754 SMILES Strings for DNA dC->dU-editing enzyme APOBEC-3A

Compound Name
SMILES String
S=c1[nH]nc([nH]1)C1CCCCC1
Cc1cc(C)n2c(n[nH]c2=S)n1
CCN(CC)C(=O)CSc1ncnc2c(nsc12)-c1cccs1
CCc1c(C)[nH]c(=S)c(C#N)c1C
Nn1c(n[nH]c1=S)-c1cccc(Br)c1
S=c1[nH]nc(-c2ccco2)n1C1CCCCC1
S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1
O=C1CC(c2cccs2)C(C#N)=C2SCN(CN12)c1ccccc1 |t:12|
COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O
Cc1ccc(cc1)-c1csc2n[nH]c(=S)n12
Cc1ccnc(n1)-n1sc2ccccc2c1=O
CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1cccc(C)c1
Clc1ccc2[nH]c(=S)[nH]c2c1
COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
COc1cccc(c1)C(=O)NCc1n[nH]c(=S)n1-c1cccc(C)c1
CCOC(=O)c1cc(C)[nH]c(=S)c1C#N
Cc1ccc(cc1)-c1cn2c(n[nH]c2=S)s1
COCc1cc(C)c(C#N)c(=S)[nH]1
CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1
CC(C)Cn1c(n[nH]c1=S)-c1ccccc1F
CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1
CCn1c(n[nH]c1=S)-c1cccc(Br)c1
CCn1c(CSc2nc3ccccc3[nH]2)n[nH]c1=S
O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12
CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12
[H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7,(14.72,4.09,;14.74,2.55,;13.6,4.07,;14.34,1.07,;13.94,-.42,;15.03,-1.51,;17.16,-.1,;17.56,1.38,;11.67,-.47,;10.64,-1.61,;10.96,-3.12,;9.24,-.99,;9.4,.54,;9.19,2.06,;10.9,.86,;7.91,-1.76,;7.91,-3.3,;6.58,-4.07,;5.24,-3.3,;5.24,-1.76,;6.58,-.99,;5.59,.19,;6.11,1.64,;5.12,2.82,;3.61,2.55,;3.08,1.11,;4.07,-.07,)|
Cn1c(n[nH]c1=S)-c1ccc(cc1)C(C)(C)C
CCn1c(n[nH]c1=S)-c1cccc(Cl)c1
COc1ccc(cc1)-c1n[nH]c(=S)[nH]1
S=c1[nH]nc(-c2ccccc2)n1C1CCCC=C1 |c:18|
C=CCN1C(=NNC1=S)c2cccc(c2)Cl
S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N
Brc1ccc(C=Nn2cn[nH]c2=S)cc1 |w:6.6|
Cn1c(CSc2nc3ccccc3s2)n[nH]c1=S
S=c1[nH]c2CCCCc2cc1C#N
CC1=CC(C=CC1=O)=NOS(=O)(=O)c1ccccc1 |w:8.9,c:4,t:1|
CCn1c(n[nH]c1=S)-c1ccc(Cl)cc1
Brc1ccccc1-c1n[nH]c(=S)[nH]1
COc1cc(ccc1O)C1Nn2c(S1)nnc2-c1ccccc1OC
Oc1ccc(cc1)-c1n[nH]c(=S)[nH]1
COC(=O)C(C)Sc1nnc(S)s1
CCn1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
Cc1[nH]c(=S)c(C#N)c2CCCCc12
COC(=O)CSc1nnc(S)s1
Cc1cc(Cl)ccc1\N=c1\ssnc1Cl
CCN1CCN(CC1)C(=S)c1ccc(Cl)cc1
C=CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S
Cc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:11|
Cc1ccc(C)n1-c1n[nH]c(=S)[nH]1
Clc1nss\c1=N\c1ccc(cc1)C#N
Cn1c(n[nH]c1=S)-c1sc2ccccc2c1Cl
Clc1ccc(cc1)-c1n[nH]c(=S)n1CC1CCCO1
COCCCn1c(n[nH]c1=S)-c1ccc(Cl)cc1
Oc1ccc(cc1O)-c1cn2CCSc2n1
CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S
COC(=O)c1ccc(CSc2nnc(S)s2)o1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1sc2ccccc2c1=O |TLB:8:1:12:6.9.5,THB:2:3:9:1.11.8,2:1:9:3.12.5|
O=c1n(sc2ccccc12)-c1ccccc1
Cc1n[nH]c(=S)n1[N-][CH+]c1ccc(o1)-c1ccccc1[N+]([O-])=O
Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1ccccc1
Cc1n[nH]c(=S)n1N=Cc1ccc(Br)o1 |w:7.7|
S=c1[nH]nc2c3c4CCCCc4sc3ncn12
S=c1[nH]c2CCCCc2c(-c2ccncc2)c1C#N
Cc1nc2[nH]c(=S)[nH]c2cc1Br
COc1ccc(OC)c(c1)\N=c1\ssnc1Cl
Cn1nc(c2cc(sc12)-c1n[nH]c(=S)n1C)C(F)(F)F
Cn1c(n[nH]c1=S)-c1sccc1OCc1ccccc1
CCCCCC(O)CCc1n[nH]c(=S)n1-c1ccccc1
[O-][N+](=O)c1cc2OCOc2cc1[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1
S=c1[nH]nc(Cc2cccs2)n1-c1ccccc1
CCn1c(n[nH]c1=S)-c1cc2c(nn(C)c2s1)C(F)(F)F
Cc1nc(sc1-c1n[nH]c(=S)n1C)-c1ccccc1
S=c1[nH]cnc2c3ccccc3[nH]c12
S=c1[nH]nc(-c2ccccc2)n1N=Cc1cccs1 |w:12.13|
S=c1[nH]nc(-c2cccnc2)n1N=Cc1cccs1 |w:12.13|
Cc1ccsc1C=Nn1c(n[nH]c1=S)-c1ccco1 |w:7.8|
[O-][N+](=O)c1cccc([CH+][N-]n2c(COc3ccccc3)n[nH]c2=S)c1
CCCCn1c(n[nH]c1=S)-c1ccc(cc1)[N+]([O-])=O
Cn1cccc1C=Nn1c(n[nH]c1=S)-c1ccccc1 |w:7.8|
Clc1ccc(NC(=O)c2cccc(c2)N2C(=O)C=CC2=O)c(Cl)c1 |c:18|
Cc1ccc(cc1)-n1sc2ccccc2c1=O
[O-][N+](=O)c1cccc([CH+][N-]n2c(n[nH]c2=S)-c2cccnc2)c1
Cc1cc(n[nH]1)-c1n[nH]c(=S)n1[N-][CH+]c1ccccc1[N+]([O-])=O
Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1cccs1 |w:12.13|
Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1sccc1C |w:12.13|
Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=CC=Cc1ccccc1 |w:12.13,15.17|
Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1ccc(C)s1 |w:12.13|
Cc1cc(n[nH]1)-c1n[nH]c(=S)n1[N-][CH+]c1cccc(c1)[N+]([O-])=O
COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc1OC |w:7.7|
COc1cccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1O |w:8.8|
[O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)-c1cccnc1
CC(NC(=O)c1sc2cc(ccc2c1Cl)[N+]([O-])=O)C(C)(C)C
[O-][N+](=O)c1ccc(cc1)-c1n[nH]c(=S)n1CC=C
Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)s1 |w:6.6|
S=c1[nH]nc(-c2ccco2)n1N=Cc1cccs1 |w:11.12|
Cc1ccc(cc1)-c1n[nH]c(=S)n1N=Cc1ccco1 |w:13.14|
CC(C=Nn1c(n[nH]c1=S)-c1ccco1)=Cc1ccco1 |w:3.3,15.17|
Clc1ccc(cc1)-n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S
Cc1ccsc1C=Nn1c(n[nH]c1=S)-c1ccccn1 |w:7.8|
Cc1cccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)c1 |w:7.7|
S=c1[nH]nc(-c2cccnc2)n1N=CC=Cc1ccccc1 |w:12.13,15.17|
