ID
large_stringlengths
1
7
smiles
stringlengths
15
57
selfies
stringlengths
55
294
safe
stringlengths
15
83
1930516
Cn1nc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)C2)ccc1=O
[C][N][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][=C][C][Ring2][Ring1][=Branch1][=O]
N14CCC(S(=O)(=O)c2ccccc2)C1.Cn1nc5ccc1=O.C45=O
1930517
O=C(Cn1cnnn1)N1CCC(S(=O)(=O)c2ccccc2)C1
[O][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C]
N13CCC(S(=O)(=O)c2ccccc2)C1.n14cnnn1.O=C3C4
1930518
O=C(c1cnn(-c2ccccc2)n1)N1Cc2cncnc2C1
[O][=C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2]
N13Cc2cncnc2C1.c14cnn5n1.c15ccccc1.O=C34
1930519
O=C(c1ccc2[nH]cnc2c1)N1Cc2cncnc2C1
[O][=C][Branch1][=C][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2]
c14ccc2[nH]cnc2c1.N13Cc2cncnc2C1.O=C34
1930521
O=C(c1ccc(-n2cccc2)cc1)N1Cc2cncnc2C1
[O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2]
N13Cc2cncnc2C1.c14ccc5cc1.n15cccc1.O=C34
1930522
O=C(Cn1ccc2ccccc21)N1Cc2cncnc2C1
[O][=C][Branch1][#C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2]
n14ccc2ccccc21.N13Cc2cncnc2C1.O=C3C4
1930523
O=C(CSc1ncccn1)N1Cc2cncnc2C1
[O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2]
N13Cc2cncnc2C1.c15ncccn1.O=C3C4.S45
1930524
O=C(c1cc(-c2cccs2)n[nH]1)N1Cc2cncnc2C1
[O][=C][Branch1][P][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2]
N13Cc2cncnc2C1.c14cc5n[nH]1.c15cccs1.O=C34
1930525
O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1Cc2cncnc2C1
[O][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][NH1][Ring1][=C][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2]
c16ccc2c(c1)OCO2.N14Cc2cncnc2C1.c15cc6n[nH]1.O=C45
1930526
O=S(=O)(c1c[nH]cn1)N1Cc2cncnc2C1
[O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2]
N13Cc2cncnc2C1.O=S3(=O)c1c[nH]cn1
1930527
Cn1cnc(S(=O)(=O)N2Cc3cncnc3C2)c1
[C][N][C][=N][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][P]
Cn1cnc(S4(=O)=O)c1.N14Cc2cncnc2C1
1930528
Cn1c(=O)oc2ccc(S(=O)(=O)N3Cc4cncnc4C3)cc21
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1]
Cn1c(=O)oc2ccc(S5(=O)=O)cc21.N15Cc2cncnc2C1
1930529
O=c1[nH]c2cc(S(=O)(=O)N3Cc4cncnc4C3)ccc2o1
[O][=C][NH1][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1]
O=c1[nH]c2cc(S5(=O)=O)ccc2o1.N15Cc2cncnc2C1
1930530
O=C(C1CCC1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1
[O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C]
N13CCC(S(=O)(=O)c2ccc(Cl)cc2)C1.C14CCC1.O=C34
1930531
O=C(c1ccno1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1
[O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C]
N13CCC(S(=O)(=O)c2ccc(Cl)cc2)C1.c14ccno1.O=C34
1930532
O=C(NCCn1ccc(-c2ccncc2)n1)NC1CCCCCC1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1]
C16CCCCCC1.n17ccc8n1.c18ccncc1.O=C34.C5C7.N35.N46
1930533
Cc1ccccc1C(=O)NCCn1ccc(-c2ccccn2)n1
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O]
Cc1ccccc15.n16ccc7n1.c17ccccn1.C35=O.C4C6.N34
1930534
O=C(NCCn1ccc(-c2ccccn2)n1)c1ccccc1F
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
c15ccccc1F.n16ccc7n1.c17ccccn1.O=C35.C4C6.N34
1930535
O=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(F)cc1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
c15ccc(F)cc1.n16ccc7n1.c17ccccn1.O=C35.C4C6.N34
1930536
O=C(NCCn1ccc(-c2ccccn2)n1)c1cccc(F)c1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
c15cccc(F)c1.n16ccc7n1.c17ccccn1.O=C35.C4C6.N34
