Compound Name

SMILES String

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCNC(=O)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(=O)NC(=O)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(=O)NC(C)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(=O)NC(C)(C)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(=O)NC3(CC3)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCNC2=O)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCNC(=O)C2)cn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN(C)C(=O)C2)cn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCOC2=O)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN(C)C2=O)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN(C)C(=O)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN[C@H](C(=O)O)C2)nn1

CCNC(=O)C1CN(c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cc3)nn2)C1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3CCNC(=O)[C@@H]3C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3CCNC(=O)[C@H]3C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3CCNC(=O)[C@@H]3C2)cn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN(CCN3CCCC3)C(=O)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(=O)N3CCNCC3C2)nn1

Cc1nnn(-c2ccc(F)cc2)c1COc1ccc(N2CCNC(=O)C2)nn1

N#Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCNC(=O)C2)nn1

O=C1CN(c2ccc(OCc3c(CO)nnn3-c3ccc(C(F)F)cc3)nn2)CCN1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(C(=O)Nc3cnn(C)c3)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2C[C@H]3C[C@@H]2C(=O)N3)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3c4ccccc4NC(=O)[C@@H]3C2)nn1

Cn1nnc(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCNC(=O)C2)nn1

Cc1ccc(-n2nnc(C)c2COc2ccc(N3CCN4CCNC(=O)[C@@H]4C3)nn2)cc1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3CCN(C4CC4)C(=O)[C@@H]3C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(C(=O)NC(C)C)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCNC(=O)C2)nn1

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(=O)N3CCOC[C@H]3C2)nn1

O=C1NCCN2CCN(c3ccc(OCc4c(Cl)nnn4-c4ccc(C(F)F)cc4)nn3)C[C@@H]12

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3CC(C4CC4)NC(=O)[C@@H]3C2)nn1

C#Cc1ccc-2c(c1)C(=NCc1c(ncn-21)-c1cnco1)c1ccccn1 |c:9|

CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4|

COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C |r|

CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc-21

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(C=C)ccc-21 |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc-21 |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(C=C)ccc-21 |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc-21 |r|

CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1ccccc1 |r|

CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1cccs1 |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1ccco1 |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1ccccc-21 |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1ccco1 |r|

C[Si](C)(C)C#Cc1ccc-2c(c1)C(=O)N1CCC[C@H]1c1c(ncn-21)C(=O)OCC(F)(F)F |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1ccccc1 |r|

CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C

Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F

CC(C)COc1cc2c(c[nH]1)nc1ccccc21

CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccccc4)cc3c2c1COC

CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|

CCCCOc1cc2c(c[nH]1)nc1ccccc21

CCCCCCCCOc1ccc2n(C)c3cnc(C(=O)OCC)c(COC)c3c2c1

CCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1

CC(C)CCOc1cc2c(c[nH]1)nc1ccccc21

CCCOc1cc2c(c[nH]1)nc1ccccc21

CCOC(=O)c1[nH]cc2nc3ccccc3c2c1COC

COCc1c(N=C=S)[nH]cc2nc3ccc(OCc4ccccc4)cc3c12

CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1

CCOC(=O)c1[nH]cc2nc3ccc(OCc4cccc5ccccc45)cc3c2c1CC

CC(C)Oc1cc2c(c[nH]1)nc1ccccc21

CCCCCCCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(CC)c3c2c1

CCc1c(OC)[nH]cc2nc3cc(OC)c(OC)cc3c12

CC(C)(C)OC(=O)c1cc2c(c[nH]1)nc1ccccc21

COCc1c([nH]cc2nc3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C

CCOC(=O)c1[nH]cc2nc3cc(OC)c(OC)cc3c2c1CC

CCOc1[nH]cc2nc3cc(OC)c(OC)cc3c2c1CC

CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c2c1COC

CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC

CCOc1cc2c(c[nH]1)nc1ccccc21

CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1

CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccccc4)cc3c2c1CC

CCC(C)Oc1cc2c(c[nH]1)nc1ccccc21

CCOC(=O)c1cc2c(c[nH]1)nc1ccccc21

C(Oc1cc2c(c[nH]1)nc1ccccc21)c1ccccc1

CCCCCCCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1

CCOC(=O)c1ncc2n(C)c3ccccc3c2c1CC

CCCOc1ccc2[nH]c3cnc(N)c(COC)c3c2c1

CCc1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(Br)ccc-21

CCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21

CCOCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21

CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(=O)OCC1CC1

CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(Br)ccc-21

CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#N

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C[Si](C)(C)C

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(CC)ccc-21

Cc1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C

CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#CC[Si](C)(C)C)C(=O)OC(C)(C)C

CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C[Si](C)(C)C)C(=O)OC(C)(C)C

CN1Cc2c(CCl)ncn2-c2ccc(Cl)cc2C1=O

CCN(CC)Cc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21

CCOC(=O)c1ncn-2c1[C@H]1CCCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C

CCOC(=O)c1ncn-2c1[C@H]1CCCN1C(=O)c1cc(ccc-21)C#C

CCCCCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21

CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=C=S)C(=O)OC(C)(C)C

CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C

CN1Cc2c(ncn2-c2ccc(Br)cc2C1=O)C(=O)OC(C)(C)C

CCCCC(=O)c1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21

Cc1noc(n1)-c1ncn-2c1[C@H]1CCCN1C(=O)c1cc(ccc-21)C#C

CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#CC[Si](C)(C)C

CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C

CN1Cc2c(CO)ncn2-c2ccc(Cl)cc2C1=O

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21

CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C |r|

COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#CC

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C=C)ccc-21

CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C

CC(C)N(Cc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21)C(C)C

CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(=O)OC(C)(C)C

CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(C)=O

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21

CCOC(=O)c1ncn-2c1[C@H]1CCCN1C(=O)c1cc(Br)ccc-21

CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C

CN1Cc2c(ncn2-c2ccc(I)cc2C1=O)C(=O)OC(C)(C)C

Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21

CN1Cc2c(ncn2-c2ccc(cc2C1=O)[N+]([O-])=O)C(=O)OC(C)(C)C

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(OCC)ccc-21

CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(C)cccc12

CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12

CCOC(=O)C1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12

CCOC(=O)[C@H]1C[C@H](CN(C1)C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)OCC

CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl

O=C(N1CCc2ccccc2C1)C(=O)c1c[nH]c2ccccc12

O=C(N1CCCC1Cc1ccccc1)C(=O)c1c[nH]c2ccccc12

O=C(OCc1ccccc1)C1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12

CN(Cc1ccccc1)C(=O)[C@H]1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12

CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12

O=C(NCc1ccccc1)C1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12

CN(Cc1ccccc1)C(=O)C1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12

CCOC(=O)[C@@H]1C[C@H](CN(C1)C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)OCC

CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12

O=C(N1Cc2ccccc2C1)C(=O)c1c[nH]c2ccccc12

NCCC[Se](O)=O

OC(=O)C1=CCNCC1 |t:3|

OP(=O)C1(O)CCNCC1

O[Se](=O)C1CCNCC1

C1CNCCC1S(=O)(=O)O

C(CC(=O)O)CN

OP(O)C1=CCNCC1 |t:3|

CP(O)(O)C1=CCNCC1 |t:4|

C1CNCCC1C(=O)O

OC(=O)Cc1cnc[nH]1

OP(O)(=O)C1CCNCC1

CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1ccccn1

CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1nccs1

CSc1sc(c2CC(C)(C)CC(=O)c12)-c1nccs1

CSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1cc[nH]n1

CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccncc1

CSc1sc(c2CC(C)(C)CC(=O)c12)-c1cccnc1

CC(C)Sc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CC1(C)Cc2c(sc(SSc3nccs3)c2C(=O)C1)-c1ccn[nH]1

CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccccn1

CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(cc2)N(C)C)n(C)c1=O

COc1ccc(cc1)-c1cc(-c2nc(C)ns2)c(=O)n(C)c1-c1ccncc1

COc1ccc(cc1)-c1cc(-c2cc(C)cs2)c(=O)n(C)c1-c1ccncc1

COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccnnc1

COc1ccc(cc1)-c1cc(-c2nc(C)no2)c(=O)n(C)c1-c1ccncc1

COc1ccc(cc1)-c1cc(-c2ccccc2)c(=O)n(C)c1-c1ccncc1

COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cccnc2)n(C)c1=O

COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1cccnc1

COc1ccc(cc1)-c1cc(C#N)c(=O)[nH]c1-c1ccc(cc1)N(C)C

COc1ccc(cc1)-c1cc(C#N)c(=O)n(C)c1-c1ccc(cc1)N(C)C

COc1ccc(cc1)-c1cc(-c2nccs2)c(=O)n(C)c1-c1ccncc1

COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O

COc1ccc(cc1)-c1cc(-c2noc(C)n2)c(=O)n(C)c1-c1ccncc1

COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1

Cc1csc(n1)-c1cc(-c2ccncc2)c(-c2ccncc2)n(C)c1=O

COc1ccc(cc1)-c1cc(-c2cccs2)c(=O)n(C)c1-c1ccncc1

COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccn2)n(C)c1=O

COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccncc1

CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|

COc1ccc(cc1)-c1cc(-c2noc(n2)C2CC2)c(=O)n(C)c1-c1ccncc1

COc1ccc(cc1)-c1cc(-c2ncc(C)s2)c(=O)n(C)c1-c1ccncc1

COc1ccc(cc1)-c1cc(C#N)c(OC)nc1-c1ccc(cc1)N(C)C

COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1

Cc1csc(n1)-c1cc(-c2ccc(F)cc2)c(-c2ccncc2)n(C)c1=O

COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O

COC(=O)c1cc(-c2ccccc2)c(-c2ccc(cc2)N(C)C)n(C)c1=O

CC(C)(C)Sc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CC1(C)Cc2c(csc2-c2cc[nH]n2)C(=O)C1

CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ncn(C)n1

CSc1sc(c2CC(C)(C)CC(=O)c12)-c1cncs1

CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccc[nH]1

CCc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CC1(C)Cc2c(sc(SCCCO)c2C(=O)C1)-c1nccs1

CC1(C)Cc2c(sc(Sc3cccs3)c2C(=O)C1)-c1ccn[nH]1

CC1(C)Cc2c(sc(NCCO)c2C(=O)C1)-c1cc[nH]n1

CNc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CSc1sc(c2CC(C)(C)CC(=O)c12)-c1nc(C)no1

COc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CC(C)Nc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CCCCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccccc1

CC1(C)Cc2c(sc(Sc3nccs3)c2C(=O)C1)-c1ccn[nH]1

CC1(C)Cc2c(sc(Sc3nccs3)c2C(=O)C1)-c1nccs1

CCCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CC(C)Oc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

CC1(C)Cc2c(sc(SCCCO)c2C(=O)C1)-c1cc[nH]n1

CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C

COc1ccccc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cccs1

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccc1

COc1ccc(cc1)-c1nnc2c3ccccc3c(=O)n(Cc3ccccc3)n12

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccsc1

CC(C)c1nnc2c3ccccc3c(OCc3ccccn3)nn12

C(Cc1ccccc1)Oc1nn2c(nnc2c2ccccc12)-c1ccccc1

COc1ccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)cc1

Cc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccn1

N#Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)c1

Cc1ccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)nc1

C=Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12

COc1nn2c(nnc2c2ccccc12)-c1ccccc1

COCCN(CCOC)c1nn2c(nnc2c2ccccc12)-c1ccc(OC)cc1

Cc1cccc(COc2nn3c(nnc3c3ccccc23)C2CC2)n1

C(Sc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccc1

CCCc1nnc2c3ccccc3c(OCc3ccccn3)nn12

CN(Cc1ccccc1)c1nn2c(nnc2c2ccccc12)-c1ccccc1

C(Oc1nn2c(nnc2c2ccccc12)C1CC1)c1ccccn1

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)C1CCCCC1

C(Oc1nn2c(nnc2c2CCCCCc12)-c1ccccc1)c1ccccn1

Cc1cccc2c(OCc3ccccn3)nn3c(nnc3c12)-c1ccccc1

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncn1

CC(C)(C)c1nnc2c3ccccc3c(OCc3ccccn3)nn12

COc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)c1

Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12

Cc1ccc2c3nnc(-c4ccccc4)n3nc(OCc3ccccn3)c2c1

O=C1N(CCn2n(Cc3ccccc3)c(=O)c3ccccc3c2=O)C(=O)c2ccccc12

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccco1

C(Oc1nn2c(nnc2c2C3CCC(CCC3)c12)-c1ccccc1)c1ccccn1

CN(C)Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12

C(Cc1ccccn1)Oc1nn2c(nnc2c2ccccc12)-c1ccccc1

O(c1ccccc1)c1nn2c(nnc2c2ccccc12)-c1ccccc1

CCc1nnc2c3ccccc3c(OCc3ccccn3)nn12

C(Oc1nn2c(Cc3ccccc3)nnc2c2ccccc12)c1ccccn1

C(COc1nn2c(nnc2c2ccccc12)-c1ccccc1)Cc1ccccc1

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)C1CCNCC1

Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1

C(Oc1nn2c(nnc2c2ccccc12)C1CCC1)c1ccccn1

Cc1ccnc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)c1

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccoc1

C(Nc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccc1

Cc1cccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cnccn1

COc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccc3)nn12

C(Oc1nn2c(nnc2c2CCCCc12)-c1ccccc1)c1ccccn1

Cc1ccc2c(OCc3ccccn3)nn3c(nnc3c2c1)-c1ccccc1

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncc1

Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1

Clc1ccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)cc1

Clc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)c1

Fc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12

CC(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccn1

Cc1cccc2c3nnc(-c4ccccc4)n3nc(OCc3ccccn3)c12

Clc1ccccc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1

C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cccnc1

Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccoc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)|

Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnnn3C)nn12

Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12

Cc1cc(no1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;4.28,-8.66,;3.65,-7.26,;4.79,-6.23,;6.12,-6.98,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)|

Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(4.36,-17.37,;3.02,-16.61,;1.69,-17.39,;.36,-16.62,;.36,-15.08,;1.69,-14.31,;1.69,-12.77,;.36,-12,;.36,-10.46,;1.69,-9.69,;1.69,-8.15,;2.83,-7.12,;2.2,-5.7,;.68,-5.88,;.36,-7.38,;-.97,-8.17,;-2.3,-7.38,;-3.08,-8.71,;-1.54,-9.13,;-2.3,-10.46,;-3.63,-9.71,;-3.63,-8.17,;-.97,-9.71,;4.35,-7.43,;5.35,-6.28,;6.87,-6.6,;7.35,-8.06,;6.32,-9.22,;4.81,-8.9,;3.02,-15.08,)|

Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)|

Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)|

Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |r,c:12,t:10|

Cc1cc(no1)-c1nnc2c3C4CCC(C4)c3c(OCc3ccccn3)nn12

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ncnn2C)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.61,1.44,;4.14,1.6,;4.46,3.1,;3.13,3.89,;2.96,5.41,;.68,-4.81,)|

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;2.99,3.98,;.68,-4.81,)|

Cc1cc(no1)-c1nnc2c3CCCCc3c(OCc3ccccn3)nn12

Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3Br)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.11,-4.2,;2.43,.41,;2.43,1.96,)|

CCc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(7.12,2.84,;5.86,3.73,;4.46,3.1,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)|

Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccc(C)c(C)n3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;2.46,-8.83,;3.79,-6.51,;5.12,-7.26,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|

Cc1nc(co1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(5.16,.46,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;4.46,3.1,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)|

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccco2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.61,1.44,;4.14,1.6,;4.46,3.1,;3.13,3.89,;.68,-4.81,)|

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cccs2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.61,1.44,;4.14,1.6,;4.46,3.1,;3.13,3.89,;.68,-4.81,)|

Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cc4ccccc4cn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.42,;1.41,4.26,;1.08,2.74,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;3.78,-4.98,;3.79,-6.51,;5.12,-7.26,;5.14,-8.8,;3.8,-9.59,;2.46,-8.83,;2.46,-7.29,;1.1,-6.52,;1.1,-4.98,;2.43,.41,;2.43,1.96,)|

Cc1cc(no1)-c1nnc2c3C4CCC(C4)c3c(OCc3cccc(C)n3)nn12

Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccnc3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2nc(no2)-c2ccncc2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;3.13,3.89,;4.46,3.1,;4.14,1.6,;2.61,1.44,;5.86,3.73,;7.12,2.82,;8.52,3.45,;8.68,4.99,;7.43,5.9,;6.03,5.27,;.68,-4.81,)|

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.13,;-1.98,-6.36,;-1.98,-4.82,;-.65,-4.05,;-.65,-2.51,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-6.01,2.1,;-6.01,.56,;-4.68,-.21,;-4.39,.88,;-5.2,1.68,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;3,3.98,;.68,-4.82,)|

Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ncc[nH]3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.2,-5.12,;1.69,-6.59,;3.23,-6.58,;3.69,-5.12,;2.43,.41,;2.43,1.96,)|

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2nc(no2)-c2ccccc2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-6.01,2.1,;-6.01,.56,;-4.68,-.21,;-4.39,.88,;-5.2,1.68,;-3.34,.55,;1.98,2.85,;3.13,3.89,;4.46,3.1,;4.14,1.6,;2.61,1.44,;5.86,3.73,;6.03,5.27,;7.43,5.9,;8.68,4.99,;8.52,3.45,;7.12,2.82,;.68,-4.81,)|

Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ncn(C)n2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.61,1.44,;4.14,1.6,;4.46,3.1,;5.86,3.73,;3.13,3.89,;.68,-4.81,)|