Cc1ccc(C=Nn2c(n[nH]c2=S)-c2cccnc2)s1 |w:6.6|
S=c1[nH]nc(-c2ccncc2)n1N=Cc1ccccc1 |w:12.13|
O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|
[O-][N+](=O)c1ccc([CH+][N-]n2c(n[nH]c2=S)-c2cccnc2)cc1
Cc1cc(no1)-c1n[nH]c(=S)n1-c1ccc(C)c(C)c1
CCc1cc(cs1)-c1n[nH]c(=S)n1CC
CC(C)Cn1c(n[nH]c1=S)-c1csc(C)c1
Cc1cccc(c1)-n1c(n[nH]c1=S)-c1ccco1
CC(C)Cn1c(n[nH]c1=S)-c1sccc1C
Cc1[nH]n(-c2ccccc2)c(=S)c1C=NCCCN=Cc1c(C)[nH]n(-c2ccccc2)c1=S |w:14.16,18.19|
S=c1[nH]nc(COc2ccccc2)n1N=Cc1cccnc1 |w:14.15|
S=c1[nH]nc(COc2ccccc2)n1N=Cc1ccccn1 |w:14.15|
Cc1ccsc1C=Nn1c(n[nH]c1=S)-c1ccncc1 |w:7.8|
COc1ccccc1C=CC=Nn1c(n[nH]c1=S)-c1ccncc1 |w:11.12,8.8|
CC(=C)Cn1c(n[nH]c1=S)-c1cccc(c1)[N+]([O-])=O
Cn1cccc1C=Nn1c(n[nH]c1=S)-c1ccco1 |w:7.8|
Cc1cc(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1
CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccccc1 |w:3.3,16.18|
CCCc1cc(cs1)-c1n[nH]c(=S)n1CC
Cc1ccccc1-n1sc2cc(F)ccc2c1=O
S=c1[nH]nc(COc2ccccc2)n1N=Cc1ccncc1 |w:14.15|
CN(C)c1ccc(C=Nn2c(n[nH]c2=S)-c2cccnc2)cc1 |w:8.8|
S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccncc1 |w:12.13|
S=c1[nH]nc(COc2ccccc2)n1N=Cc1ccco1 |w:14.15|
Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)o1 |w:6.6|
[O-][N+](=O)c1ccc2c(Cl)c(sc2c1)C(=O)NCCCN1CCOCC1
COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc(OC)c1O |w:6.6|
COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
Clc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1ccco1 |w:9.10|
S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccco1 |w:12.13,15.17|
S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccccn1 |w:12.13|
Cc1nn(c(C)c1C=Nn1c(n[nH]c1=S)-c1ccncc1)-c1ccccc1 |w:8.9|
Cn1c(Cn2nnc(n2)-c2ccccc2)n[nH]c1=S
CCn1c(CSCc2ccccc2)n[nH]c1=S
CN1CCN(CC1)C(=S)C(=O)Nc1ccc(Br)cc1
Cc1ccc(cc1Cl)-c1n[nH]c(=S)n1C
CCn1c(Cn2nnc(n2)-c2ccccc2)n[nH]c1=S
S=c1[nH]nc([nH]1)C1COc2ccccc2O1
Sc1nnc(NCCc2ccccc2)s1
Cc1ccc(cc1)-c1n[nH]c(=S)n1N=Cc1ccncc1 |w:13.14|
Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccco1
Clc1ccccc1-c1n[nH]c(=S)[nH]1
CCOc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
COc1ccccc1-n1c(n[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)|
COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)[nH]1
O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1 |c:2|
Fc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1cccnc1 |w:9.10|
CC(=C)Cn1c(n[nH]c1=S)-c1cccs1
COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)n1-c1ccc(C)cc1
COc1cccc2cc(oc12)-c1n[nH]c(=S)n1C
CC1(C)Cc2c(CO1)sc1ncn3c(n[nH]c3=S)c21
CCOc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1
Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(F)c1)c2=O
Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
Cc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1
Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O
Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Br)c(C)c1)c2=O
Cn1c(n[nH]c1=S)-c1csc(n1)-c1ccccc1
COc1ccc(Cc2nnc(S)s2)cc1
COc1ccc(cc1)N1C(=O)CS(=O)C(C1=O)c1ccccc1
CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3|
S=c1cnc2ccccc2[nH]1
Clc1nss\c1=N\c1cccc(c1)C#N
COc1ccc(cc1OC)-c1n[nH]c(=S)[nH]1
CCn1c(C)c(CS(=O)(=O)c2ccccc2)[nH]c1=O
CCOC(=O)c1ccc(cc1)\N=c1\ssnc1Cl
Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(Cl)c1C)c2=O
Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Sc1nnc(NC(=O)Cn2c3ccccc3oc2=O)s1
COc1ccc(OCc2n[nH]c(=S)n2Cc2ccco2)cc1
CCN(CC)c1ccc(C=Nn2c(CC)n[nH]c2=S)cc1 |w:10.10|
Clc1cccc(C=Nn2c(n[nH]c2=S)-c2ccccn2)c1 |w:7.7|
COc1ccc(OCc2n[nH]c(=S)n2N)cc1
CCSc1nnc(S)s1
Clc1ccc(cc1)-n1cc[nH]c1=S
Nn1c(Cc2cccc3ccccc23)n[nH]c1=S
Cc1cccc(C)c1OCc1n[nH]c(=S)n1N
CCN(CC)S(=O)(=O)c1cccc(c1)-c1n[nH]c(=S)n1C
Nn1c(COc2ccc(Cl)cc2)n[nH]c1=S
CC(C)CSc1nnc(S)s1
CCN(CC)S(=O)(=O)c1cccc(c1)-c1n[nH]c(=S)n1CC=C
Nn1c(Cc2ccc(Br)cc2)n[nH]c1=S
Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1
O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
S=c1[nH]c(cn1N=Cc1cccnc1)-c1ccccc1 |w:6.6|
Nn1c(n[nH]c1=S)C1COc2ccccc2O1
CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1 |t:13|
CCSS(=O)(=O)c1cccc2cccnc12
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2C(=O)c2ccccc2)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)CC(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
CC(=O)N1CC[n+]2c1scc2-c1ccc(cc1)[N+]([O-])=O
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|
Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)cc1 |w:6.6|
COc1cccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)c1O |w:8.8|
Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1cccc(O)c1 |w:12.13|
S=c1[nH]nc(-c2cccnc2)n1N=Cc1ccccc1 |w:12.13|
CC(C=Nn1c(n[nH]c1=S)-c1cccnc1)=Cc1ccco1 |w:3.3,16.18|
CC(C=Nn1c(n[nH]c1=S)-c1cc(C)[nH]n1)=Cc1ccco1 |w:3.3,16.18|
COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c(OC)c1OC |w:7.7|
COc1cc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)cc(OC)c1OC |w:6.6|
