ID
large_stringlengths
1
7
smiles
stringlengths
15
57
selfies
stringlengths
55
294
safe
stringlengths
15
83
13767
O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnccn1
[O][=C][Branch2][Ring1][#Branch1][N][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][=C][N][=C][C][=N][Ring1][=Branch1]
c17ccc(F)cc1.c14cnn6c1.c15cnccn1.O=C35.N34.C67
13769
O=C(Nc1cccnc1)c1ccc2snnc2c1
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]
c15ccc2snnc2c1.c14cccnc1.O=C35.N34
13770
C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ncccn1
[C][=C][C][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][=C][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1]
n15c(N)cc(=O)nc16.c14ncccn1.C3C2=O.C=CC5.S36.N24
13771
Cn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1
[C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
Cn1cnc2c1c(=O)[nH]c(=O)n23.c14ccccc1.C34
13774
O=S(=O)(Nc1ccc2c(c1)CCC2)c1cccc2cccnc12
[O][=S][=Branch1][C][=O][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1]
O=S3(=O)c1cccc2cccnc12.c14ccc2c(c1)CCC2.N34
13776
Cc1ccc(F)cc1NS(=O)(=O)c1cccc2cccnc12
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1]
S3(=O)(=O)c1cccc2cccnc12.Cc1ccc(F)cc14.N34
13777
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc(C)c1C
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][C][=C][Ring1][S][C]
S5(=O)(=O)c1ccccc1.c17c6sc(C)c1C.C37=O.CC4.O34.N56
13780
COc1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
n15cc2c(=O)n(C)c(=O)n(C)c2c1.c14ccc5cc1.CO4
13781
Cn1c(=O)c2cn(-c3ccc(Cl)cc3)cc2n(C)c1=O
[C][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O]
Cn1c(=O)c2cn4cc2n(C)c1=O.c14ccc(Cl)cc1
13782
Cn1c(=O)c2cn(-c3ccc(O)cc3)cc2n(C)c1=O
[C][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O]
Cn1c(=O)c2cn4cc2n(C)c1=O.c14ccc(O)cc1
13783
CCc1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
n15cc2c(=O)n(C)c(=O)n(C)c2c1.c14ccc5cc1.CC4
13784
Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O
[C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O]
Cn1c(=O)c2c5n4cc2n(C)c1=O.c15ccccc1.C4(C)(C)C
13785
CCOC(=O)Cn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C
[C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C]
n15cc2c(c16)c(=O)n(C)c(=O)n2C.c16ccccc1.C3(=O)C5.CC4.O34
13786
Cn1c(=O)c2c(-c3ccccc3)n(-c3ccc(O)cc3)cc2n(C)c1=O
[C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][N][Branch1][C][C][C][Ring2][Ring1][Branch2][=O]
Cn1c(=O)c2c5n4cc2n(C)c1=O.c14ccc(O)cc1.c15ccccc1
13787
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2)cc1
[C][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]
c15c2c(=O)n(C)c(=O)n(C)c2cn14.Cc1ccc5cc1.c14ccccc1
13788
CC(=O)c1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
n16c(C)c5c2cc(O)ccc21.c14ccc6cc1.CC4=O.C5(C)=O
13789
COc1cc(C)c(S(=O)(=O)N2CCc3ccccc3C2)cc1C
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C]
c14cc(C)c(S5(=O)=O)cc1C.N15CCc2ccccc2C1.CO4
13790
COc1cc(S(=O)(=O)N2CCc3ccccc3C2)c(C)cc1C
[C][O][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][C]
c14cc(S5(=O)=O)c(C)cc1C.N15CCc2ccccc2C1.CO4
13792
COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccccc2C1
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]
c13ccc(Cl)cc1S4(=O)=O.N14CCc2ccccc2C1.CO3
13794
CCCC(=O)n1nc(-c2ccc(OC)cc2)nc1N
[C][C][C][C][=Branch1][C][=O][N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring1][=N][N]
CCCC(=O)n1nc4nc1N.c14ccc3cc1.O3C
13795