CC(C)c1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(7.12,2.84,;5.86,3.73,;6.03,5.27,;4.46,3.1,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)|

Cc1nc([o+][n-]1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc[n+]3[O-])nn12 |(8.97,3.57,;7.56,2.94,;6.21,3.71,;5.07,2.68,;5.7,1.28,;7.24,1.44,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.26,-4.57,;2.43,.41,;2.43,1.96,)|

Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2nc(no2)-c2cccnc2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;3.13,3.89,;4.46,3.1,;4.14,1.6,;2.61,1.44,;5.86,3.73,;6.03,5.27,;7.43,5.9,;8.68,4.99,;8.52,3.45,;7.12,2.82,;.68,-4.81,)|

Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.09,-4.18,;6.42,-3.41,;2.43,.41,;2.43,1.96,)|

Cc1nc(cs1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(5.16,.46,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;4.46,3.1,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)|

Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C

Cc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nn1 |(.35,-8.56,;.35,-7,;-.98,-6.24,;-.98,-4.71,;.35,-3.95,;.35,-2.42,;-.98,-1.64,;-.98,-.1,;.34,.67,;.34,2.21,;1.5,3.29,;.87,4.65,;-.65,4.49,;-.98,2.98,;-2.31,2.21,;-3.66,2.89,;-3.02,1.44,;-4.6,1.44,;-3.65,-.1,;-4.98,.67,;-4.98,2.21,;-2.31,.67,;3.02,2.97,;3.52,1.54,;5.03,1.23,;6.04,2.38,;5.54,3.85,;4.03,4.15,;1.67,-4.71,;1.68,-6.24,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1nccc2ccccc12 |(-.09,-2.02,;-1.42,-1.25,;-1.42,.3,;-.11,1.07,;-.11,2.61,;1.08,3.69,;.44,5.04,;-1.09,4.9,;-1.42,3.38,;-2.75,2.61,;-4.11,3.3,;-3.45,1.84,;-5.04,1.84,;-4.08,.3,;-5.42,1.07,;-5.42,2.61,;-2.75,1.07,;2.58,3.38,;3.59,4.55,;5.11,4.25,;5.61,2.77,;4.59,1.63,;3.07,1.93,;-.09,-3.54,;-1.42,-4.31,;-1.42,-5.83,;-.09,-6.6,;1.25,-5.83,;2.57,-6.58,;3.89,-5.81,;3.87,-4.29,;2.56,-3.54,;1.22,-4.31,)|

OCC1CCC(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)CC1 |(1.63,-9.04,;.29,-8.27,;.29,-6.73,;1.63,-5.96,;1.63,-4.41,;.29,-3.64,;.29,-2.1,;-1.04,-1.33,;-1.04,.2,;.28,.97,;.28,2.51,;1.45,3.59,;.82,4.94,;-.72,4.78,;-1.04,3.28,;-2.37,2.51,;-3.71,3.19,;-5.03,2.51,;-5.03,.97,;-3.7,.2,;-4.64,1.74,;-3.07,1.74,;-2.37,.97,;2.96,3.28,;3.45,1.82,;4.95,1.52,;5.97,2.68,;5.47,4.15,;3.97,4.43,;-1.03,-4.42,;-1.04,-5.96,)|

Cc1scnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.26,-4.74,;-.79,-5.23,;-.32,-6.68,;1.22,-6.68,;1.71,-5.23,;.45,-4.32,;.45,-2.76,;-.88,-2.01,;-.88,-.47,;.45,.3,;.45,1.84,;1.62,2.91,;.96,4.26,;-.55,4.12,;-.88,2.61,;-2.21,1.84,;-3.56,2.51,;-4.87,1.84,;-4.87,.3,;-3.54,-.47,;-4.47,1.07,;-2.91,1.07,;-2.21,.3,;3.11,2.59,;3.6,1.16,;5.12,.86,;6.12,2.01,;5.63,3.47,;4.11,3.77,)|

Clc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nn1 |(.35,-8.56,;.35,-7,;-.98,-6.24,;-.98,-4.71,;.35,-3.95,;.35,-2.42,;-.98,-1.64,;-.98,-.1,;.34,.67,;.34,2.21,;1.5,3.29,;.87,4.65,;-.65,4.49,;-.98,2.98,;-2.31,2.21,;-3.66,2.89,;-3.02,1.44,;-4.6,1.44,;-3.65,-.1,;-4.98,.67,;-4.98,2.21,;-2.31,.67,;3.02,2.97,;4.03,4.15,;5.54,3.85,;6.04,2.38,;5.03,1.23,;3.52,1.54,;1.67,-4.71,;1.68,-6.24,)|

Cn1ccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(2.89,-4.89,;2.58,-3.38,;3.59,-2.24,;2.83,-.91,;1.31,-1.22,;1.17,-2.76,;-.18,-3.53,;-1.49,-2.76,;-1.49,-1.22,;-.19,-.47,;-.19,1.09,;.98,2.15,;.35,3.52,;-1.18,3.35,;-1.49,1.84,;-2.84,1.09,;-4.18,1.77,;-5.5,1.09,;-5.5,-.47,;-4.17,-1.22,;-5.11,.3,;-3.54,.3,;-2.84,-.47,;2.5,1.84,;3.51,3,;5,2.71,;5.51,1.24,;4.49,.09,;2.99,.39,)|

Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)s1 |(1.98,-7.82,;1.07,-6.56,;-.47,-6.56,;-.95,-5.11,;.3,-4.2,;.3,-2.66,;-1.03,-1.9,;-1.03,-.36,;.3,.4,;.3,1.95,;1.47,3.01,;.82,4.38,;-.7,4.24,;-1.03,2.72,;-2.36,1.94,;-3.71,2.63,;-3.06,1.18,;-4.62,1.18,;-3.69,-.37,;-5.02,.4,;-5.02,1.94,;-2.36,.4,;2.96,2.71,;3.45,1.26,;4.97,.96,;5.97,2.12,;5.48,3.57,;3.97,3.89,;1.55,-5.11,)|

O=C(COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)N1CCCC1 |(2.06,-4.93,;.71,-4.15,;.71,-2.62,;-.62,-1.83,;-.62,-.29,;.71,.48,;.71,2.03,;1.88,3.1,;1.24,4.46,;-.3,4.29,;-.62,2.8,;-1.96,2.03,;-3.3,2.7,;-4.62,2.03,;-4.62,.48,;-3.29,-.29,;-4.22,1.24,;-2.66,1.24,;-1.96,.48,;3.4,2.8,;4.4,3.94,;5.9,3.66,;6.41,2.17,;5.39,1.02,;3.89,1.32,;-.62,-4.93,;-2.03,-4.3,;-3.06,-5.43,;-2.28,-6.77,;-.79,-6.46,)|

OCc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c1 |(2.84,-8.27,;2.84,-6.73,;1.5,-5.98,;.16,-6.76,;-1.16,-5.98,;-1.16,-4.45,;.17,-3.67,;.17,-2.13,;-1.16,-1.36,;-1.16,.19,;.16,.93,;.16,2.5,;1.31,3.52,;.69,4.95,;-.83,4.77,;-1.16,3.27,;-2.49,2.49,;-3.85,3.18,;-4.62,1.61,;-3.03,1.61,;-3.82,.18,;-5.16,.93,;-5.16,2.49,;-2.49,.93,;2.79,3.13,;3.19,1.64,;4.67,1.24,;5.76,2.34,;5.35,3.83,;3.86,4.21,;1.5,-4.42,)|

Cc1cccc(c1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(5.11,-.75,;4.7,.75,;5.79,1.84,;5.37,3.31,;3.88,3.71,;2.81,2.61,;3.2,1.14,;1.34,3.01,;.71,4.43,;-.81,4.27,;-1.14,2.77,;-2.47,1.98,;-3.82,2.68,;-3.17,1.23,;-4.73,1.23,;-3.8,-.33,;-5.13,.44,;-5.13,1.98,;-2.47,.44,;-1.14,-.31,;-1.14,-1.87,;.19,-2.62,;.19,-4.16,;-1.14,-4.92,;-1.14,-6.46,;.19,-7.24,;1.52,-6.46,;1.52,-4.92,;.19,.44,;.19,2,)|

Cc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.24,-4.13,;-.9,-4.88,;-.88,-6.42,;.47,-7.19,;1.8,-6.38,;1.77,-4.85,;.43,-4.09,;.43,-2.57,;-.9,-1.78,;-.9,-.26,;.42,.53,;.42,2.05,;1.59,3.14,;.96,4.48,;-.58,4.33,;-.9,2.82,;-2.23,2.05,;-3.57,2.73,;-4.89,2.05,;-4.89,.53,;-3.56,-.26,;-4.5,1.28,;-2.93,1.28,;-2.23,.53,;3.1,2.82,;4.09,3.98,;5.61,3.7,;6.11,2.22,;5.09,1.07,;3.59,1.37,)|