COc1ccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)cc1 |w:7.7|
COc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
CC(C=Nn1c(n[nH]c1=S)-c1n[nH]c2CCCc12)=Cc1ccco1 |w:3.3,18.21|
Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1ccc(C)o1 |w:12.13|
COc1cccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)c1 |w:8.8|
COc1cccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)c1OC |w:8.8|
COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc1 |w:7.7|
COc1cc(SSc2cc(OC)cc(c2N)[N+]([O-])=O)c(N)c(c1)[N+]([O-])=O
Clc1ccc(C=Nn2c(n[nH]c2=S)-c2ccccn2)cc1 |w:6.6|
Clc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1ccccn1 |w:9.10|
Fc1ccccc1C=Nn1c(n[nH]c1=S)-c1cccnc1 |w:8.9|
S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccccc1 |w:12.13,15.17|
Cc1ccccc1C=Nn1c(n[nH]c1=S)-c1ccccn1 |w:8.9|
Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)s1 |w:6.6|
Cc1cccc(c1)-c1n[nH]c(=S)n1N=Cc1ccco1 |w:13.14|
COc1ccccc1C=CC=Nn1c(n[nH]c1=S)-c1ccccn1 |w:11.12,8.8|
OC(=O)c1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1 |w:8.8|
COc1cc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc(OC)c1O |w:6.6|
S=c1[nH]c(cn1N=Cc1ccncc1)-c1ccccc1 |w:6.6|
COc1cccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1OC |w:8.8|
COc1ccc(OC)c(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1 |w:10.10|
Clc1ccccc1C=Nn1c(n[nH]c1=S)-c1ccncc1 |w:8.9|
Brc1cnc2[nH]c(=S)[nH]c2c1
CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccco1 |w:3.3,16.18|
O=S(=O)(N1CCOCC1)c1cccc(c1)-c1n[nH]c(=S)n1Cc1ccccc1
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|
C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15|
CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
O=c1n(-c2ccccc2)c2n[nH]c(=S)n2c2sc3CCCc3c12
S=c1[nH]nc(-c2cccs2)n1C1CCCCC1
Cc1cc(C)c2c(N)c(sc2n1)-c1n[nH]c(=S)n1CC=C
CCOC(=O)CSc1nnc(S)s1
Cc1[nH]c(=S)c(C#N)c(C)c1CCC#N
S(Sc1ccccn1)c1ccccn1
Brc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccco1
CCc1n[nH]c(=S)n1N=Cc1c(O)ccc2ccccc12 |w:8.8|
Cc1cc(C)nc(SSc2nc(C)cc(C)n2)n1
Cc1n[nH]c(=S)n1N=Cc1c(O)ccc2ccccc12 |w:7.7|
[O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1
Fc1cccc(c1)-c1n[nH]c(=S)n1-c1ccccc1
COc1cc(C=Nn2c(COc3ccccc3)n[nH]c2=S)cc(Br)c1O |w:6.6|
CCOc1ccc(N)c(SSc2cc(OCC)ccc2N)c1
CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
C=CCn1c(OCc2ccccc2)n[nH]c1=S
CN(CC(=O)Nc1nnc(S)s1)S(=O)(=O)c1cccc2cccnc12
S=c1nc(-c2ccccc2)n([nH]1)-c1ccccc1
CCCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Cn1c2n[nH]c(=S)n2c2ccccc2c1=O
CCOCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
C=CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Sc1nnc(NC(=O)c2ccco2)s1
FC(F)Oc1ccc(C=Nn2c(Cc3ccc(Br)cc3)n[nH]c2=S)cc1 |w:9.9|
O=c1n(-c2ccccc2)c2n[nH]c(=S)n2c2ccccc12
[O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C
Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
CCc1ccc(cc1)-n1c2n[nH]c(=S)n2c2ccccc2c1=O
OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
OC(=O)c1cccc(NC(=O)CSc2cnn[nH]2)c1
Clc1cccc(Cl)c1C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:19|
C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Nn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1
O=S(=O)(N1CCOCC1)c1ccc(=S)[nH]c1
Cc1nnc(N=c2ssnc2Cl)o1
COc1cc(\N=c2\ssnc2Cl)c(OC)cc1Cl
Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
Cc1ccc(C)c(c1)-n1sc2ccc(F)cc2c1=O
Fc1ccc(cc1)-n1sc2ccccc2c1=O
Fc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
OC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
CC(C)Cn1c(n[nH]c1=S)-c1cccc(c1)S(=O)(=O)N1CCOCC1
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)nc2)ccc1N1CCCC1
Fc1ccccc1NS(=O)(=O)c1cccc(NC(=S)NCCN2CCOCC2)c1
Cc1nc2nc(C)n(-c3ccccc3)c2s1
CC(=O)Nc1cc(ccc1O)-c1ccccc1
CC(=O)Nc1ccc(s1)-c1ccccc1
O=C(Nc1nc2CCCCc2s1)C1CCCN1C(=O)c1cccs1
CSc1nnc(-c2ccncc2)n1CCCN1CCCC1=O
C[N+]1(C)CCN(CC1)c1ccccc1
CCCCCn1ccc(=N)cc1
OCCNC1=NCCN1 |t:4|
CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
O=C1CC(CC(=O)C1)c1ccco1
C[n+]1ccc(cc1)-c1ccncc1
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1
C[N+]12CCC(CC1)C(C2)(C#N)N1CCOCC1 |TLB:11:7:2.3:6.5,9:7:2.3:6.5|
CCC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)NCc2ccco2)n1C
CCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1
CC(=O)c1c(COC(=O)c2cccnc2)nc2ccccc2[n+]1[O-]
Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccco2)c1
CN(C(=O)CN1C2CCN(C)CC2c2cc(C)ccc12)c1ccccc1
Cc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1
COc1ccc2sc(NC(=O)c3ccco3)nc2c1
CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNCCO)C1=O |w:16.18|
CCOC(=O)C(CCCN(CC)CC)N=O
Cc1ccc(cc1)C(=O)Nc1c(sc(=N)n1CC=C)C#N
C[N+](C)(C)C\C=C1\COCO1
OC(=O)c1ccc(CSc2nnc([nH]2)-c2ccco2)cc1
Cn1nnnc1SCC(=O)Nc1ccc(Br)cc1Cl
CCSCCNC(=O)c1cc(ccc1Cl)-n1cnnc1
COC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2c1
CCc1nc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)no1
COc1ccc2c3ccc(OCC(=O)N4CCC(C)CC4)cc3oc(=O)c2c1
