,;-2.2,1.49,;-.86,2.26,;.47,1.49,;.47,-.05,;1.8,-.82,;3.14,-.05,;4.47,-.82,;5.81,-.05,;7.14,-.82,;8.47,-.05,;9.81,-.82,;8.47,1.49,;3.14,1.49,;1.8,2.26,;-4.34,-1.78,;-5.83,-2.18,;-6.23,-3.66,;-5.14,-4.75,;-3.65,-4.35,;-3.25,-2.87,;-6.14,1.48,;-6.54,2.96,;-8.03,3.36,;-9.12,2.27,;-8.72,.79,;-9.81,-.3,;-7.23,.39,)|
CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1 |t:5,16|
C[C@H]1COc2n1nc1cc(I)ccc21
Cc1c(sc2ccccc12)C(=O)c1ccccc1C(O)=O
Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
Cc1cc(Br)cn2c(Cc3cccc(Cl)c3)c(nc12)-c1ccco1
Cc1cc(Br)cn2c(Cc3cccc(F)c3)c(nc12)-c1ccco1
Cc1cc(C)c2nc(SC3CCOC3=O)cc(C)c2c1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)cc2)n1
Cc1cc(NC(=O)CCC(=O)N(C(C(=O)NC2CCCC2)c2cccs2)c2ccccc2)no1
Cc1cc(NC(=O)COc2ccc3ccccc3c2Br)no1
Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1
Cc1cc(NC(=O)CSc2nc(CCC3CCCC3)nc3ccccc23)no1
Cc1cc(NC(=O)CSc2nc(nc3ccccc23)-c2cccs2)no1
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccncc1
Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCC3)ccc2n1C
Cc1cc2cc3OCCOc3cc2nc1SCCN1CCCCC1
Cc1cc2cccc(C)c2nc1SCC(=O)NNC(=O)c1ccco1
Cc1ccc(Cc2c(nc3c(C)cc(Br)cn23)-c2ccco2)cc1
Cc1ccc(Cc2c(nc3ccc(Br)cn23)-c2ccco2)cc1
Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1
Cc1ccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)NCc2ccccn2)cc1C
Cc1ccc(Sc2c(O)c3ccccc3n(C)c2=O)cc1
Cc1ccc(cc1)C1C(C#N)C(=N)SC(=N)C1C#N
Cc1ccc(cc1)S(=O)(=O)N(CCCN1CCCC1=O)Cc1cc2c(C)ccc(C)c2[nH]c1=O
Cc1ccc(cc1NC(=O)CSc1ncnc2ccccc12)S(=O)(=O)N1CCCCC1
Cc1cccc2c(C)cc(SCCC(O)=O)nc12
Cc1cccc2c1oc(NC(=O)c1ccco1)c(-c1ccc3OCOc3c1)c2=O
Cc1cccc2cc(C#N)c(nc12)N1CCCN(CC1)C(=O)C1CCC1
Cc1cccc2cc3c(N)c(sc3nc12)C(=O)NC1CCCC1
Cc1ccccc1-c1nnc(S)o1
Cc1n(nc2c(SCCN3CCOCC3)nnc(C)c12)-c1ccc(C)cc1
Cc1n(nc2c1c(C)n[nH]c2=S)-c1ccc(C)cc1
Cc1n(nc2c1c(C)n[nH]c2=S)-c1cccc(Cl)c1
Cc1n(nc2c1c(C)n[nH]c2=S)-c1ccccc1F
Cc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)c2ccccc2n1
Cc1nc(SCCC(O)=O)c2ccccc2n1
Cc1nc2c(Br)cc(Br)cc2cc1O
Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(O)=O
Cc1onc(c1C(=O)Nc1nnc(s1)C(F)(F)F)-c1c(F)cccc1Cl |(11.89,2.65,;12.05,1.12,;13.38,.35,;13.06,-1.16,;11.53,-1.32,;10.9,.09,;9.4,.41,;8.36,-.73,;8.92,1.88,;7.41,2.2,;6.27,1.16,;4.93,1.93,;5.26,3.44,;6.79,3.6,;4.22,4.59,;3.19,5.73,;3.08,3.56,;5.37,5.62,;10.76,-2.65,;12.09,-3.42,;13.43,-2.65,;12.09,-4.96,;10.76,-5.73,;9.42,-4.96,;9.42,-3.42,;8.09,-2.65,)|