O=C1CCC(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)N1 |(1.98,-7.82,;1.08,-6.59,;-.46,-6.59,;-.93,-5.11,;.3,-4.21,;.3,-2.67,;-1.03,-1.9,;-1.03,-.36,;.29,.41,;.29,1.95,;1.45,3.03,;.82,4.38,;-.7,4.24,;-1.03,2.72,;-2.36,1.95,;-3.7,2.63,;-3.06,1.18,;-4.64,1.18,;-3.69,-.36,;-5.02,.41,;-5.02,1.95,;-2.36,.41,;2.96,2.72,;3.44,1.25,;4.95,.95,;5.97,2.12,;5.47,3.59,;3.97,3.89,;1.55,-5.11,)|

COc1ccccc1-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(2.56,-1.41,;2.16,.07,;3.23,1.16,;4.72,.76,;5.8,1.85,;5.4,3.33,;3.91,3.74,;2.84,2.63,;1.36,3.03,;.73,4.46,;-.79,4.3,;-1.12,2.78,;-2.45,2.01,;-3.8,2.7,;-3.15,1.24,;-4.72,1.24,;-3.78,-.29,;-5.12,.46,;-5.12,2.01,;-2.45,.46,;-1.12,-.29,;-1.12,-1.83,;.22,-2.62,;.22,-4.14,;-1.12,-4.91,;-1.12,-6.46,;.21,-7.22,;1.55,-6.46,;1.54,-4.91,;.21,.46,;.21,2.03,)|

CN(C(=O)COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccc1 |(.89,-6.28,;.89,-4.74,;-.44,-3.97,;-1.79,-4.74,;-.44,-2.43,;-1.79,-1.66,;-1.79,-.12,;-.46,.65,;-.46,2.19,;.68,3.21,;.08,4.61,;-1.45,4.45,;-1.79,2.96,;-3.1,2.19,;-4.45,2.86,;-5.22,1.3,;-3.66,1.3,;-4.43,-.12,;-5.78,.65,;-5.78,2.19,;-3.1,.65,;2.18,2.82,;3.24,3.89,;4.72,3.52,;5.13,2.02,;4.04,.93,;2.57,1.32,;2.22,-3.97,;3.55,-4.74,;4.88,-3.97,;4.88,-2.43,;3.55,-1.66,;2.22,-2.43,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1nc2ccccc2s1 |(.33,-1.83,;-1,-1.07,;-1,.46,;.33,1.23,;.33,2.77,;1.49,3.84,;.84,5.2,;-.68,5.06,;-1,3.55,;-2.33,2.77,;-3.69,3.45,;-4.99,2.77,;-4.99,1.23,;-3.68,.46,;-4.6,2.01,;-3.03,2.01,;-2.33,1.23,;2.99,3.54,;3.48,2.09,;5,1.79,;6,2.94,;5.51,4.4,;3.97,4.71,;.33,-3.38,;-.93,-4.28,;-.44,-5.74,;-1.23,-7.05,;-.46,-8.4,;1.08,-8.4,;1.87,-7.08,;1.1,-5.75,;1.56,-4.22,)|

Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)[nH]1 |(-1.25,-7.78,;-.34,-6.53,;1.19,-6.53,;1.68,-5.07,;.43,-4.16,;.43,-2.62,;-.91,-1.85,;-.91,-.29,;.42,.46,;.42,2.01,;1.57,3.03,;.94,4.44,;-.58,4.29,;-.91,2.78,;-2.24,2,;-3.59,2.69,;-4.36,1.14,;-2.78,1.14,;-3.57,-.31,;-4.91,.46,;-4.91,2,;-2.24,.46,;3.05,2.63,;4.12,3.73,;5.61,3.33,;6.01,1.85,;4.93,.76,;3.44,1.16,;-.81,-5.07,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cscn1 |(.37,-2.95,;-.96,-2.17,;-.96,-.64,;.37,.12,;.37,1.68,;1.54,2.74,;.89,4.11,;-.63,3.95,;-.96,2.45,;-2.29,1.66,;-3.65,2.35,;-4.96,1.66,;-4.96,.12,;-3.62,-.65,;-4.56,.9,;-2.99,.9,;-2.29,.12,;3.04,2.43,;3.53,.97,;5.05,.68,;6.06,1.84,;5.56,3.3,;4.05,3.59,;.37,-4.49,;-.88,-5.4,;-.4,-6.86,;1.15,-6.86,;1.62,-5.4,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1nnc[nH]1 |(.37,-2.96,;-.96,-2.18,;-.96,-.64,;.37,.12,;.37,1.68,;1.55,2.74,;.89,4.11,;-.63,3.95,;-.96,2.45,;-2.29,1.65,;-3.65,2.36,;-4.96,1.65,;-4.96,.12,;-3.63,-.66,;-4.57,.91,;-3,.91,;-2.29,.12,;3.04,2.43,;3.54,.98,;5.06,.68,;6.06,1.84,;5.57,3.3,;4.05,3.6,;.37,-4.5,;-.88,-5.39,;-.4,-6.86,;1.15,-6.87,;1.62,-5.35,)|

C(Oc1ccccn1)c1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-.97,-1.87,;.36,-2.65,;.36,-4.19,;-.97,-4.96,;-.97,-6.51,;.36,-7.28,;1.69,-6.5,;1.69,-4.96,;-.97,-.34,;.36,.42,;.36,1.99,;1.5,2.99,;.9,4.42,;-.65,4.25,;-.97,2.75,;-2.31,1.96,;-3.64,2.66,;-4.42,1.09,;-2.84,1.09,;-3.64,-.34,;-4.97,.42,;-4.97,1.96,;-2.31,.42,;2.99,2.6,;4.05,3.69,;5.55,3.3,;5.95,1.82,;4.87,.72,;3.4,1.12,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ncc[nH]1 |TLB:2:16:11.12:15.14,THB:8:9:11.12:15.14,(.38,-2.9,;-.97,-2.13,;-.97,-.58,;.37,.18,;.37,1.73,;1.5,2.75,;.9,4.16,;-.62,4.01,;-.97,2.5,;-2.28,1.72,;-3.64,2.41,;-4.41,.86,;-2.84,.86,;-3.62,-.59,;-4.97,.18,;-4.97,1.72,;-2.28,.18,;3,2.35,;4.08,3.45,;5.55,3.06,;5.97,1.57,;4.87,.48,;3.4,.88,;.38,-4.44,;-.86,-5.35,;-.37,-6.81,;1.15,-6.81,;1.62,-5.35,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccc2OCOc2c1 |(.19,-1.87,;-1.14,-1.1,;-1.14,.44,;.19,1.21,;.19,2.75,;1.33,3.77,;.71,5.17,;-.82,5.02,;-1.14,3.52,;-2.47,2.75,;-3.82,3.42,;-4.59,1.87,;-3.01,1.87,;-3.8,.44,;-5.13,1.21,;-5.13,2.75,;-2.47,1.21,;2.8,3.38,;3.88,4.47,;5.37,4.08,;5.76,2.58,;4.67,1.49,;3.2,1.89,;.19,-3.41,;-1.14,-4.18,;-1.14,-5.72,;.19,-6.49,;.19,-8.03,;2.03,-8.01,;2.85,-6.47,;1.52,-5.7,;1.52,-4.16,)|

Cn1ncnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.26,-4.74,;-.79,-5.21,;-.32,-6.67,;1.22,-6.68,;1.69,-5.16,;.45,-4.32,;.45,-2.78,;-.88,-2.01,;-.88,-.47,;.45,.28,;.45,1.84,;1.62,2.89,;.96,4.26,;-.55,4.12,;-.88,2.61,;-2.21,1.82,;-3.56,2.51,;-4.87,1.82,;-4.87,.28,;-3.54,-.47,;-4.47,1.07,;-2.91,1.07,;-2.21,.28,;3.11,2.59,;3.6,1.14,;5.12,.84,;6.12,2,;5.63,3.45,;4.11,3.77,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccco1 |(-.09,-3.72,;-1.4,-2.95,;-1.4,-1.41,;-.09,-.64,;-.09,.9,;1.1,1.98,;.45,3.34,;-1.08,3.18,;-1.4,1.68,;-2.74,.9,;-4.08,1.58,;-5.4,.9,;-5.4,-.64,;-4.07,-1.41,;-5,.13,;-3.45,.13,;-2.74,-.64,;2.6,1.68,;3.61,2.83,;5.12,2.54,;5.62,1.07,;4.59,-.09,;3.09,.21,;1.27,-2.95,;1.41,-1.41,;2.95,-1.08,;3.72,-2.42,;2.69,-3.56,)|