COc1cc(cc(Br)c1OC)C(N)=O
O=C(CSc1nnnn1-c1ccccc1)N1CCc2ccccc12
O=C(NCCOc1ccccc1)c1nnc[nH]1
CC1Cc2c(S1)c1cc(ccc1nc2C)C(O)=O
Clc1cc(NC(=O)CSc2nnnn2-c2ccccc2)ccc1N1CCOCC1
Nc1cc(N)nc(SCC(=O)Nc2ccc(Br)cc2Cl)n1
Cc1nn(-c2nnn[nH]2)c2oc(=O)cc(C)c12
Brc1cnc2cc(nn2c1)C(=O)NCc1ccc2OCOc2c1
COc1ccc(CCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC
CC1CCCC(C1=O)C1(O)C(=O)Nc2ccccc12
O=C(CSC1=NCCS1)NC1CCCCC1 |t:4|
Cc1c(NC(=O)c2cc(ccc2Cl)-n2cnnc2)cccc1-c1nc2ccccc2o1
Cn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccccc1
Clc1ccc(cc1C(=O)NCc1ccc2OCOc2c1)-n1cnnc1
Cn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1
CC(C)Cc1cc(-c2ccco2)c(C#N)c(NC(C)=O)n1
Brc1cnc2cc(nn2c1)C(=O)NCCc1ccccc1
CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cn[nH]c12
Cc1cc(C)cc(c1)N1CC(CC1=O)c1nc2ccccc2n1C
CCOc1ccc(cc1)N(CC(=O)Nc1ccccc1)S(C)(=O)=O
CC(=O)Nc1nnc(SCC(=O)NCCOc2ccccc2)s1
COc1ccccc1N(CC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)c1ccccc1
CC(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
C[N+](C)(C)c1ccccc1
CCOc1ccc(cc1)\N=C1\SCCCN1C
COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC1CCCCC1
CCOC(=O)C1CCN(CC1)C(=O)Cc1cccc2ccccc12
Cc1cc(C)cc(OCC(=O)N2N=C(CC2(O)C(C)(C)C)C(F)(F)F)c1 |c:12|
CCc1nc(no1)-c1ccc(C)nc1OC
O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(N)cc1
CCCCCCNC(=O)c1cc(nc2ccccc12)-c1ccco1
C[N+]1(CC(COCc2ccccc2)OC(=O)Cc2ccccc2)CCOCC1
C[N+]1(CCCOC(=O)C2(CCCC2)c2ccccc2)CCOCC1
C[N+](C)(C)CCOC(=O)C1(CCCC1)c1ccccc1
CCn1c(C)c2c(CC(C)(C)CC2=O)[n+]1CC
COc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(=O)NC(C)C
CCC1=[N+](C)CCn2c(C)ccc12 |c:2|
[#16]-[#6]-1=[#7]-[#6](=O)\[#6](-[#16]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |t:1|
CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
Cc1ccc(C)c(NC(=O)c2nnc[nH]2)c1
Cc1nc(O)c(N=Nc2cccc(c2)C(O)=O)n1-c1ccccc1 |w:6.5|
CCOCc1cnc(C)nc1NCC(=O)c1c(C)[nH]c2ccc(OC)cc12
CCC(=O)Nc1cc(ccc1S(=O)(=O)c1ccc(C)cc1)C(O)=O
C[N+]1(CC(=O)OCCCc2ccccc2)CCOCC1
CCn1c(C)[n+](CC(O)COCC2CCC=CC2)c2ccccc12 |c:15|
COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1
COCc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)c1C#N
C[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1
C[N+]1(CCCCCCC(=O)CN=O)CCCCCC1
CCCC[N+]12CCC(CC1)C(C2)C(=O)c1cccs1 |THB:12:10:5.6:9.8|
CCCCCCCn1ccc(=N)cc1
O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)Nc1nc2CCCCc2s1
[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
CC1(CC(=O)N[NH+]=C[c-]2cc([N+]([O-])=O)c(=O)cc2O)OCCO1 |w:6.5|
C[n+]1cc(-c2ccccc2)n2CCCCCc12
CSCC[C@H](NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1)c1nc2ccccc2[nH]1
OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O
CC(C)C(NC(=O)COc1ccc2ccccc2c1)C(=O)NN=C\C=C\c1ccccc1
COc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)cc1
CC(C)C(NC(=O)c1ccc2OCOc2c1)C(=O)NN=Cc1ccco1
Cc1cc(C(=O)NCc2ccc(o2)C(O)=O)c(C)o1
CCOCc1cnc(C)nc1NCC(=O)c1c(C)[nH]c2cc(C)ccc12
NC(=O)C[n+]1cccc2ccccc12
FC(F)(F)c1ccccc1NC(=O)CSc1ncnc2nc[nH]c12
CC(NC(=O)C(=C\c1c(C)[nH]c2ccccc12)\C#N)c1ccccc1
CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)sc2c1
COc1ccc(CCCC(=O)NC2CCCCC2C)c(C)c1
CN(\C=C\C1=[N+](C)c2ccccc2C1(C)C)c1ccccc1 |c:4|
Cc1n(CC(O)COCc2ccccc2)c2ccccc2[n+]1C
COc1ccc(cc1)C(=O)NC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C
CCCC[N+]12CCC(CC1)C(C2)=C(c1ccccc1)c1ccccc1 |THB:12:10:5.6:9.8|
O=C(COc1ccccc1\C=C1\NC(=O)NC1=O)Nc1ccccc1
Cc1c(NC(=O)c2nnc[nH]2)cccc1-c1nc2ccccc2s1
Cc1cc(N=NCc2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1 |w:4.3|
CC(C)(C)NC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1
Cc1ccc(NNC2=Nc3ccccc3C2=O)cc1 |t:7|
COc1ccc2=NC(=O)C(NO)=c2c1 |c:11,t:5|
C[N+]1(CC(O)COc2ccccc2)CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
CCn1c(\C=C\N(C(C)=O)c2ccccc2)[n+](CC)c2ccc(Cl)cc12
COc1ccccc1NNC1=Nc2ccc(C)cc2C1=O |t:11|
COc1ccc(NNC2=Nc3ccc(C)cc3C2=O)cc1 |t:8|
COc1cccc(c1)C(=O)N\N=C\c1ccc(Oc2ccc(cn2)[N+]([O-])=O)c(OC)c1
CCCCNC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1
Nc1ccc2nc(SCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)sc2c1
C[N+](C)(C)CCCCCC(=O)CN=O
O=C(COc1cccc2cccnc12)NN=Cc1cn(CC#C)c2ccccc12
FC(F)(F)c1ccc2[n+]3CCCCCc3n(CC(=O)Nc3ccccc3)c2c1
[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|
COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC
Fc1ccc(NC(=O)COC(=O)c2cc3CCCc3s2)cc1
FC(F)(F)c1cnc(NC(=O)COC(=O)\C=C\c2ccco2)c(Cl)c1
CC(C)[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21
CCc1cccc(NC(=O)Cn2c3CCCCC[n+]3c3ccc(cc23)C(F)(F)F)c1
FC(F)(F)c1ccc2[n+]3CCCCCc3n(CC(=O)Nc3cccc(c3)C#N)c2c1
CNC(=O)OCc1n(C)cc[n+]1C
Fc1ccccc1-[#16]-c1ccccc1-[#6]\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Cn1c(nc2cc(ccc12)[N+]([O-])=O)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1 |(6.22,12.68,;6.79,11.25,;7.69,10.01,;6.79,8.77,;5.33,9.24,;4,8.47,;2.67,9.24,;2.67,10.78,;4,11.55,;5.33,10.78,;1.33,8.47,;,9.24,;1.33,6.93,;9.23,10.01,;10,8.68,;11.54,8.68,;12.31,10.01,;11.54,11.34,;10,11.34,;10.27,12.86,;9.09,13.85,;9.36,15.37,;10.8,15.89,;11.98,14.9,;11.72,13.39,;13.85,10.01,;14.62,8.68,;16.16,8.68,;16.93,10.01,;16.16,11.34,;14.62,11.34,;9.23,7.34,;7.69,7.34,;6.92,6.01,;7.69,4.67,;9.23,4.67,;10,6.01,)|
