Compound Name

SMILES String

C(C1CC1)n1ccnc1

C(Cc1cnccn1)C1CC1

C=CCCCCCc1cnccn1

C=CCCCCn1ccnc1

C=Cn1ccnc1

CC#CCn1ccnc1

CC(C)=CCC\C(C)=C\Cc1ncc[nH]1 |(-3.96,12.47,;-5.29,11.7,;-6.63,12.47,;-5.29,10.16,;-6.63,9.39,;-6.63,7.85,;-7.96,7.08,;-9.3,7.85,;-7.96,5.54,;-9.3,4.77,;-9.3,3.23,;-10.54,2.33,;-10.07,.87,;-8.53,.87,;-8.05,2.33,)|

CC(C)CCCc1cnccn1

CC(C)CCn1ccnc1

CC(CCC=C(C)C)Cc1ncc[nH]1 |(-6.63,4.77,;-7.96,5.54,;-7.96,7.08,;-6.63,7.85,;-6.63,9.39,;-5.29,10.16,;-5.29,11.7,;-3.96,9.39,;-9.3,4.77,;-9.3,3.23,;-10.54,2.33,;-10.07,.87,;-8.53,.87,;-8.05,2.33,)|

CCCCCCCCCc1ncc[nH]1

CCCCCCCCCc1ncco1

CCCCCCCCc1cnccn1

CCCCCCCn1ccnc1

CCCCCCn1ccnc1

CCCCCn1ccnc1

CCCCn1ccnc1

CCCn1ccnc1

CCOC(=O)CCCn1ccnc1

CCOC(=O)CCn1ccnc1

CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r|

CC\C=C\CCn1ccnc1

CC\C=C\Cc1ncc[nH]1

CC\C=C\Cn1ccnc1

CN(C)c1ccc(C=O)cc1

CN1CCC[C@H]1c1cccnc1 |r|

COc1c2occc2cc2ccc(=O)oc12

COc1ccc(cc1)-c1ncco1

COc1ccc(cc1)C1=NCCO1 |t:9|

C[C@@H]1CCc2c(C)coc2C1 |r|

Cn1cccc1-c1cccnc1

N#CCCCCn1ccnc1

NCCc1c[nH]c2ccccc12

N[C@@H]1C[C@H]1c1ccccc1 |r|

OC(=O)CCCCn1ccnc1

OCCCCCn1ccnc1

OCCCCn1ccnc1

S=C=NCCc1ccccc1

[#6]\[#6](-[#6])=[#6]/[#6]-n1ccnc1

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-n1ccnc1

c1cn(cn1)-c1ccncc1