Cc1csc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(-1.26,-7.82,;-.35,-6.56,;1.19,-6.56,;1.66,-5.11,;.42,-4.2,;.42,-2.66,;-.91,-1.9,;-.91,-.36,;.42,.4,;.42,1.95,;1.59,3.01,;.93,4.38,;-.58,4.24,;-.91,2.72,;-2.24,1.94,;-3.59,2.63,;-2.94,1.18,;-4.5,1.18,;-3.57,-.37,;-4.9,.4,;-4.9,1.94,;-2.24,.4,;3.08,2.71,;3.57,1.26,;5.09,.96,;6.07,2.12,;5.6,3.57,;4.08,3.89,;-.83,-5.11,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)N1CCOCC1)c1ccccn1 |(.35,-2.83,;-.98,-2.06,;-.98,-.52,;.33,.25,;.33,1.79,;1.5,2.86,;.87,4.22,;-.65,4.08,;-.98,2.56,;-2.31,1.79,;-3.66,2.47,;-3.01,1.02,;-4.59,1.02,;-3.64,-.52,;-4.97,.25,;-4.97,1.79,;-2.31,.25,;3.04,2.86,;3.83,1.53,;5.37,1.53,;6.12,2.86,;5.35,4.19,;3.81,4.19,;.35,-4.37,;-1,-5.12,;-1,-6.66,;.33,-7.43,;1.68,-6.66,;1.68,-5.12,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1cccnc1)c1ccccn1 |(.37,-2.65,;-.96,-1.88,;-.96,-.34,;.37,.41,;.37,1.98,;1.52,2.99,;.9,4.41,;-.63,4.25,;-.96,2.75,;-2.29,1.96,;-3.64,2.66,;-2.99,1.21,;-4.56,1.21,;-3.62,-.34,;-4.96,.41,;-4.96,1.96,;-2.29,.41,;3,2.59,;3.4,1.11,;4.89,.72,;5.96,1.82,;5.56,3.3,;4.07,3.69,;.37,-4.19,;-.96,-4.96,;-.96,-6.51,;.37,-7.28,;1.71,-6.51,;1.71,-4.96,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccsc1)c1ccccn1 |(.57,-2.6,;-.76,-1.83,;-.76,-.29,;.56,.46,;.56,2.02,;1.71,3.05,;1.1,4.45,;-.44,4.29,;-.76,2.79,;-2.09,2,;-3.45,2.7,;-4.78,2,;-4.78,.46,;-3.42,-.31,;-4.36,1.25,;-2.79,1.25,;-2.09,.46,;3.2,2.7,;3.81,1.3,;5.35,1.44,;5.68,2.96,;4.35,3.73,;.57,-4.14,;-.76,-4.91,;-.76,-6.45,;.56,-7.22,;1.9,-6.45,;1.9,-4.91,)|

CN1CCCC(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)C1 |(2.92,-7.05,;1.59,-6.28,;.24,-7.08,;-1.09,-6.28,;-1.09,-4.77,;.26,-4,;.26,-2.46,;-1.07,-1.69,;-1.07,-.15,;.24,.62,;.24,2.16,;1.41,3.24,;.78,4.59,;-.74,4.45,;-1.07,2.93,;-2.4,2.16,;-3.75,2.84,;-3.1,1.39,;-4.68,1.39,;-3.73,-.15,;-5.06,.62,;-5.06,2.16,;-2.4,.62,;2.92,2.93,;3.39,1.46,;4.91,1.16,;5.93,2.33,;5.42,3.8,;3.93,4.1,;1.59,-4.74,)|

Fc1ccc(cc1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(7.2,1.37,;5.7,1.77,;5.31,3.26,;3.81,3.63,;2.74,2.54,;3.14,1.07,;4.63,.67,;1.27,2.96,;.64,4.36,;-.88,4.19,;-1.21,2.7,;-2.54,1.91,;-3.89,2.59,;-3.24,1.14,;-4.8,1.14,;-3.87,-.4,;-5.2,.37,;-5.2,1.91,;-2.54,.37,;-1.21,-.4,;-1.21,-1.94,;.12,-2.71,;.12,-4.25,;-1.21,-5,;-1.21,-6.54,;.12,-7.31,;1.46,-6.54,;1.46,-5,;.12,.37,;.12,1.91,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccncc1)c1ccccn1 |(.36,-2.74,;-.97,-1.97,;-.97,-.43,;.35,.33,;.35,1.88,;1.49,2.89,;.89,4.31,;-.65,4.15,;-.97,2.65,;-2.3,1.87,;-3.64,2.56,;-3,1.11,;-4.57,1.11,;-3.63,-.44,;-4.96,.33,;-4.96,1.87,;-2.3,.33,;2.99,2.56,;3.79,3.89,;5.32,3.87,;6.07,2.54,;5.28,1.21,;3.74,1.23,;.36,-4.28,;-.98,-5.05,;-.98,-6.59,;.35,-7.36,;1.69,-6.58,;1.69,-5.05,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)n1cccn1 |(-.09,-3.72,;-1.4,-2.95,;-1.4,-1.41,;-.09,-.64,;-.09,.9,;1.1,1.98,;.45,3.34,;-1.08,3.18,;-1.4,1.68,;-2.74,.9,;-4.08,1.58,;-5.4,.9,;-5.4,-.64,;-4.07,-1.41,;-5,.13,;-3.45,.13,;-2.74,-.64,;2.6,1.68,;3.61,2.83,;5.12,2.54,;5.62,1.07,;4.59,-.09,;3.09,.21,;1.27,-2.95,;1.41,-1.41,;2.95,-1.08,;3.72,-2.42,;2.69,-3.56,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccc2ccccc2n1 |(.12,-1.67,;-1.22,-.9,;-1.22,.65,;.1,1.42,;.1,2.96,;1.27,4.04,;.64,5.39,;-.89,5.25,;-1.22,3.73,;-2.55,2.96,;-3.9,3.66,;-5.21,2.96,;-5.21,1.42,;-3.88,.65,;-4.83,2.19,;-3.25,2.19,;-2.55,1.42,;2.79,3.73,;3.28,2.28,;4.79,1.98,;5.81,3.13,;5.31,4.6,;3.8,4.9,;.12,-3.19,;-1.22,-3.96,;-1.22,-5.48,;.12,-6.25,;.12,-7.79,;1.46,-8.54,;2.79,-7.77,;2.77,-6.23,;1.43,-5.48,;1.43,-3.96,)|

Cn1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(-1.26,-7.81,;-.35,-6.57,;1.19,-6.57,;1.66,-5.05,;.42,-4.21,;.42,-2.67,;-.91,-1.9,;-.91,-.36,;.42,.39,;.42,1.95,;1.59,3,;.93,4.38,;-.58,4.24,;-.91,2.72,;-2.24,1.93,;-3.6,2.63,;-4.9,1.93,;-4.9,.39,;-3.57,-.37,;-4.51,1.18,;-2.94,1.18,;-2.24,.39,;3.08,2.7,;3.57,1.25,;5.09,.95,;6.09,2.12,;5.6,3.56,;4.09,3.87,;-.83,-5.1,)|

Cn1nnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(-1.26,-7.81,;-.35,-6.57,;1.19,-6.57,;1.66,-5.05,;.42,-4.21,;.42,-2.67,;-.91,-1.9,;-.91,-.36,;.42,.39,;.42,1.95,;1.59,3,;.93,4.38,;-.58,4.24,;-.91,2.72,;-2.24,1.93,;-3.6,2.63,;-4.9,1.93,;-4.9,.39,;-3.57,-.37,;-4.51,1.18,;-2.94,1.18,;-2.24,.39,;3.08,2.7,;3.57,1.25,;5.09,.95,;6.09,2.12,;5.6,3.56,;4.09,3.87,;-.83,-5.1,)|

Cn1nnnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.26,-4.74,;-.79,-5.21,;-.32,-6.67,;1.22,-6.68,;1.69,-5.16,;.45,-4.32,;.45,-2.78,;-.88,-2.01,;-.88,-.47,;.45,.28,;.45,1.84,;1.62,2.89,;.96,4.26,;-.55,4.12,;-.88,2.61,;-2.21,1.82,;-3.56,2.51,;-4.87,1.82,;-4.87,.28,;-3.54,-.47,;-4.47,1.07,;-2.91,1.07,;-2.21,.28,;3.11,2.59,;3.6,1.14,;5.12,.84,;6.12,2,;5.63,3.45,;4.11,3.77,)|