CCc1ccc(OCC(=O)NN=Cc2ccco2)c(c1)[N+]([O-])=O
CC1=CC(C)(C)[N+](C)=CN1c1ccccc1 |c:7,t:1|
CCN(CC)C(=O)c1ccc(\C=C\c2c[nH]c3ccccc23)[n+](C)c1
C[n+]1cccc(c1)C(=O)NCC1CCCO1
CCc1ccc(\C=C\c2c[nH]c3ccccc23)[n+](CC)c1
COc1ccc(NC(=O)C(=O)N2N=C3CCCCC3C2(O)C(F)(F)F)cc1 |t:12|
Cc1n(C)c2cc(Cl)ccc2[n+]1Cc1ccccc1
[H]C12CCC(C)(C[N+](C)(C)C1)C2(C)C
[H]C12CCC(C)(C[N+](CC)(CC)C1)C2(C)C
OC(=O)c1cccc(c1)-n1cccc1\C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O
CCn1c(C)[n+](Cc2ccccc2)c2ccc(Cl)cc12
COc1ccc(cc1)C(=O)OCC[N+]1(C)CCOCC1
CC(C)(C)C1CCC(CC1)OC(=O)C[N+]1(C)CCCC1 |(6.04,12.75,;6.04,11.21,;7.58,11.21,;4.5,11.21,;6.04,9.67,;7.37,8.9,;7.37,7.36,;6.04,6.59,;4.7,7.36,;4.7,8.9,;6.04,5.05,;4.7,4.28,;3.37,5.05,;4.7,2.74,;3.37,1.97,;4.52,.94,;2.6,3.31,;1.09,2.98,;.93,1.45,;2.34,.83,)|
CC(=O)Nc1nnc(SCc2ccc(cc2)C(=O)Nc2ccccc2F)s1
CSC1=NCCN1CCOc1ccccc1 |t:2|
COc1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCCC23)cc1OC
C[C@@H]1CC2(C[C@H]1C)CCCC[N+]2(C)C
OC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1cccs1
CC(C1OCC(C[N+]2(C)CCCCC2)O1)c1ccccc1
CCCc1n(CC)c2ccccc2[n+]1CC(O)COC1CCCCC1
C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c1ccccc1
CC1(C)Oc2ccccc2C2OC(C)(CCC12)C#CC[N+]1(C)CCCCC1
C[N+]1(CCOC(=O)C2(CCCC2)c2ccccc2)CCCCC1
OC(=O)c1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1
CC1CC(C)=CC(C)C1C[N+]1(C)CCCCC1 |c:4|
CCOc1cc(\C=C(/C#N)C(=O)NCC2CCCO2)ccc1OCC(N)=O
CCn1c(C)cc(\C=C2/NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1C
[O-][N+](=O)c1ccccc1CC=CN=Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1 |w:13.14,11.12|
Fc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1
OC(=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
OC(=O)c1ccccc1SC1C(=O)CCCC1=O
[H]C12C=CC([H])(C3C1C(=O)N(N\C=C1/C=C(C(=O)C=C1O)[N+]([O-])=O)C3=O)C21CC1 |c:2,15,19,TLB:8:7:26:2.3,THB:24:6:26:2.3|
C[n+]1cc(ccc1\C=C\c1c[nH]c2ccccc12)C(=O)N1CCCCC1
CC(C)CC1CCCCC1OC(=O)C[N+]1(C)CCCCC1
O=C(NCC1CCCO1)C(=C\c1c[nH]c2ccccc12)\C#N
Fc1ccc(CCN2C(=O)NC(=O)\C(=C/c3ccco3)C2=O)cc1
CC(=O)Nc1ccc2c(COC(=O)CC3Sc4ccccc4NC3=O)cc(=O)oc2c1
COc1ccc(cc1CSc1ccccn1)[N+]([O-])=O
CCSCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1C
COc1ccc(cc1)N1CC(CC1=O)C(=O)NCc1ccco1
CCCC[n+]1c(C)sc2cc(OC)ccc12
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(F)c2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|
CCn1c(C)nc2cc(ccc12)S(=O)(=O)Nc1ccc(C)cc1
CNC(=O)C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)\C#N
CC(C)C1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:13|
CCn1c(C)[n+](CC)c2ccc(cc12)S(=O)(=O)NC
[H]C12CCC([H])(C1OC(C)=O)C(CC2)[N+]1(C)CCCCC1 |TLB:14:11:6:3.2|
CC(C)(C)OC(=O)N1CC(O)CC1C(=O)OCC(=O)c1ccc(cc1)-c1ccccc1
COc1ccccc1-c1noc(CSc2nc(C)cc(=O)[nH]2)n1
[#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cccc(Br)c1
CC1=CC(C)(C)[N+](C)(C)c2ccc(C)cc12 |t:1|
CC(C)C1CCC(C)CC1OCC(O)C[N+]1(C)CCCCC1
Cc1ccc(CCCOC(=O)C[N+]2(C)CCCCC2)cc1
CC(C)[N+](C)(C)CC(O)CN(c1ccccc1)c1ccccc1
CCc1n(CC(O)COCC2CCC=CC2)c2ccccc2[n+]1C |c:13|
CC1=CC(C)(C)[N+](C)(C)c2ccccc12 |t:1|
C[N+]1(CC(=O)OCCCc2ccccc2)CCCCC1
CC(C)(C)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
CCc1n(CC(O)COC2CCCCC2)c2ccccc2[n+]1C
CC(=O)OCCCCCCCCCCC[N+]1(C)CCCCC1
CC(=O)OCCCn1c(C)[n+](C)c2cc(Cl)c(Cl)cc12
[H]C12CCCC([H])(C1O)C(CC2)[N+]1(C)CCCCC1 |TLB:12:9:7:4.2.3|
O=C(CSc1ccccn1)Nc1cccc2ccccc12
CCOc1ccc2C(C)=CC(C)(C)[N+](C)(C)c2c1 |c:8|
C[N+]1(CC2COC(O2)c2ccco2)CCCCC1
CCn1ncc(c1C)-c1ccnc2cc(nn12)C(O)=O
NC(=O)C[N+]1(CC#CC(O)(c2ccccc2)c2ccccc2)CCCC1
CCOC(=O)Cn1c(C)[n+](C)c2cc(Cl)c(Cl)cc12
CC1CC2(C)C3=C(CCCC3)CC[N+]2(C)C1 |t:5|
Cc1ccccc1\C=C\c1cc[n+](C)cc1
CC[C@]12C=CCN3CCC4(C(N(C)c5cc(OC)c(Br)cc45)[C@](O)([C@@H]1OC(C)=O)C(=O)OC)C23 |c:3|
CC1C[N+](C)(C)C(C)CC1(O)C#CC=C
CCC(CO)(C(=O)OC1C[N+]2(C)CCC1CC2)c1ccccc1 |TLB:7:8:12.13:16.15|
CCc1n(CC(O)COCc2ccccc2)c2ccccc2[n+]1C
CCn1c(C)[n+](Cc2ccccc2)c2ccc(cc12)C(=O)OC
COc1ccc(\C=N\NC(=O)C(C)Sc2ccccn2)cc1[N+]([O-])=O
C[N+](C)(C)CCCNC(=O)c1ccc(CN=O)nc1
CCCCCCCCn1c(C)[n+](-c2ccccc2)c2ccc(NC(C)=O)cc12
CN(C)c1cccc(c1)C(=O)NN=Cc1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O |w:12.12|
CC[n+]1cccc(c1)-c1nc2ccccc2s1
Cn1nc(nc1S(C)(=O)=O)[N+]([O-])=O
[H]C12CCC([H])(CC(C1)OC(=O)c1ccccc1)[N+]2(C)C
C[N+]12CCCCC1[C@@H](CO)CCC2
CCN1\C(Sc2ccccc12)=C\c1cc[n+](CCCS([O-])(=O)=O)c2ccccc12
Cc1nc2ccc(NC(=O)C3COc4ccccc4O3)cc2s1
Cc1ccc(CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1
CCCc1n(CC(O)COCc2ccccc2)c2ccccc2[n+]1C
OC(=O)c1cccc(c1)-n1cccc1\C=C1\NC(=O)N(Cc2ccccc2F)C1=O
[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:4|
[O-][N+](=O)c1ccc(C[n+]2cccc3ccccc23)cc1
FC(F)(F)c1cccc(Cn2c3CCCCC[n+]3c3ccc(cc23)C(F)(F)F)c1