Cc1sc2nc(C)nc(SC3CCOC3=O)c2c1C
Cc1sc2nc(C)nc(SCC(=O)Nc3cc(cc(c3)C(N)=O)C(N)=O)c2c1C
Cc1sc2ncnc(Sc3ccccc3C(O)=O)c2c1C
Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1
Clc1ccc(Cc2nc3ccccc3c(=S)[nH]2)cc1
Clc1cccc(NC(=O)CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c1
Clc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1
Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Cn1c(=O)c(C(=O)CSc2nncs2)c(N)n(Cc2ccccc2)c1=O
Cn1c(nc2n(C)c(=O)n(Cc3cccc(Br)c3)c(=O)c12)N1CCC(CC1)C(N)=O
Cn1c2c(ccc3ccccc23)sc1=S
Cn1nc(c(\C=N\OC(=O)c2ccccc2Cl)c1SCc1ccccc1Cl)C(F)(F)F
FC(F)(F)C1(N=C(CCc2ccccc2)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C(F)(F)F |t:5|
Fc1ccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1
Fc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc4OCCOc4cc23)cc1
Fc1cccc(Cc2c(nc3ccc(Br)cn23)-c2ccc(cc2)C#N)c1
Fc1cccc(Cc2c(nc3ccc(Br)cn23)-c2ccco2)c1
Fc1cccc(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCN1CCOCC1
Fc1cccc2sc(Nc3nc4c(F)cccc4s3)nc12
NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1
NC(=NOC(=O)COc1ccc2ccccc2c1Br)c1ccccn1 |w:2.2|
NC(=O)CSc1nc(nc2ccccc12)-c1ccccc1
NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4CCCCCc4sc3n12
NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
NC(=O)c1ccc(o1)-c1ccc(Br)cc1
Nc1c(cnn1-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCNCC1
Nc1nc(C(C#N)C#N)c(C#N)c(-c2ccccc2)c1C#N
Nc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1Br
Nc1nnc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)s1
O=C(CC1CNc2ccccc12)NC1CCc2ccccc2C1
O=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCCc2ccccc12
O=C(CN1C(=O)COc2ccccc12)N1CCCc2ccccc12
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc23)C1=O)N1CCCCC1 |r|
O=C(COC(=O)c1c2CCCc2nc2ccccc12)NC1CCCC1
O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)Nc1ccc2OCCOc2c1
O=C(CSc1ncnc2ccccc12)NCCc1ccccc1
O=C(CSc1ncnc2ccccc12)NCc1ccc2OCOc2c1
O=C(CSc1ncnc2ccccc12)NCc1ccco1
O=C(CSc1ncnc2ccccc12)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(CSc1ncnc2sc3CCCc3c12)NCC1CCCO1
O=C(Cc1c[nH]c2ccccc12)NC1CCc2ccccc2C1
O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1
O=C(N[C@@H]1CCc2ccccc2C1)C(=O)O[C@@H]1C=CCc2ccccc12 |r,c:19|