CCCc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.64,-3.81,;-3.31,-4.56,;-1.96,-3.81,;-.63,-4.56,;-.63,-6.12,;.71,-6.87,;2.03,-6.12,;2.02,-4.56,;.71,-3.81,;.71,-2.27,;-.63,-1.52,;-.63,.04,;.69,.79,;.69,2.35,;1.85,3.4,;1.22,4.76,;-.3,4.6,;-.63,3.11,;-1.96,2.33,;-3.31,3.03,;-2.65,1.58,;-4.24,1.58,;-3.29,.02,;-4.62,.79,;-4.62,2.33,;-1.96,.79,;3.37,3.1,;3.86,1.65,;5.38,1.35,;6.38,2.51,;5.88,3.96,;4.37,4.27,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cccnn1 |(.36,-2.71,;-.97,-1.94,;-.97,-.41,;.34,.37,;.34,1.91,;1.52,2.98,;.89,4.34,;-.65,4.2,;-.97,2.69,;-2.31,1.91,;-3.65,2.59,;-3.01,1.15,;-4.58,1.15,;-3.64,-.41,;-4.97,.37,;-4.97,1.91,;-2.31,.37,;3.02,2.68,;4.03,3.85,;5.55,3.55,;6.06,2.08,;5.03,.93,;3.52,1.23,;.36,-4.24,;-.97,-5.01,;-.97,-6.53,;.36,-7.3,;1.69,-6.53,;1.68,-5.01,)|

Cc1ccnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c1C |(-2.17,-6.93,;-.83,-6.16,;.51,-6.93,;1.83,-6.16,;1.83,-4.62,;.51,-3.87,;.51,-2.33,;-.83,-1.56,;-.83,-.02,;.49,.74,;.49,2.29,;1.66,3.35,;1.03,4.71,;-.49,4.57,;-.83,3.07,;-2.15,2.28,;-3.49,2.96,;-2.85,1.52,;-4.43,1.52,;-3.48,-.03,;-4.82,.74,;-4.82,2.28,;-2.15,.74,;3.17,3.05,;3.66,1.59,;5.18,1.28,;6.19,2.45,;5.69,3.91,;4.18,4.2,;-.83,-4.62,;-2.15,-3.83,)|

COCCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.43,-7.89,;-4.4,-6.35,;-3.07,-5.58,;-3.07,-4.04,;-1.72,-3.29,;-.4,-4.06,;-.4,-5.58,;.93,-6.35,;2.27,-5.58,;2.25,-4.06,;.93,-3.3,;.93,-1.77,;-.4,-1,;-.4,.54,;.92,1.3,;.92,2.85,;2.08,3.91,;1.45,5.27,;-.07,5.13,;-.4,3.62,;-1.72,2.84,;-3.07,3.54,;-2.43,2.08,;-4.01,2.08,;-3.06,.53,;-4.38,1.3,;-4.38,2.84,;-1.72,1.3,;3.6,3.61,;4.09,2.17,;5.6,1.86,;6.61,3.01,;6.12,4.47,;4.6,4.78,)|

C(Oc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccc1 |(-2.47,-4.18,;-1.12,-3.42,;.22,-4.19,;.22,-5.71,;1.54,-6.49,;2.87,-5.71,;2.86,-4.19,;1.54,-3.43,;1.54,-1.9,;.22,-1.13,;.22,.41,;1.53,1.17,;1.53,2.72,;2.69,3.78,;2.06,5.14,;.54,5.01,;.22,3.49,;-1.12,2.71,;-2.47,3.4,;-1.82,1.95,;-3.4,1.95,;-2.45,.41,;-3.78,1.17,;-3.78,2.71,;-1.12,1.17,;4.21,3.48,;5.22,4.65,;6.73,4.36,;7.22,2.89,;6.21,1.73,;4.7,2.03,;-3.8,-3.39,;-3.78,-1.87,;-5.11,-1.08,;-6.46,-1.87,;-6.46,-3.39,;-5.13,-4.18,)|

N#Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c1 |(4.15,-7.52,;2.79,-6.77,;1.46,-6.02,;.12,-6.78,;-1.21,-6.02,;-1.21,-4.46,;.12,-3.71,;.12,-2.16,;-1.21,-1.39,;-1.21,.16,;.12,.91,;.12,2.47,;1.27,3.49,;.64,4.91,;-.88,4.77,;-1.21,3.25,;-2.54,2.47,;-3.9,3.15,;-4.68,1.61,;-3.08,1.61,;-3.88,.16,;-5.21,.91,;-5.21,2.47,;-2.54,.91,;2.75,3.11,;3.82,4.21,;5.32,3.79,;5.72,2.31,;4.64,1.23,;3.15,1.62,;1.46,-4.46,)|

N#Cc1ccccc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(4.12,-3.16,;2.79,-3.94,;1.46,-4.71,;1.46,-6.25,;.12,-7.02,;-1.21,-6.25,;-1.21,-4.71,;.12,-3.95,;.12,-2.41,;-1.21,-1.64,;-1.21,-.09,;.12,.67,;.12,2.22,;1.27,3.24,;.64,4.65,;-.88,4.5,;-1.21,2.99,;-2.54,2.21,;-3.9,2.9,;-4.67,1.35,;-3.08,1.35,;-3.87,-.1,;-5.21,.67,;-5.21,2.21,;-2.54,.67,;2.74,2.84,;3.82,3.94,;5.32,3.55,;5.71,2.06,;4.64,.97,;3.14,1.37,)|

Cc1ccnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c1 |(-2.24,-7.05,;-.9,-6.28,;.44,-7.05,;1.76,-6.28,;1.75,-4.74,;.44,-4,;.44,-2.46,;-.9,-1.69,;-.9,-.15,;.42,.6,;.42,2.16,;1.59,3.21,;.96,4.59,;-.56,4.43,;-.9,2.93,;-2.22,2.15,;-3.57,2.84,;-4.89,2.15,;-4.89,.6,;-3.56,-.16,;-4.5,1.39,;-2.92,1.39,;-2.22,.6,;3.1,2.92,;4.09,4.08,;5.62,3.77,;6.12,2.33,;5.11,1.16,;3.59,1.46,;-.9,-4.74,)|

CCn1ccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(1.69,-5.72,;2.83,-4.7,;2.5,-3.18,;3.53,-2.04,;2.76,-.71,;1.24,-1.03,;1.1,-2.57,;-.23,-3.34,;-1.56,-2.57,;-1.56,-1.03,;-.25,-.26,;-.25,1.28,;.92,2.35,;.29,3.7,;-1.24,3.55,;-1.56,2.05,;-2.89,1.28,;-4.24,1.95,;-5.55,1.28,;-5.55,-.26,;-4.22,-1.03,;-5.17,.51,;-3.59,.51,;-2.89,-.26,;2.43,2.05,;2.92,.58,;4.44,.28,;5.44,1.44,;4.95,2.91,;3.44,3.2,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ncccn1 |(.36,-2.71,;-.97,-1.94,;-.97,-.41,;.34,.37,;.34,1.91,;1.52,2.98,;.89,4.34,;-.65,4.2,;-.97,2.69,;-2.31,1.91,;-3.65,2.59,;-3.01,1.15,;-4.58,1.15,;-3.64,-.41,;-4.97,.37,;-4.97,1.91,;-2.31,.37,;3.02,2.68,;4.03,3.85,;5.55,3.55,;6.06,2.08,;5.03,.93,;3.52,1.23,;.36,-4.24,;1.68,-5.01,;1.69,-6.53,;.36,-7.3,;-.97,-6.53,;-.97,-5.01,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)C1CC1)c1ccccn1 |(.96,-2.43,;-.37,-1.68,;-.37,-.14,;.94,.63,;.94,2.17,;2.12,3.24,;1.47,4.59,;-.05,4.45,;-.37,2.95,;-1.7,2.17,;-3.06,2.85,;-2.4,1.41,;-3.98,1.41,;-3.03,-.15,;-4.36,.63,;-4.36,2.17,;-1.7,.63,;3.62,2.94,;4.78,1.91,;5.08,3.43,;.96,-3.99,;-.39,-4.73,;-.39,-6.27,;.94,-7.05,;2.29,-6.27,;2.29,-4.73,)|

COc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.46,-4.68,;-2.12,-3.94,;-.79,-4.71,;-.79,-6.23,;.56,-7,;1.88,-6.23,;1.87,-4.71,;.56,-3.94,;.56,-2.42,;-.79,-1.64,;-.79,-.1,;.54,.67,;.54,2.21,;1.71,3.29,;1.08,4.65,;-.46,4.49,;-.79,2.98,;-2.12,2.21,;-3.46,2.89,;-2.81,1.44,;-4.4,1.44,;-3.45,-.1,;-4.79,.67,;-4.79,2.21,;-2.12,.67,;3.23,2.98,;3.72,1.54,;5.24,1.23,;6.24,2.38,;5.74,3.85,;4.22,4.15,)|

CN(C)C(=O)COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.1,-5.21,;-.6,-5.61,;-.2,-7.09,;.48,-4.52,;2.02,-4.51,;.48,-2.98,;-.86,-2.21,;-.86,-.66,;.48,.11,;.48,1.65,;1.62,2.68,;1.01,4.08,;-.53,3.93,;-.86,2.42,;-2.19,1.65,;-3.53,2.33,;-4.3,.77,;-2.73,.77,;-3.52,-.66,;-4.86,.11,;-4.86,1.65,;-2.19,.11,;3.09,2.28,;4.17,3.37,;5.67,2.98,;6.06,1.49,;4.99,.4,;3.52,.8,)|