COc1ccc(-c2nc(N)n(C(=O)Cc3ccccc3)n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=C][Branch1][C][N][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1]
c16nc(N)n(C(=O)C5)n1.c14ccc6cc1.c15ccccc1.CO4
13796
COc1ccc(-c2nc(N)n(C(=O)c3ccccc3)n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][=C][Branch1][C][N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2]
c16nc(N)n(C5=O)n1.c14ccc6cc1.c15ccccc1.CO4
13797
COc1ccc(-c2nc(N)n(C(=O)c3ccc(F)cc3)n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=C][Branch1][C][N][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1]
c16nc(N)n(C5=O)n1.c14ccc6cc1.c15ccc(F)cc1.CO4
13798
COc1ccc(-c2nc(N)n(C(=O)c3ccc(C)cc3)n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=C][Branch1][C][N][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1]
c16nc(N)n(C5=O)n1.c14ccc6cc1.c15ccc(C)cc1.CO4
13799
COc1ccc(C(=O)n2nc(-c3ccc(OC)cc3)nc2N)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring1][=N][N][C][=C][Ring2][Ring1][=Branch1]
C6(=O)n1nc7nc1N.c14ccc6cc1.c17ccc5cc1.CO4.O5C
13800
COc1ccc(-c2nc(N)n(C(=O)c3ccccc3OC)n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][=C][Branch1][C][N][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1]
c17nc(N)n(C6=O)n1.c14ccc7cc1.c16ccccc15.CO4.O5C
13801
COc1ccc(-c2nc(N)n(C(=O)c3ccco3)n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][C][N][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1]
c16nc(N)n(C5=O)n1.c14ccc6cc1.c15ccco1.CO4
13802
NC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1
[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring1][N]
c16ccccc14.c17cccc(Cl)c1.c15ccc7o1.NC6=O.C35=O.N34
13803
COC(=O)c1sc2nc(-c3ccco3)cc(C(F)(F)F)c2c1N
[C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#C][C][=Ring2][Ring1][C][N]
c15sc2nc7cc6c2c1N.c17ccco1.C6(F)(F)F.C45=O.CO4
13804
CC1(C)Cc2nc3sc4c(=O)n(CC(N)=O)cnc4c3cc2CO1
[C][C][Branch1][C][C][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=N][C][=Ring1][O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][C][O][Ring2][Ring1][#Branch1]
CC1(C)Cc2nc3sc4c(=O)n5cnc4c3cc2CO1.C5C(N)=O
13805
C=CCn1c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O
[C][=C][C][N][C][Branch1][C][C][=N][C][=C][Branch2][Ring1][#Branch2][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=O]
n15c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O.C=CC5
13806
COc1ccc(-c2nc3nc(C)cc(C)n3n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][=C][Ring1][P]
c15nc2nc(C)cc(C)n2n1.c14ccc5cc1.CO4
13807
CCOC(=O)c1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][=C][Ring2][Ring1][Ring2]
C18Cc2ccccc2C(=O)O1.c19ccc7cc1.C49=O.C58=O.CC6.O46.N57
13808
COc1ccccc1NC(=O)C1Cc2ccccc2C(=O)O1
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O]
C16Cc2ccccc2C(=O)O1.c14ccccc15.C36=O.CO4.N35
13809
Cc1ccccc1NC(=O)C1Cc2ccccc2C(=O)O1
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O]
C15Cc2ccccc2C(=O)O1.Cc1ccccc14.C35=O.N34
13810
O=C(Nc1ccccc1)N1CCCCC1c1cccnc1
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
N13CCCCC15.c14ccccc1.c15cccnc1.O=C23.N24
13811
O=C(Nc1ccc(F)cc1F)N1CCCCC1c1cccnc1
[O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
c14ccc(F)cc1F.N13CCCCC15.c15cccnc1.O=C23.N24
13812
COc1ccc(NC(=O)N2CCCCC2c2cccnc2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]
c15ccc6cc1.N14CCCCC17.c17cccnc1.C34=O.CO5.N36
13814
C=C(C)c1cccc(C(C)(C)NC(=O)NCc2cccnc2)c1
[C][=C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2]
C=C(C)c1cccc7c1.c18cccnc1.C57(C)C.C34=O.N35.N46.C68
13815