O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
O=C(Nc1sc2CCCCc2c1C#N)c1cc2CCCCc2s1
O=C1CC(c2cccs2)C(C#N)=C2SCN(Cc3ccccc3)CN12 |t:12|
OC(=O)CC(NC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1
OC(=O)CCC(=O)NNC(=O)COc1ccc2ccccc2c1Br
OC(=O)CCSc1ccc2ccccc2n1
OC(=O)COC[C@H]1CC[C@@H](Cn2nc(c(c2SCC#N)-c2ccccc2)-c2ccccc2)CC1 |r,wU:9.9,6.5,(9.46,-2.31,;8.13,-1.54,;8.13,0,;6.79,-2.31,;5.46,-1.54,;4.13,-2.31,;2.79,-1.54,;1.46,-2.31,;.13,-1.54,;.13,0,;-1.21,.77,;-2.54,0,;-2.77,-1.52,;-4.29,-1.78,;-5,-.41,;-3.92,.69,;-4.32,2.18,;-3.23,3.26,;-3.63,4.75,;-4.03,6.24,;-6.49,-.01,;-6.89,1.48,;-8.37,1.87,;-9.46,.79,;-9.06,-.7,;-7.58,-1.1,;-4.69,-3.26,;-6.17,-3.66,;-6.57,-5.15,;-5.48,-6.24,;-4,-5.84,;-3.6,-4.35,;1.46,.77,;2.79,0,)|
OC(=O)CSc1ccc2ccccc2n1
OC(=O)CSc1ccnc2cc(Cl)ccc12
OC(=O)CSc1ncnc2sc3CCCCc3c12
OC(=O)CSc1ncnc2scc(-c3ccccc3)c12
OC(=O)c1cc(nc2ccc(Br)cc12)-c1cccs1
OC(=O)c1ccccc1C(=O)c1cccc2c(Br)cccc12
OC(=O)c1ccccc1SCc1csc(n1)-c1ccccc1
OC(=O)c1ccccc1Sc1ncnc2sc3CCCc3c12
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(N=C(C(C#N)C(C1[n+]1ccccc1)c1cccs1)[C-](C#N)C#N)c1ccccc1 |c:2|
OCCNC(=S)NC(=O)c1sc2ccccc2c1Cl
OCCSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1ccccc1 |r,wU:10.10,13.14,(-2.54,6.04,;-3.63,4.95,;-3.23,3.46,;-4.32,2.37,;-3.92,.89,;-5,-.21,;-4.29,-1.58,;-2.77,-1.32,;-2.54,.2,;-1.21,.97,;.13,.2,;.13,-1.34,;1.46,-2.11,;2.79,-1.34,;4.13,-2.11,;5.46,-1.34,;6.79,-2.11,;8.13,-1.34,;9.46,-2.11,;8.13,.2,;2.79,.2,;1.46,.97,;-4.69,-3.06,;-6.17,-3.46,;-6.57,-4.95,;-5.48,-6.04,;-4,-5.64,;-3.6,-4.15,;-6.49,.19,;-6.89,1.67,;-8.37,2.07,;-9.46,.98,;-9.06,-.5,;-7.58,-.9,)|
OC\C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
OCc1cccc(NC(=S)NC(=O)COc2ccc3ccccc3c2Br)c1
Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O
Oc1ccc2[C@H](c3c(O)c4ccccc4oc3=O)c3c(Oc2c1)c1ccccc1oc3=O
S=c1[nH]cnc2c3ccccc3[nH]c12
S=c1[nH]nc2n1c1ccccc1[nH]c2=S
[#6]-[#6](=O)-[#7]-c1ccc2nc(-[#6])c(-[#6]\[#6]=[#6](\Cl)Cl)c(-[#8])c2c1
[H][C@]12CCCC[C@]1([H])[C@@H](C#N)[C@H](NC(=O)CN1CCCC[C@H]1C)S2 |r|
[H][C@]12CC[C@]([H])(C1)[C@@H](C2)NC(=O)CN1C(=O)c2cccc3cccc1c23 |r|
[H][C@]12CN(C[C@]([H])(C1)c1cccc(=O)n1C2)C(=O)COc1ccc2c(C)c(Br)c(=O)oc2c1 |TLB:9:8:7:3.2.4|
[O-]C(=O)c1cc(nc2ccc(Br)cc12)-c1cccnc1
[O-][N+](=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c(c3)[N+]([O-])=O)c2c1
c1ccc2nc3ccccc3nc2c1