COC(=O)c1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.29,-1.49,;-1.95,-2.26,;-1.95,-3.8,;-3.29,-4.57,;-.61,-4.57,;-.61,-6.11,;.72,-6.88,;2.05,-6.11,;2.04,-4.57,;.72,-3.83,;.72,-2.27,;-.61,-1.52,;-.61,.02,;.71,.79,;.71,2.33,;1.87,3.4,;1.24,4.75,;-.28,4.6,;-.61,3.1,;-1.95,2.33,;-3.29,3.01,;-2.64,1.58,;-4.22,1.58,;-3.27,.02,;-4.6,.79,;-4.6,2.33,;-1.95,.79,;3.39,3.1,;4.39,4.26,;5.89,3.96,;6.4,2.51,;5.39,1.33,;3.88,1.65,)|

C(Oc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)C1CC1 |(-2.97,-4.38,;-1.62,-3.62,;-.29,-4.38,;-.29,-5.92,;1.03,-6.7,;2.36,-5.92,;2.36,-4.38,;1.03,-3.62,;1.03,-2.08,;-.29,-1.31,;-.29,.22,;1.03,.97,;1.03,2.53,;2.17,3.58,;1.57,4.93,;.03,4.79,;-.29,3.28,;-1.61,2.51,;-2.95,3.2,;-2.32,1.76,;-3.88,1.76,;-2.95,.2,;-4.28,.97,;-4.28,2.51,;-1.61,.97,;3.69,3.28,;4.69,4.44,;6.21,4.16,;6.7,2.69,;5.69,1.53,;4.17,1.83,;-4.28,-3.62,;-5.07,-2.27,;-5.83,-3.61,)|

Cc1cccc(CCCOc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(3.9,-8.59,;2.57,-7.82,;1.24,-8.59,;-.09,-7.82,;-.09,-6.28,;1.24,-5.53,;1.24,-3.99,;-.09,-3.22,;-.09,-1.68,;-1.42,-.91,;-1.42,.63,;-.09,1.39,;-.09,2.94,;1.07,4.01,;.44,5.36,;-1.09,5.22,;-1.42,3.7,;-2.75,2.93,;-4.08,3.62,;-5.41,2.93,;-5.41,1.39,;-4.08,.62,;-5.02,2.17,;-3.45,2.17,;-2.75,1.39,;2.57,3.7,;3.58,4.87,;5.09,4.57,;5.58,3.1,;4.56,1.95,;3.06,2.26,;2.57,-6.28,)|

Cc1cc(C)n(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(5.02,-2.5,;3.48,-2.33,;2.71,-1,;1.2,-1.33,;1.2,.21,;1.05,-2.85,;-.3,-3.62,;-1.63,-2.85,;-1.63,-1.33,;-.3,-.56,;-.3,.98,;.87,2.05,;.23,3.41,;-1.3,3.26,;-1.63,1.77,;-2.96,.98,;-4.29,1.66,;-5.62,.98,;-5.62,-.56,;-4.29,-1.33,;-5.22,.21,;-3.66,.21,;-2.96,-.56,;2.39,1.77,;3.38,2.91,;4.88,2.61,;5.39,1.14,;4.37,-.01,;2.87,.3,;2.46,-3.46,)|

Cc1cc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)sn1 |(-1.26,-7.81,;-.35,-6.57,;-.83,-5.1,;.42,-4.21,;.42,-2.67,;-.91,-1.9,;-.91,-.36,;.42,.39,;.42,1.95,;1.59,3,;.93,4.38,;-.58,4.24,;-.91,2.72,;-2.24,1.93,;-3.6,2.63,;-4.9,1.93,;-4.9,.39,;-3.57,-.37,;-4.51,1.18,;-2.94,1.18,;-2.24,.39,;3.08,2.7,;3.57,1.25,;5.09,.95,;6.09,2.12,;5.6,3.56,;4.09,3.87,;1.66,-5.05,;1.19,-6.57,)|

CSOc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)cc1 |(-.93,-10.24,;-.93,-8.7,;.4,-7.93,;.4,-6.39,;1.75,-5.61,;1.75,-4.07,;.4,-3.31,;.4,-1.77,;-.93,-1,;-.93,.54,;.38,1.3,;.38,2.85,;1.56,3.91,;.93,5.27,;-.6,5.13,;-.93,3.62,;-2.24,2.84,;-3.59,3.54,;-2.96,2.08,;-4.53,2.08,;-3.59,.53,;-4.9,1.3,;-4.9,2.84,;-2.24,1.3,;3.06,3.62,;4.07,4.78,;5.58,4.48,;6.07,3.01,;5.05,1.84,;3.55,2.15,;-.93,-4.08,;-.93,-5.61,)|

Cc1conc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.26,-4.74,;-.79,-5.23,;-.32,-6.68,;1.22,-6.68,;1.71,-5.23,;.45,-4.32,;.45,-2.76,;-.88,-2.01,;-.88,-.47,;.45,.3,;.45,1.84,;1.62,2.91,;.96,4.26,;-.55,4.12,;-.88,2.61,;-2.21,1.84,;-3.56,2.51,;-4.87,1.84,;-4.87,.3,;-3.54,-.47,;-4.47,1.07,;-2.91,1.07,;-2.21,.3,;3.11,2.59,;3.6,1.16,;5.12,.86,;6.12,2.01,;5.63,3.47,;4.11,3.77,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1nccn1Cc1ccccc1 |(-.27,-2.33,;-1.61,-1.56,;-1.61,-.03,;-.3,.72,;-.3,2.28,;.89,3.33,;.23,4.71,;-1.28,4.55,;-1.61,3.03,;-2.94,2.26,;-4.29,2.96,;-5.6,2.26,;-5.6,.72,;-4.26,-.05,;-5.2,1.49,;-3.63,1.49,;-2.94,.72,;2.39,3.03,;3.39,4.2,;4.9,3.89,;5.4,2.43,;4.39,1.28,;2.87,1.59,;1.05,-1.56,;1.22,-.03,;2.71,.3,;3.5,-1.05,;2.46,-2.2,;2.78,-3.69,;1.64,-4.71,;.19,-4.25,;-.95,-5.3,;-.63,-6.79,;.85,-7.26,;1.97,-6.23,)|

Cc1noc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(1.97,-7.79,;1.07,-6.56,;-.47,-6.56,;-.95,-5.1,;.3,-4.2,;.3,-2.66,;-1.03,-1.9,;-1.03,-.37,;.3,.39,;.3,1.95,;1.47,3,;.82,4.36,;-.7,4.23,;-1.03,2.72,;-2.35,1.93,;-3.7,2.63,;-5.01,1.93,;-5.01,.39,;-3.68,-.37,;-4.61,1.17,;-3.05,1.17,;-2.35,.39,;2.96,2.7,;3.45,1.26,;4.96,.95,;5.97,2.1,;5.48,3.56,;3.96,3.88,;1.54,-5.03,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccncc1 |(.36,-2.71,;-.97,-1.94,;-.97,-.4,;.33,.37,;.33,1.91,;1.5,2.99,;.87,4.36,;-.65,4.19,;-.97,2.68,;-2.3,1.91,;-3.66,2.59,;-3,1.14,;-4.59,1.14,;-3.63,-.4,;-4.96,.37,;-4.96,1.91,;-2.3,.37,;3.02,2.68,;3.51,1.23,;5.02,.93,;6.03,2.08,;5.54,3.55,;4.02,3.84,;.36,-4.23,;1.69,-4.99,;1.71,-6.53,;.4,-7.33,;-.95,-6.56,;-.97,-5.02,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cccnc1 |(.36,-2.71,;-.97,-1.94,;-.97,-.4,;.36,.37,;.36,1.91,;1.53,2.99,;.87,4.34,;-.65,4.21,;-.97,2.69,;-2.31,1.91,;-3.66,2.6,;-4.97,1.91,;-4.97,.37,;-3.64,-.4,;-4.58,1.15,;-3.01,1.15,;-2.31,.37,;3.02,2.69,;3.52,1.23,;5.03,.93,;6.04,2.08,;5.55,3.55,;4.03,3.85,;.36,-4.26,;-.97,-5.01,;-.97,-6.55,;.36,-7.33,;1.69,-6.55,;1.69,-5.01,)|

CCO[n+]1ccccc1Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(3.83,-.92,;2.5,-.15,;1.17,-.92,;1.17,-2.46,;2.48,-3.2,;2.5,-4.74,;1.15,-5.54,;-.18,-4.74,;-.18,-3.23,;-1.51,-2.46,;-1.51,-.92,;-.19,-.15,;-.19,1.39,;.98,2.47,;.35,3.82,;-1.18,3.68,;-1.51,2.17,;-2.84,1.39,;-4.18,2.07,;-3.54,.62,;-5.11,.62,;-4.17,-.92,;-5.5,-.15,;-5.5,1.39,;-2.84,-.15,;2.48,2.17,;2.97,.72,;4.48,.41,;5.48,1.56,;5,3.03,;3.48,3.33,)|