C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccc(C)cc1
[C][=C][C][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][=C][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
n15c(N)cc(=O)nc16.c14ccc(C)cc1.C3C2=O.C=CC5.S36.N24
13816
C=CCn1c(N)cc(=O)nc1SCC(=O)NC1CCCCC1
[C][=C][C][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][=C][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1]
n15c(N)cc(=O)nc16.C14CCCCC1.C3C2=O.C=CC5.S36.N24
13817
NC(=O)c1ccccc1OCC(=O)N1CCOCC1
[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
c15ccccc14.N12CCOCC1.C3C2=O.NC5=O.O34
13818
Cc1n[nH]c2c1C(c1cccc(Cl)c1)CC(=O)N2
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring1][=C]
Cc1n[nH]c2c1C(c1cccc(Cl)c1)CC(=O)N2
13819
Cc1n[nH]c2c1C(c1ccc3ccccc3c1)CC(=O)N2
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Ring1][P]
Cc1n[nH]c2c1C(c1ccc3ccccc3c1)CC(=O)N2
13820
Cc1n[nH]c2c1C(c1cccc3ccccc13)CC(=O)N2
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][P]
Cc1n[nH]c2c1C(c1cccc3ccccc13)CC(=O)N2
13821
Cc1n[nH]c2c1C(c1cccc(Br)c1)CC(=O)N2
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring1][=C]
Cc1n[nH]c2c1C(c1cccc(Br)c1)CC(=O)N2
13822
COc1ccc(C2CC(c3ccccc3)n3ncnc3N2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1]
C15CC(c2ccccc2)n2ncnc2N1.c14ccc5cc1.CO4
13824
COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1
[C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][=C][Ring2][Ring1][=Branch1]
N14CCc2cc6c7cc2C1.c15cccc8c1.C48=O.CO5.O6C.O7C
13825
Nc1nc2n(n1)C(c1ccccc1)CC(c1ccccc1)N2
[N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1]
Nc1nc2n(n1)C(c1ccccc1)CC3N2.c13ccccc1
13826
Nc1nc2n(n1)C(c1ccccc1)CC(c1ccc(Cl)cc1)N2
[N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring2]
Nc1nc2n(n1)C(c1ccccc1)CC3N2.c13ccc(Cl)cc1
13827
Nc1nc2n(n1)C(c1c(F)cccc1Cl)CC(c1ccccc1)N2
[N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1]
Nc1nc2n(n1)C(c1c(F)cccc1Cl)CC3N2.c13ccccc1
13829
Cc1nnc(SCC(=O)c2c(C)[nH]c3ccccc23)s1
[C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring2][Ring1][Ring1]
c15c(C)[nH]c2ccccc12.Cc1nnc6s1.C4C5=O.S46
13830
CCc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)o1
[C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][O][Ring2][Ring1][Branch1]
C189CCOCC1.c17ccc6o1.c19ccccc1.C46=O.CC7.N45.C58
13831
CCOC(=O)CSc1nnc2n(N)c(=O)c3ccccc3n12
[C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][Ring1][N]
c17nnc2n(N)c(=O)c3ccccc3n12.C4(=O)C6.CC5.O45.S67
13832
COc1ccc(C)cc1NC(=O)C1CC(=O)OC12CCCCC2
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1]
C16CC(=O)OC12CCCCC2.c14ccc(C)cc15.C36=O.CO4.N35
13833
O=C1CC(C(=O)Nc2cccc(C(F)(F)F)c2)C2(CCCCC2)O1
[O][=C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][#Branch1]
O=C1CC5C2(CCCCC2)O1.c14cccc6c1.C6(F)(F)F.C35=O.N34
13834
COc1ccc(NC(=O)C2CC(=O)OC23CCCCC3)c(OC)c1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1]
C18CC(=O)OC12CCCCC2.c15ccc7c6c1.C48=O.CO5.N47.O6C
13835
Cn1ncc2c1ncn1c(-c3ccccc3)nnc21
[C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][Ring1][O]
Cn1ncc2c1ncn1c4nnc21.c14ccccc1
13836
Cc1ccc(-c2nnc3c4cnn(C)c4ncn23)cc1
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1]
c15nnc2c3cnn(C)c3ncn12.Cc1ccc5cc1
13837
Cn1ncc2c1ncn1c(-c3ccccc3Cl)nnc21
[C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][=C][Ring1][S][Ring1][N]
Cn1ncc2c1ncn1c4nnc21.c14ccccc1Cl
13838
Cn1ncc2c1ncn1c(COc3ccc(Cl)cc3)nnc21
[C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring2][Ring1][C][Ring1][=C]