1930537
N#Cc1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1
[N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][=Branch1]
N#Cc1ccc6cc1.n17ccc8n1.c18ccccn1.C46=O.C5C7.N45
1930538
N#Cc1cccc(C(=O)NCCn2ccc(-c3ccccn3)n2)c1
[N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][=Branch1]
N#Cc1cccc6c1.n17ccc8n1.c18ccccn1.C46=O.C5C7.N45
1930539
CCc1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1
[C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][=Branch1]
c18ccc6cc1.n17ccc9n1.c19ccccn1.C46=O.C5C7.CC8.N45
1930540
Cc1cc(C)cc(C(=O)NCCn2ccc(-c3ccccn3)n2)c1
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][#Branch1]
Cc1cc6cc(C)c1.n17ccc8n1.c18ccccn1.C46=O.C5C7.N45
1930541
COc1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][=Branch1]
c15ccc7cc1.n18ccc9n1.c19ccccn1.C47=O.C6C8.CO5.N46
1930542
COc1cccc(C(=O)NCCn2ccc(-c3ccccn3)n2)c1
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][=Branch1]
c15cccc7c1.n18ccc9n1.c19ccccn1.C47=O.C6C8.CO5.N46
1930543
O=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(Cl)cc1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
c15ccc(Cl)cc1.n16ccc7n1.c17ccccn1.O=C35.C4C6.N34
1930544
O=C(NCCn1ccc(-c2ccccn2)n1)c1ccccc1Cl
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
c15ccccc1Cl.n16ccc7n1.c17ccccn1.O=C35.C4C6.N34
1930545
O=C(NCCn1ccc(-c2ccccn2)n1)c1cccc(Cl)c1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
c15cccc(Cl)c1.n16ccc7n1.c17ccccn1.O=C35.C4C6.N34
1930546
O=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(F)cc1F
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
c15ccc(F)cc1F.n16ccc7n1.c17ccccn1.O=C35.C4C6.N34
1930548
CN(C)c1cccc(C(=O)NCCn2ccc(-c3ccccn3)n2)c1
[C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][=Branch1]
c16cccc7c1.n18ccc9n1.c19ccccn1.CN6C.C47=O.C5C8.N45
1930549
CCOc1ccccc1C(=O)NCCn1ccc(-c2ccccn2)n1
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O]
c15ccccc17.n18ccc9n1.c19ccccn1.C37=O.C6C8.CC4.O45.N36
1930550
O=C(NCCn1ccc(-c2ccccn2)n1)c1c(F)cccc1Cl
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl]
c15c(F)cccc1Cl.n16ccc7n1.c17ccccn1.O=C35.C4C6.N34
1930552
O=C(NCCc1ccccc1)NCCn1ccc(-c2ccccn2)n1
[O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O]
c18ccccc1.n17ccc9n1.c19ccccn1.O=C34.C5C8.C6C7.N35.N46
1930553
O=C(NCCn1ccc(C(F)(F)F)n1)c1ccccc1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
n15ccc6n1.c14ccccc1.C6(F)(F)F.O=C24.C3C5.N23
1930554
Cc1ccccc1C(=O)NCCn1ccc(C(F)(F)F)n1
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
Cc1ccccc14.n15ccc6n1.C6(F)(F)F.C24=O.C3C5.N23
1930555
O=C(NCCn1ccc(C(F)(F)F)n1)c1ccccc1F
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
c14ccccc1F.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930556
O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(F)cc1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
c14ccc(F)cc1.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930557
O=C(NCCn1ccc(C(F)(F)F)n1)c1cccc(F)c1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
c14cccc(F)c1.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930559
CCc1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1
[C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2]
c18ccc5cc1.n16ccc7n1.C7(F)(F)F.C35=O.C4C6.CC8.N34
1930560
Cc1cc(C)cc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=C][Ring2][Ring1][Branch1]