CCN(CC)P(N(CC)CC)c1n(C)cc[n+]1C
[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |c:4|
Cc1ccc[n+](CC(=O)Nc2cc(ccc2N2CCOCC2)C(F)(F)F)c1
[H]C12CC3([H])CC([H])(C1)CC(CC(=O)NN=Cc1ccc[n+](C)c1)(C2)C3 |w:15.15,TLB:8:1:25:6.9.5,8:6:25:1.24.2,THB:5:6:24:3.25.2|
C=CC[n+]1c2CCCCCn2c2ccccc2c1=O
COc1ccc(cc1)-n1c(C)cc(C(=O)C[N+]23CCN(CC2)CC3)c1C
Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)Cc1ccco1
Oc1ccccc1C=N[n+]1ccccc1 |w:8.9|
COC(=O)C[n+]1cccc2ccccc12
[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|
C[N+](C)=c1ccn(CC(=O)Nc2ccc(OC(F)F)cc2)cc1 |(9.34,15.4,;9.34,13.86,;10.67,13.09,;8,13.09,;8,11.55,;6.67,10.78,;5.33,11.55,;4,10.78,;4,9.24,;5.33,8.47,;2.67,8.47,;2.67,6.93,;1.33,6.16,;1.33,4.62,;2.67,3.85,;2.67,2.31,;1.33,1.54,;1.33,,;,2.31,;4,4.62,;4,6.16,;5.33,13.09,;6.67,13.86,)|
COc1ccc2[nH]c(=O)c(CN(C(C)C)C(=O)c3ccco3)cc2c1
CCCC[N+]12CCC(CC1)C(C2)C(O)(c1ccccc1)c1ccccc1 |THB:12:10:5.6:9.8|
[H]C12CC[N+](CC1)(CC2C(O)(c1ccccc1)c1ccccc1)C(C)C |THB:9:8:3.2:5.6,(6.05,3.28,;5.56,4.74,;1.72,3.05,;2.49,1.71,;5.16,3.25,;7.98,2.08,;8.38,3.57,;3.65,6.05,;4.99,6.82,;5.38,8.3,;6.87,7.91,;3.9,8.7,;3.5,10.19,;2.01,10.59,;.92,9.5,;1.32,8.01,;2.81,7.61,;5.78,9.79,;7.27,10.19,;7.67,11.68,;6.58,12.77,;5.09,12.37,;4.69,10.88,;4.76,1.76,;5.85,.68,;3.67,.68,)|
CCCCCn1c2CCCc2c(=N)c2ccccc12
CCCn1c2CCCc2c(=N)c2CCCc12
CC[N+](C)(CC)CC(=O)OCC1C(C)CC(C)=CC1C |c:16|
CC(C[N+](C)(C)C)OC(=O)C1(CCCC1)c1ccccc1
COC(=O)CCCCCCCCC(O)C[N+]1(C)CCOCC1
Cn1ccccc1=Nc1cccc[n+]1C
Cc1ccn(C)c(=N)c1
CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
Nc1nc2CCCCCCCCCCc2s1
Nc1ccc(Nc2ccccc2)c(c1)S(O)(=O)=O
CC(C)[N+](C)(C)CC#CC(O)(c1ccccc1)c1ccccc1
C[N+](C)(C)CCCN(Cc1ccc2OCOc2c1)C(=O)NC1CCCCC1
CCCc1nc(no1)-c1cc2cc(C)ccc2[nH]c1=O
CC1CCCCC1NC(=O)CSc1nnc(CNC(=O)COc2c(C)cccc2C)n1C
CCn1c(SCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)nc2ccccc2c1=O
CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1
CC(=O)OC(COC1C[C@@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 |TLB:6:7:14:11.10|
Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc12
CSc1nnc(SCc2nc3sc(C(O)=O)c(C)c3c(=O)[nH]2)s1
CC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(O)=O
[O-][N+](=O)c1cc2OCOc2cc1CN=Nc1[nH+]c2ccccc2c(=O)[n-]1 |w:14.16|
Cc1cc(ccc1-c1ccc(\C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)o1)C(O)=O
Cn1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc12
COc1ccc(cc1)C(CC(=O)N1CCCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
COc1ccc(cc1)C(CC(=O)N1CCOCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
CC(C)C(CO)N1CCN(Cc2ccccc2)CCC1=O
COC(=O)c1ccccc1NC(=O)c1cc[n+](C)cc1
Cc1cc(nc2c(Br)c(nn12)C(O)=O)-c1ccccc1
[O-][N+](=O)c1ccccc1[CH+][N-]NC1=[NH+]CC[N-]1 |t:13|
COc1cc(\C=C(\C#N)C(=O)NCCCc2ccccc2)ccc1OCC(O)=O
CC1(C)Oc2ccc3ccc(=O)oc3c2C(CN=O)=C1Cl |c:20|
C[n+]1ccc(cc1)C(=O)NCc1ccccc1
C[n+]1ccc(cc1)C(=O)Nc1ccccc1Cl
Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
COC(=O)Cn1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12
CC[n+]1ccc(\C=C\c2c[nH]c3ccccc23)cc1
CCN(CC)C(=O)Cn1c(C)c(\C=C\c2cc[n+](C)cc2)c2ccccc12
C[N+]1(CC(O)c2ccccc2)CCCCCC1
COc1ccccc1NC(=O)c1cc[n+](C)cc1
Cc1[n+](C)c(Cc2ccccc2)cc2ccccc12
C[n+]1ccccc1\C=C\c1ccc2ncccc2c1
C[n+]1ccccc1\C=C\c1ccccc1Cl
Cc1cccc(c1)C(=O)Nc1ccc(cc1C)S(=O)(=O)N1CCOCC1
Cc1cccnc1NC(=O)CN1C(=O)COc2ccc(Cl)cc12
C[n+]1ccccc1\C=C1/Sc2ccccc2N1CCO
CCOC(=O)COc1ccc(Br)cc1C=C1SC(N)=NC1=O |w:14.14,c:19|
Cc1ccc(C)c(NC(=O)c2cc[n+](C)cc2)c1
CN(C)S(=O)(=O)c1ccc(o1)C(=O)NCC[N+]1(C)CCCCCC1
CN1C(=O)S\C(=C/c2cc(C)n(c2C)-c2ccc(cc2)S(N)(=O)=O)C1=O
COc1cccc(c1)N1[C@@H](CC(O)=O)c2ccc(\C=C\C(O)=O)cc2S1(=O)=O
COC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccc(cc2C)C(O)=O)C1=O
[O-][N+](=O)c1ccc2nc(sc2c1)N1CCCC1
COc1ccc2c(\C=C\c3cc[n+](C)cc3)c[nH]c2c1
CCn1nc(NC(=O)COC)c2cc3cc(C)ccc3nc12
COc1ccc(\C=C2\N(C)C(=O)CNC2=O)cc1
CC(C)CC[n+]1ccccc1\C=C\c1ccc(cc1)N(C)C
CC[n+]1cc(C)ccc1\C=C\c1ccc(cc1)N(C)C
Cc1ccc2[nH]cc(\C=C\c3cc[n+](C)cc3)c2c1
CCCn1nc(NC(=O)COC)c2cc3cc(C)ccc3nc12
CCCCn1nc(NC(=O)COC)c2cc3ccc(C)cc3nc12
OC(=O)c1ccc(COc2ccc(\C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1
CC(=O)OC(C[N+]1(C)CCCCCC1)c1ccccc1
COCc1cc(C)nc(Sc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1C#N
OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1ccc(OCC=C)cc1
COc1ccc(Oc2coc3cc(OC(C)C(O)=O)ccc3c2=O)cc1
CCOC(=O)c1ccc2Sc3ccccc3C(=O)N(C)c2c1
CN(C)CCCNc1c2ccccc2nc2ccccc12
CN(C)c1ccc(\C=C\c2ccc(C)c[n+]2C)cc1
CCOC(=O)c1ccc2Sc3ccccc3C(=O)N(CC)c2c1
COc1ccccc1CCNC(=O)C1CCN(CC1)C(=O)\C=C\c1ccccc1
CC(C)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
C[n+]1cccc(c1)C(=O)Nc1ccccc1
CC(NC(=O)C[n+]1cccc(c1)C(C)=O)c1ccccc1
COc1cc(cc(OC)c1OC)\[NH+]=c1/ccccn1C
CN(C)CC1CCCCC1OC(=O)Cc1ccc(Cl)c(c1)[N+]([O-])=O
Cc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)s1 |w:5.4,c:17|
COc1cccc(NC(=O)c2ccc[n+](C)c2)c1
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(ccc1Cl)S(C)(=O)=O