Cn1ncc2c1ncn1c6nnc21.c15ccc(Cl)cc1.C46.O45
13839
COc1ccc(Cc2nnc3c4cnn(C)c4ncn23)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=N][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
c16nnc2c3cnn(C)c3ncn12.c15ccc7cc1.CO5.C67
13840
Cc1ccccc1OCc1nnc2c3cnn(C)c3ncn12
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][=N][Ring1][#Branch2]
c16nnc2c3cnn(C)c3ncn12.Cc1ccccc15.O45.C46
13841
Cc1cccc(C)c1OCc1nnc2c3cnn(C)c3ncn12
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=N][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][=N][Ring1][#Branch2]
c16nnc2c3cnn(C)c3ncn12.Cc1cccc(C)c15.O45.C46
13842
c1ccc(Cn2ncc3c2ncn2c(-c4ccccc4)nnc32)cc1
[C][=C][C][=C][Branch2][Ring1][=C][C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][Ring1][O][C][=C][Ring2][Ring1][=Branch2]
n15ncc2c1ncn1c7nnc21.c1ccc6cc1.c17ccccc1.C56
13843
c1ccc(-c2nnc3c4cnn(-c5ccccc5)c4ncn23)cc1
[C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]
c17nnc2c3cnn6c3ncn12.c1ccc7cc1.c16ccccc1
13844
COc1ccc(-c2nnc3c4cnn(-c5ccccc5)c4ncn23)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]
c18nnc2c3cnn7c3ncn12.c16ccc8cc1.c17ccccc1.CO6
13845
c1ccc(-n2ncc3c2ncn2c(-c4ccncc4)nnc32)cc1
[C][=C][C][=C][Branch2][Ring1][=N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][Ring1][O][C][=C][Ring2][Ring1][Branch2]
n15ncc2c1ncn1c6nnc21.c1ccc5cc1.c16ccncc1
13846
Cn1ncc2c1ncn1nc(-c3ccccc3)nc21
[C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O]
Cn1ncc2c1ncn1nc4nc21.c14ccccc1
13847
Cc1ccc(-c2nc3c4cnn(C)c4ncn3n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][#Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1]
c15nc2c3cnn(C)c3ncn2n1.Cc1ccc5cc1
13848
Cn1ncc2c1ncn1nc(-c3ccccc3Cl)nc21
[C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Ring1][S][Ring1][N]
Cn1ncc2c1ncn1nc4nc21.c14ccccc1Cl
13849
Cn1ncc2c1ncn1nc(COc3ccc(Cl)cc3)nc21
[C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][Ring1][=C]
Cn1ncc2c1ncn1nc6nc21.c15ccc(Cl)cc1.C46.O45
13850
Cc1ccc(C(C)C)c(OCc2nc3c4cnn(C)c4ncn3n2)c1
[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][Branch2][O][C][C][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][#Branch2][N][=Ring1][=N][=C][Ring2][Ring1][Branch2]
c17nc2c3cnn(C)c3ncn2n1.Cc1ccc8c6c1.C8(C)C.O56.C57
13851
COc1ccc(Cc2nc3c4cnn(C)c4ncn3n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][#Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring2]
c16nc2c3cnn(C)c3ncn2n1.c15ccc7cc1.CO5.C67
13852
c1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1
[C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
c17nc2c3cnn6c3ncn2n1.c1ccc7cc1.c16ccccc1
13853
COc1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
c18nc2c3cnn7c3ncn2n1.c16ccc8cc1.c17ccccc1.CO6
13855
CCSc1nnc2c(n1)OC(C)N(C(C)=O)c1ccccc1-2
[C][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
c15nnc2c(n1)OC(C)N3c1ccccc1-2.C3(C)=O.CC4.S45
13856
Cc1ccc(NC(=O)c2cncc(Br)c2)c(O)c1
[C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][P]
Cc1ccc4c(O)c1.c15cncc(Br)c1.C35=O.N34
13857
CC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1
[C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][S]
c16ccc(O)c4c1.c15cccnc1.CC6C.C35=O.N34
13858
CCC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1
[C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][S]
c16ccc(O)c4c1.c15cccnc1.CCC6C.C35=O.N34
13859
O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccnc1