Cc1cc5cc(C)c1.n16ccc7n1.C7(F)(F)F.C35=O.C4C6.N34
1930561
O=C(CCc1ccccc1)NCCn1ccc(C(F)(F)F)n1
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
c16ccccc1.n14ccc5n1.O=C2CC6.C5(F)(F)F.C3C4.N23
1930562
COc1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2]
c14ccc6cc1.n17ccc8n1.C8(F)(F)F.C36=O.C5C7.CO4.N35
1930563
O=C(COc1ccccc1)NCCn1ccc(C(F)(F)F)n1
[O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
c14ccccc1.n16ccc7n1.O=C2C3.C7(F)(F)F.C5C6.O34.N25
1930565
COc1cccc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=C][Ring2][Ring1][Ring2]
c14cccc6c1.n17ccc8n1.C8(F)(F)F.C36=O.C5C7.CO4.N35
1930566
O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(Cl)cc1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
c14ccc(Cl)cc1.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930567
O=C(NCCn1ccc(C(F)(F)F)n1)c1ccccc1Cl
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
c14ccccc1Cl.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930568
O=C(NCCn1ccc(C(F)(F)F)n1)c1cccc(Cl)c1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
c14cccc(Cl)c1.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930569
O=C(NCCn1ccc(C(F)(F)F)n1)c1c(F)cccc1F
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
c14c(F)cccc1F.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930570
O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(F)cc1F
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
c14ccc(F)cc1F.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930571
O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(F)c(F)c1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]
c14ccc(F)c(F)c1.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930572
CN(C)c1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2]
c15ccc6cc1.n17ccc8n1.C8(F)(F)F.CN5C.C36=O.C4C7.N34
1930573
CN(C)c1cccc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1
[C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=C][Ring2][Ring1][Ring2]
c15cccc6c1.n17ccc8n1.C8(F)(F)F.CN5C.C36=O.C4C7.N34
1930574
CCOc1ccccc1C(=O)NCCn1ccc(C(F)(F)F)n1
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
c14ccccc16.n17ccc8n1.C8(F)(F)F.C26=O.C5C7.CC3.O34.N25
1930575
CCOc1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2]
c15ccc7cc1.n18ccc9n1.C9(F)(F)F.C37=O.C6C8.CC4.O45.N36
1930576
Cc1ccccc1OCC(=O)NCCn1ccc(C(F)(F)F)n1
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
Cc1ccccc14.n16ccc7n1.C3C2=O.C7(F)(F)F.C5C6.O34.N25
1930577
CSc1ccccc1C(=O)NCCn1ccc(C(F)(F)F)n1
[C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
c17ccccc14.n15ccc6n1.C6(F)(F)F.C24=O.C3C5.CS7.N23
1930578
O=C(COc1ccccc1F)NCCn1ccc(C(F)(F)F)n1
[O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
c14ccccc1F.n16ccc7n1.O=C2C3.C7(F)(F)F.C5C6.O34.N25
1930579
O=C(COc1ccc(F)cc1)NCCn1ccc(C(F)(F)F)n1
[O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
c14ccc(F)cc1.n16ccc7n1.O=C2C3.C7(F)(F)F.C5C6.O34.N25
1930580
O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(F)cc1Cl
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl]
c14ccc(F)cc1Cl.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930581
O=C(NCCn1ccc(C(F)(F)F)n1)c1c(F)cccc1Cl
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl]
c14c(F)cccc1Cl.n15ccc6n1.C6(F)(F)F.O=C24.C3C5.N23
1930582
COc1cccc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1OC
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][O][C]