Cc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)c(C)c1
CCN1C(NCc2ccc(OC)cc2)=N[C@H](C(C(=O)OC)=C1C)c1ccccc1 |c:14,21|
COC(=O)C1=C(C)N(Cc2ccccc2)C(N[C@H]1c1ccccc1)=NCC(C)C |w:24.27,c:4|
CCN1C(C)=C([C@@H](NC1=NCCN1CCOCC1)c1ccccc1)C(=O)OC |w:9.10,c:4|
CCN1C(C)=C([C@@H](N=C1NCCOC)c1cccc(F)c1)C(=O)OC |c:4,7|
CCN1C(NCCOC)=N[C@@H](c2cccs2)C(C(=O)OC)=C1C |c:8,21|
CCN1C(C)=C([C@@H](N=C1NCC=C)c1ccccc1)C(=O)OC |c:4,7|
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccnc2)=N[C@H]1c1ccccc1 |c:4,26|
CCN1[C@H](C)[C@H]([C@H](CCc2ccccc2)N=C1NCCOC)C(=O)OC |c:16|
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCCO)=N[C@H]1CCc1ccccc1 |c:4,22|
COCCN1C(NCCCOC(C)C)=N[C@H](C(C(=O)OC)=C1C)c1ccccc1 |c:13,20|
COCCNC1=N[C@H](C(C(=O)OC)=C(C)N1Cc1ccccc1)c1ccc(Br)cc1 |t:5,12|
CCN1C(C)=C([C@@H](NC1=NCC1CC1)c1cccc(c1)C(F)(F)F)C(=O)OC |w:9.10,c:4|
CCN1C(C)=C([C@@H](N=C1NCCCCO)c1cccc(F)c1)C(=O)OC |c:4,7|
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2ccccn2)=N[C@H]1c1cccc(F)c1 |c:4,26|
CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |c:7|
CCN1C(C)=C([C@@H](N=C1N(C)CCc1cccs1)c1ccccc1)C(=O)OC |c:4,7|
COC(=O)C1=C(C)N(CC2CC2)C(N[C@H]1c1ccccc1)=NCCN1CCOCC1 |w:21.24,c:4|
CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1cccnc1)c1ccccc1)C(=O)OC |c:7|
CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1cccs1)c1ccccc1)C(=O)OC |c:7|
CCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O
COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1
COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2[N+]([O-])=O)c(OC)c1
Cc1ccc(NC(=O)C2CCCN2C(=O)c2cccs2)c(C)c1
Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc23)c1
CCC(Oc1ccccc1OC)C(=O)Nc1ccc2OCCOc2c1
C[n+]1cccc(c1)C(=O)NN=Cc1ccc2OCOc2c1
COc1cc(\C=C\c2cccc[n+]2C)ccc1OCC(=O)Nc1cccc(Cl)c1
COc1cc(\C=C\c2cccc[n+]2C)ccc1OCC(=O)Nc1ccccc1C
CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1C(=O)NCC=C
CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2N(C)C(=O)Cc2c1
Oc1ccc(cc1P(=O)(c1ccccc1)c1ccccc1)S([O-])(=O)=O
CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccn1
COc1ccccc1OC(C)C(=O)N1CCC(Cc2ccccc2)CC1
COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccccc1
Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c1
Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2)c(C)c1
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCCO)=N[C@H]1c1ccccc1 |c:4,22|
COC(=O)C1=C(C)N(CC2CC2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1 |c:4,28|
COc1ccccc1OC(C)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
COc1ccc(NC(=O)COc2ccc(\C=C\c3cc[n+](C)cc3)cc2OC)cc1
Clc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(Cl)c1
COCCN1C(C)=C([C@@H](N=C1NCC=C)c1ccccc1)C(=O)OC |c:6,9|
CCN1C(C)=C([C@@H](N=C1NCCCCO)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
CCN1C(C)=C([C@@H](N=C1NCC=C)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
Clc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccncc2)cc1Cl
CN1CCCN(CC1)S(=O)(=O)c1ccccc1
CCN1CCN(CC1)c1ccc(cc1NC(=O)COc1ccc(F)cc1Cl)S(=O)(=O)N1CCCCC1
CN(CC(=O)Nc1ccc(Br)cc1C)C(=O)Cn1c2ccccc2ncc1=O
COc1cccc(CNC(=O)c2cccc(c2)S(=O)(=O)N2CCN(C)CC2)c1
Nn1c(SCC(=O)Nc2ccc3OCCOc3c2)nnc(CCC(O)=O)c1=O
CN1CCN(CC(=O)Nc2sc3CCCCc3c2C(=O)Nc2ccccc2)CC1
N=C1N2N=C(CC(=O)N3CCCC3)SC2=NC(=O)\C1=C/c1ccco1 |c:16,t:3|
O=C(CSc1nc2sccc2c(=O)[nH]1)N1CCN(CC1)c1ccccc1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2C)cc1
Cn1c2ccccc2c2cc(C=NNC(=O)c3cc(O)cc(O)c3)ccc12
CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1
CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1
CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCN(CC)CC1
COc1ccc(CN2CCNCC2)c(OC)c1OC
C\C(Nc1cc(C)cc(C)c1)=[N+](\C)CCNS(=O)(=O)c1ccc(Cl)cc1
CCN1CCN(CC1)c1ccc(cc1NC(=O)\C=C\c1ccc(F)cc1)S(=O)(=O)N1CCCCC1
CC(=O)c1cccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1
CC(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1
CCN1CCN(CC1)c1ccc(cc1NC(=O)Cc1ccccc1)S(=O)(=O)N1CCCCC1
CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)C=Cc1ccco1 |w:17.17,c:11|
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
CCOc1ccccc1OCC(=O)Nc1cc(ccc1N1CCN(CC)CC1)S(=O)(=O)N1CCCCC1
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(c1)-n1cccc1
CCc1noc(C)c1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(C)CC1
CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(C)C(c1ccccc1)c1ccccc1
CC(Oc1ccc(F)cc1)C(=O)Nc1cc(ccc1N1CCN(C)CC1)S(=O)(=O)N1CCOCC1
CCN1CCN(CC1)c1ccc(cc1NC(=O)c1c(C)onc1CC)S(=O)(=O)N1CCOCC1
CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(c1)C(F)(F)F)S(=O)(=O)N1CCCCC1
COCCN(C(=O)COC(=O)CNC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CCCCn1c(N)c(N(CCOC)C(=O)c2cc(nc3ccccc23)-c2ccc(OC)c(OC)c2)c(=O)[nH]c1=O
CCN1CCN(CC1)c1ccc(cc1NC(=O)COc1ccc(cc1)C(=O)CC)S(=O)(=O)N1CCCCC1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1
CCN1CCN(CC1)c1ccc(cc1NC(=O)C(C)Oc1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1N1CCOCC1