[O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Branch1][C][O][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1]
c17nc2ccccc2o1.c15ccc7c(O)c1.c16cccnc1.O=C46.N45
13860
O=C(Cn1ncc2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1
[O][=C][Branch1][P][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
n15ncc2ccccc2c1=O.c14cccc6c1.O=C3C5.C6(F)(F)F.N34
13861
Brc1ccc(Oc2nnnn2-c2ccccc2)cc1
[Br][C][=C][C][=C][Branch1][P][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
Brc1ccc4cc1.c13nnnn15.c15ccccc1.O34
13862
O=C(OCc1ccc(Cl)cc1Cl)c1cnccn1
[O][=C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][N][=C][C][=N][Ring1][=Branch1]
c15ccc(Cl)cc1Cl.c14cnccn1.O=C24.O23.C35
13863
Cn1c(=O)c2cn(Cc3ccc(Cl)cc3)cc2n(C)c1=O
[C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O]
Cn1c(=O)c2cn4cc2n(C)c1=O.c15ccc(Cl)cc1.C45
13864
Cn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O
[C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][Branch1][C][C][C][Ring1][P][=O]
Cn1c(=O)c2cn4cc2n(C)c1=O.c14ccccc1
13866
COc1ccccc1-n1cc2c(=O)n(C)c(=O)n(C)c2c1
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][=N]
n14cc2c(=O)n(C)c(=O)n(C)c2c1.c13ccccc14.CO3
13867
CCOC(=O)c1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
n17cc2c(=O)n(C)c(=O)n(C)c2c1.c16ccc7cc1.C46=O.CC5.O45
13868
Cc1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c(C)c1
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][Ring2]
n14cc2c(=O)n(C)c(=O)n(C)c2c1.Cc1ccc4c(C)c1
13869
Cn1c(=O)c2cn(-c3cccc4ccccc34)cc2n(C)c1=O
[C][N][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][#C][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O]
Cn1c(=O)c2cn5cc2n(C)c1=O.c15cccc2ccccc12
13870
Cn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C
[C][N][C][=C][C][=Branch1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C]
Cn1cc2c(c13)c(=O)n(C)c(=O)n2C.c13ccccc1
13871
Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3)cc2n(C)c1=O
[C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O]
Cn1c(=O)c2c5n4cc2n(C)c1=O.c15ccccc1.c14ccccc1
13872
Cc1ccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1
[C][C][=C][C][=C][Branch2][Ring2][C][N][C][=C][C][=Branch1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C][C][=C][Ring2][Ring1][=Branch2]
n14cc2c(c15)c(=O)n(C)c(=O)n2C.Cc1ccc4cc1.c15ccccc1
13873
Cc1cccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)c1
[C][C][=C][C][=C][C][Branch2][Ring2][C][N][C][=C][C][=Branch1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C][=C][Ring2][Ring1][=Branch2]
n14cc2c(c15)c(=O)n(C)c(=O)n2C.Cc1cccc4c1.c15ccccc1
13874
Cc1ccccc1-n1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C]
n13cc2c(c14)c(=O)n(C)c(=O)n2C.Cc1ccccc13.c14ccccc1
13875
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][N][Ring1][=N][C][C][=C][Ring2][Ring1][Ring2]
c15c2c(=O)n(C)c(=O)n(C)c2cn1C.c14ccc5cc1.CO4
13876
CCn1cc2c(c1-c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C
[C][C][N][C][=C][C][=Branch1][S][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][C]
n14cc2c(c15)c(=O)n(C)c(=O)n2C.c15ccc3cc1.CC4.O3C
13878
COc1ccc(C(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring1]
c15c(C)n(C)c(=O)n(C)c1=O.c13ccc4cc1.C45=O.CO3
13879
Cc1nn(-c2ccccc2)c2sc(C(N)=O)cc12
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Ring1][P][=Ring1][Branch2]
Cc1nn4c2sc3cc12.c14ccccc1.C3(N)=O
13881
COc1ccc(NC(=O)c2ccc3c(c2)OCO3)c(OC)c1
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2]
c18ccc2c(c1)OCO2.c15ccc7c6c1.C48=O.CO5.N47.O6C