c14cccc7c15.n18ccc9n1.C9(F)(F)F.C37=O.C6C8.CO4.N36.O5C
1930583
COc1cccc(OC)c1C(=O)NCCn1ccc(C(F)(F)F)n1
[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
c13cccc4c16.n17ccc8n1.C8(F)(F)F.C26=O.C5C7.CO3.O4C.N25
1930584
O=C(NCCn1ccc(C(F)(F)F)n1)NCc1ccc(Cl)cc1
[O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
c18ccc(Cl)cc1.n16ccc7n1.C7(F)(F)F.O=C23.C4C6.N24.N35.C58
1930585
O=C(NCCn1ccnc1-c1ncccn1)C1CCCC1
[O][=C][Branch2][Ring1][Ring1][N][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1]
n15ccnc16.c16ncccn1.C14CCCC1.O=C24.C3C5.N23
1930586
O=C(CC1CCCC1)NCCn1ccnc1-c1ncccn1
[O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1]
n14ccnc16.c16ncccn1.C15CCCC1.O=C2C5.C3C4.N23
1930587
O=C(NCCn1ccnc1-c1ncccn1)c1cccc2ccccc12
[O][=C][Branch2][Ring1][Ring1][N][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
c15cccc2ccccc12.n16ccnc17.c17ncccn1.O=C35.C4C6.N34
1930589
O=C(Cn1cccc1)N1CCC(S(=O)(=O)c2ccccc2)CC1
[O][=C][Branch1][=Branch2][C][N][C][=C][C][=C][Ring1][Branch1][N][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C]
N13CCC(S(=O)(=O)c2ccccc2)CC1.n14cccc1.O=C3C4
1930591
Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cnccn2)CC1
[C][N][C][=N][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C]
Cn1cnnc1S(=O)(=O)C1CCN3CC1.c14cnccn1.C34=O
1930592
Cn1cnnc1S(=O)(=O)C1CCN(C(=O)Cn2cccn2)CC1
[C][N][C][=N][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][=C]
Cn1cnnc1S(=O)(=O)C1CCN3CC1.n14cccn1.C3(=O)C4
1930593
O=C(Cn1cccc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
[O][=C][Branch1][=Branch2][C][N][C][=C][C][=C][Ring1][Branch1][N][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C]
N13CC(S(=O)(=O)c2ccc(F)cc2)C1.n14cccc1.O=C3C4
1930594
O=C(Cn1cnnn1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
[O][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C]
N13CC(S(=O)(=O)c2ccc(F)cc2)C1.n14cnnn1.O=C3C4
1930596
COc1ccc(S(=O)(=O)C2CN(C(=O)Cn3cccc3)C2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1]
c15ccc(S(=O)(=O)C2CN4C2)cc1.n16cccc1.C4(=O)C6.CO5
1930597
COc1ccc(S(=O)(=O)C2CN(C(=O)Cn3cnnn3)C2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=N][N][=N][Ring1][Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1]
c15ccc(S(=O)(=O)C2CN4C2)cc1.n16cnnn1.C4(=O)C6.CO5
1930598
O=C(c1ccoc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
[O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C]
N13CC(S(=O)(=O)c2ccc(Cl)cc2)C1.c14ccoc1.O=C34
1930599
Cc1noc(C)c1C(=O)NCc1cccc(Oc2ccccn2)c1
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N]
Cc1noc(C)c17.c18cccc5c1.c14ccccn1.C37=O.N36.C68.O45
1930600
O=C(NCc1cccc(Oc2ccccn2)c1)C1CCCC1
[O][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][C][C][C][C][C][Ring1][Branch1]
c18cccc5c1.c14ccccn1.C17CCCC1.O=C37.N36.C68.O45
1930601
CC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccccn3)c2)c1
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][=C][Ring2][Ring1][=Branch1]
c18cccc9c1.c1%10cccc7c1.c16ccccn1.CC4=O.C5%10=O.N48.N59.O67
1930602
CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccccn3)c2)cc1
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1]
c18ccc9cc1.c1%10cccc7c1.c16ccccn1.CC4=O.C5%10=O.N48.N59.O67
1930604
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccc(Oc2ccccn2)c1
[O][=C][Branch1][=C][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N]