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(c1)-n1cccc1
Cc1ccc(o1)C(=O)Nc1cc(Cl)ccc1-n1cncn1
CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(OC(F)F)cc1)S(=O)(=O)N1CCCCC1
CCN1CCN(CC1)c1ccc(cc1NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)N1CCOCC1
CCN1CCN(CC1)c1ccc(cc1NC(=O)\C=C\c1ccc(OC(F)F)cc1)S(=O)(=O)N1CCCCC1
CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)cc1
CCOc1ccc(OCCCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
CN1CCN(CC1)c1ccc(Cl)cc1NC(=O)CC1OC(=O)c2ccccc12
Fc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
CO[C@]1(NC(=O)C2SC(S2)=C(C(N)=O)C(O)=O)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |wU:17.32,2.2,wD:2.1,c:30,(12.4,-3.66,;13.74,-2.89,;13.74,-1.35,;15.28,-1.35,;16.05,-2.69,;15.27,-4.02,;17.59,-2.69,;17.59,-1.15,;19.13,-1.15,;19.13,-2.69,;20.22,-.07,;21.71,-.47,;22.8,.62,;22.1,-1.96,;19.82,1.42,;20.92,2.51,;18.34,1.82,;12.19,-1.34,;10.85,-2.11,;9.52,-1.34,;9.52,.2,;8.18,.97,;6.85,.2,;5.52,.97,;4.11,.34,;3.08,1.48,;3.85,2.82,;5.36,2.5,;6.5,3.53,;10.85,.97,;12.19,.2,;13.74,.2,;14.83,1.29,;10.85,2.51,;9.52,3.28,;12.19,3.28,)|
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1C
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C2NS(=O)(=O)C=CN2C=CC1 |c:14,20,24|
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1ccccc1F
CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1
NS(=O)(=O)c1cc(ccc1Cl)C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
Cc1ccc(C)c(OCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1
CCN1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1C
CC(C)(C)c1ccc(NC(=O)C2=CN3C=CS(=O)(=O)NC3C=C2)cc1 |c:14,22,t:11|
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1CCCCC1
COc1cc(C)c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1OC
CC(=O)Nc1ccc(Nc2cc(C)nc(Nc3ccc(NC(C)=O)cc3)n2)cc1
Fc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1
COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cn1
O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1N1CCCC1=O
COc1ccccc1NC(=O)COC(=O)c1cc2CCCc2s1
COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)CN1C(=O)NC2(CCCCC2)C1=O
OC(=O)C(=C/c1ccc(Cl)c(c1)[N+]([O-])=O)\c1ccc(s1)S(=O)(=O)N1CCCC1
COc1ccc(C)cc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O
CCN1C(C)=C([C@@H](NC1=NCC1CC1)c1ccccc1)C(=O)OC |w:9.10,c:4|
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCOC(C)C)=N[C@H]1c1ccccc1 |c:4,24|
CCN1[C@H](C)[C@H]([C@@H](NC1=NCC1CC1)c1ccccc1)C(=O)OC |w:9.10|
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCC(C)C)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,21|
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccccc1 |c:4,27|
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccnc2)=N[C@H]1c1ccc(Br)cc1 |c:4,26|
CCN1[C@H](C)[C@H]([C@@H](N=C1NCCOC)c1ccccc1)C(=O)OC |c:7|
CCN1[C@H](C)[C@H]([C@@H](N=C1NCCCOC(C)C)c1ccccc1)C(=O)OC |c:7|
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCCO)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,22|
CCN1C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H](C(C(=O)OC)=C1C)c1ccccc1 |c:18,25|
CCN1C(C)=C([C@@H](N=C1NCCOC)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
CCN1[C@H](C)[C@H]([C@H](CCc2ccccc2)N=C1NCCCOC(C)C)C(=O)NCCCOC(C)C |c:16|
Cn1cnc(C(=O)N2CCN(CC2)c2ccccc2)c1C(=O)N1CCN(CC1)c1ccccc1
CN(Cc1ccccc1)C(=O)c1ncn(C)c1C(=O)N(C)Cc1ccccc1
Cc1ccc(CNC(=O)CCNC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
CC1CCN(CC1)C(=O)c1ncn(C)c1C(=O)N1CCC(C)CC1
CCN(CC)C(=O)c1ncn(C)c1C(=O)N(CC)CC
OC(=O)Cc1ccc(s1)S(=O)(=O)N1CCCC1
O=C(OCC(=O)N1CCCCC1)\C=C\c1ccco1
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)\C=C\c1ccco1
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
CCCCN(C(=O)c1cnccn1)c1c(N)n(CCC)c(=O)[nH]c1=O
[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)[NH+]=C1[N-]CCS1 |w:21.22|
CSc1ccccc1NC(=O)CN(C)CC(=O)c1[nH]c(C)c(C(C)=O)c1C
COc1ccc(Br)cc1CN(C)C(=O)C1=C2NS(=O)(=O)C=CN2C=CC1 |c:15,21,25|
Cc1ccc2N(C3CC[N+](C)(CC(=O)c4ccc(Cl)cc4Cl)CC3c2c1)C(=O)c1ccc(F)cc1
Clc1c(nn2cccnc12)C(=O)NCc1ccc2OCOc2c1
Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:11|
CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Cc1ccc(C)n1Cc1ccc(cc1)C(O)=O
Cl[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)ccc-12
CN(Cc1ccccc1)C(=O)c1cc2ncc(Br)cn2n1
CN(Cc1ccccc1)C(=O)c1nn2cccnc2c1Cl
Cc1cc(C)n2nc(C(=O)NCc3ccccc3)c(Br)c2n1
Cc1nc2sc3CCCCc3c2c2n[nH]c(=S)n12
CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12
Cc1ccc(cc1)-c1csc2nnc(SCCOc3ccccc3)n12
Cc1ccc(cc1)-c1csc2nnc(SCC(N)=O)n12
CCCn1c2nnc(SC)n2c2ccccc2c1=O
CCc1nc2sc3CCCCc3c2c2nnc(SC)n12
OC(=O)c1cc2nccc(-c3cccs3)n2n1
OC(=O)c1cc2ncccn2n1
Brc1cnc2cc(nn2c1)C(=O)NCc1ccccc1
Cc1c(cnn1C)-c1ccnc2cc(nn12)C(O)=O
CCc1nc2sc3CC(C)CCc3c2c2nnc(SC)n12
CCc1nc2sc3CC(C)CCc3c2c2n[nH]c(=S)n12
Cc1ccc(o1)-c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1