c16c[nH]c(=O)[nH]c1=O.c17cccc5c1.c14ccccn1.O=C37.N36.O45
1930605
O=C(Nc1ccc(CCO)cc1)c1cccc(Oc2ccccn2)c1
[O][=C][Branch1][#C][N][C][=C][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N]
c16ccc8cc1.c17cccc5c1.c14ccccn1.O=C37.C8CO.N36.O45
1930606
CC1(C)COCN1C(=O)c1cccc(Oc2ccccn2)c1
[C][C][Branch1][C][C][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N]
CC1(C)COCN13.c16cccc5c1.c14ccccn1.C36=O.O45
1930607
NC(=O)c1ccsc1NC(=O)c1cccc(Oc2ccccn2)c1
[N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N]
c18cccc5c1.c17ccsc16.c14ccccn1.NC7=O.C38=O.N36.O45
1930608
Cc1cnc(C(=O)NC2CCN(c3nccs3)CC2)cn1
[C][C][=C][N][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][=N][Ring2][Ring1][Ring2]
Cc1cnc7cn1.C16CCN5CC1.c15nccs1.C47=O.N46
1930609
O=C(NC1CCN(c2nccs2)CC1)c1cc(-c2ccco2)n[nH]1
[O][=C][Branch2][Ring1][Ring1][N][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2]
C15CCN4CC1.c16cc7n[nH]1.c14nccs1.c17ccco1.O=C36.N35
1930610
O=S(=O)(NC1CCN(c2nccs2)CC1)C1CCCCC1
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][N][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1]
O=S3(=O)C1CCCCC1.C15CCN4CC1.c14nccs1.N35
1930611
O=C(Nc1cnn(C2CCOCC2)c1)c1cccc(-n2cnnn2)c1
[O][=C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O]
c15cccc7c1.c14cnn6c1.C16CCOCC1.n17cnnn1.O=C35.N34
1930612
O=C(COc1cccnc1)Nc1cnn(C2CCOCC2)c1
[O][=C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O]
c15cccnc1.c16cnn7c1.C17CCOCC1.O=C3C4.O45.N36
1930613
O=C(CCCc1ccccc1)Nc1cnn(C2CCOCC2)c1
[O][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O]
O=C3CCC5.c15ccccc1.c14cnn6c1.C16CCOCC1.N34
1930614
COc1ccc(CCC(=O)Nc2cnn(C3CCOCC3)c2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][=Branch1]
c15ccc7cc1.c16cnn8c1.C18CCOCC1.C7CC4=O.CO5.N46
1930616
Cc1nc2ccccn2c1C(=O)Nc1cnn(C2CCOCC2)c1
[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O]
Cc1nc2ccccn2c15.c14cnn6c1.C16CCOCC1.C35=O.N34
1930617
O=C(Cn1ncccc1=O)Nc1cnn(C2CCOCC2)c1
[O][=C][Branch1][O][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O]
n15ncccc1=O.c14cnn6c1.C16CCOCC1.O=C3C5.N34
1930618
CC(C)C1CCC(C(=O)Nc2cnn(C3CCOCC3)c2)CC1
[C][C][Branch1][C][C][C][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O][C][C][Ring2][Ring1][Ring2]
C17CCC6CC1.c15cnn8c1.C18CCOCC1.CC7C.C46=O.N45
1930619
Cc1oncc1C(=O)Nc1cnn(C2CCOCC2)c1
[C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O]
Cc1oncc15.c14cnn6c1.C16CCOCC1.C35=O.N34
1930620
COc1ccccc1C(CNC(=O)c1cnccn1)OC
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][O][C]
c14ccccc17.c16cnccn1.C37C5.C26=O.CO4.N25.O3C
1930622
COc1ccccc1C(CNC(=O)c1nc2ccccc2s1)OC
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][O][C]
c17nc2ccccc2s1.c15ccccc18.C48C6.C37=O.CO5.N36.O4C
1930623
COc1ccccc1C(CNC(=O)C1(c2cccs2)CC1)OC
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][Branch2][O][C]
c15ccccc18.c19cccs1.C48C6.C179CC1.C37=O.CO5.N36.O4C
1930624
COc1ccccc1C(CNC(=O)C1(c2ccc(F)cc2)CC1)OC
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][O][C]
c15ccccc18.c19ccc(F)cc1.C48C6.C179CC1.C37=O.CO5.N36.O4C
1930625
COc1ccccc1C(CNC(=O)c1cc(C2CC2)on1)OC
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][O][C]
c15ccccc18.c17cc9on1.C48C6.C37=O.C19CC1.CO5.N36.O4C
1930626
COc1ccccc1C(CNC(=O)Nc1ccccc1)OC
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]
c15ccccc18.c17ccccc1.C48C6.C23=O.CO5.N26.N37.O4C