Cc1ccc(C)c(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(3.01,-6.91,;1.66,-6.16,;.33,-6.93,;-1,-6.16,;-1,-4.62,;-2.33,-3.83,;.33,-3.87,;.33,-2.33,;-1,-1.56,;-1,-.02,;.33,.74,;.33,2.29,;1.49,3.35,;.85,4.71,;-.67,4.57,;-1,3.07,;-2.33,2.28,;-3.68,2.96,;-3.03,1.52,;-4.6,1.52,;-3.66,-.03,;-4.99,.74,;-4.99,2.28,;-2.33,.74,;3.01,3.05,;4,4.2,;5.51,3.91,;6,2.45,;5,1.28,;3.5,1.59,;1.64,-4.62,)|

FC(F)(F)Oc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)cc1 |(-2,-8.83,;-.79,-8.13,;-2.29,-7.57,;-1.04,-9.71,;.54,-7.36,;.54,-5.82,;-.79,-5.05,;-.79,-3.51,;.56,-2.74,;.56,-1.2,;-.79,-.43,;-.79,1.11,;.54,1.86,;.54,3.42,;1.69,4.43,;1.07,5.85,;-.44,5.69,;-.79,4.19,;-2.1,3.4,;-3.45,4.1,;-4.78,3.4,;-4.78,1.86,;-3.45,1.09,;-2.65,2.54,;-4.22,2.54,;-2.1,1.86,;3.17,4.05,;3.57,2.56,;5.05,2.16,;6.14,3.26,;5.72,4.75,;4.25,5.13,;1.87,-3.51,;1.89,-5.05,)|

Cc1csc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(5.9,-.01,;5.01,1.25,;5.49,2.7,;4.26,3.62,;3,2.73,;3.49,1.24,;1.5,3.06,;.9,4.48,;-.65,4.32,;-.97,2.82,;-2.31,2.03,;-3.64,2.73,;-4.97,2.03,;-4.97,.49,;-3.64,-.28,;-4.58,1.28,;-3.01,1.28,;-2.31,.49,;-.97,-.27,;-.97,-1.81,;.36,-2.58,;.36,-4.12,;-.97,-4.89,;-.97,-6.44,;.36,-7.21,;1.69,-6.43,;1.69,-4.89,;.36,.49,;.36,2.05,)|

CN(C)Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c1 |(4.01,-8.48,;2.66,-7.71,;1.34,-8.5,;2.66,-6.17,;1.33,-5.42,;-.02,-6.19,;-1.35,-5.42,;-1.35,-3.88,;,-3.11,;,-1.57,;-1.35,-.8,;-1.35,.74,;-.02,1.49,;-.02,3.05,;1.13,4.05,;.51,5.48,;-1,5.31,;-1.35,3.82,;-2.66,3.03,;-4.01,3.73,;-4.78,2.16,;-3.21,2.16,;-3.99,.72,;-5.34,1.49,;-5.34,3.03,;-2.66,1.49,;2.61,3.68,;3.01,2.19,;4.49,1.79,;5.58,2.89,;5.16,4.38,;3.69,4.75,;1.31,-3.88,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cnc2ccccc2n1 |(.12,-1.67,;-1.21,-.9,;-1.21,.65,;.1,1.42,;.1,2.96,;1.27,4.03,;.64,5.39,;-.89,5.25,;-1.21,3.73,;-2.55,2.96,;-3.89,3.64,;-3.25,2.19,;-4.83,2.19,;-3.88,.65,;-5.21,1.42,;-5.21,2.96,;-2.55,1.42,;2.79,3.73,;3.79,4.9,;5.3,4.59,;5.8,3.12,;4.79,1.98,;3.28,2.28,;.12,-3.18,;-1.21,-3.95,;-1.21,-5.47,;.1,-6.24,;.12,-7.78,;1.46,-8.55,;2.79,-7.76,;2.78,-6.24,;1.45,-5.47,;1.43,-3.95,)|

OCc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)cc1 |(1.63,-8.98,;.29,-8.21,;.29,-6.67,;1.63,-5.89,;1.62,-4.35,;.3,-3.58,;.3,-2.05,;-1.04,-1.27,;-1.04,.27,;.29,1.02,;.29,2.58,;1.43,3.59,;.82,5.01,;-.7,4.83,;-1.04,3.34,;-2.36,2.56,;-3.71,3.26,;-4.48,1.68,;-2.91,1.68,;-3.69,.25,;-5.03,1.02,;-5.03,2.56,;-2.36,1.02,;2.92,3.21,;3.97,4.27,;5.47,3.9,;5.88,2.4,;4.79,1.31,;3.31,1.72,;-1.04,-4.36,;-1.04,-5.89,)|

Cc1ccc(cc1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(7.21,1.38,;5.71,1.77,;4.64,.68,;3.14,1.07,;2.74,2.55,;3.82,3.64,;5.32,3.25,;1.27,2.94,;.64,4.36,;-.88,4.2,;-1.21,2.7,;-2.54,1.91,;-3.9,2.6,;-3.24,1.16,;-4.81,1.16,;-3.87,-.41,;-5.21,.37,;-5.21,1.91,;-2.54,.37,;-1.21,-.4,;-1.21,-1.94,;.12,-2.71,;.12,-4.26,;-1.21,-5.01,;-1.21,-6.55,;.12,-7.33,;1.46,-6.55,;1.46,-5.01,;.12,.37,;.12,1.92,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccsc1 |(-.09,-3.71,;-1.4,-2.95,;-1.4,-1.41,;-.09,-.64,;-.09,.9,;1.1,1.98,;.45,3.33,;-1.07,3.17,;-1.4,1.67,;-2.73,.9,;-4.08,1.58,;-5.39,.9,;-5.39,-.64,;-4.06,-1.41,;-4.99,.13,;-3.45,.13,;-2.73,-.64,;2.6,1.67,;3.6,2.82,;5.11,2.54,;5.61,1.07,;4.58,-.09,;3.09,.21,;1.27,-2.95,;1.41,-1.41,;2.94,-1.08,;3.71,-2.41,;2.68,-3.55,)|

CCCn1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(-3.49,-8.34,;-2.59,-7.1,;-1.05,-7.28,;-.14,-6.03,;1.4,-6.03,;1.87,-4.51,;.63,-3.67,;.63,-2.13,;-.7,-1.36,;-.7,.18,;.63,.93,;.63,2.49,;1.78,3.54,;1.14,4.92,;-.37,4.75,;-.7,3.26,;-2.03,2.47,;-3.38,3.17,;-4.69,2.47,;-4.69,.93,;-3.36,.16,;-4.29,1.72,;-2.73,1.72,;-2.03,.93,;3.27,3.24,;3.78,1.79,;5.3,1.49,;6.3,2.65,;5.81,4.1,;4.29,4.4,;-.62,-4.56,)|

OCCCOc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(1.64,-7.28,;1.64,-5.74,;.29,-4.95,;.29,-3.43,;-1.03,-2.64,;-1.03,-1.12,;.29,-.36,;.29,1.21,;1.45,2.26,;.82,3.61,;-.72,3.47,;-1.03,1.98,;-2.36,1.18,;-3.7,1.87,;-5.02,1.18,;-5.02,-.36,;-3.7,-1.13,;-4.64,.42,;-3.07,.42,;-2.36,-.36,;2.97,1.95,;3.46,.49,;4.95,.19,;5.97,1.35,;5.48,2.82,;3.97,3.1,)|

N#Cc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.45,-3.2,;-2.12,-3.97,;-.79,-4.74,;-.79,-6.28,;.54,-7.06,;1.87,-6.28,;1.87,-4.74,;.54,-3.99,;.54,-2.46,;-.79,-1.68,;-.79,-.15,;.54,.61,;.54,2.17,;1.7,3.22,;1.07,4.59,;-.46,4.43,;-.79,2.93,;-2.12,2.15,;-3.45,2.84,;-2.82,1.39,;-4.39,1.39,;-3.45,-.15,;-4.78,.61,;-4.78,2.15,;-2.12,.61,;3.22,2.92,;3.71,1.46,;5.21,1.16,;6.23,2.33,;5.73,3.78,;4.21,4.08,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccc1 |(.37,-2.65,;-.97,-1.88,;-.97,-.34,;.36,.42,;.36,1.98,;1.5,2.99,;.89,4.41,;-.65,4.27,;-.97,2.75,;-2.29,1.96,;-3.65,2.66,;-4.42,1.1,;-2.84,1.1,;-3.64,-.35,;-4.97,.42,;-4.97,1.96,;-2.29,.42,;2.99,2.59,;4.07,3.71,;5.55,3.3,;5.94,1.82,;4.87,.72,;3.39,1.12,;.37,-4.19,;-.97,-4.95,;-.97,-6.5,;.36,-7.27,;1.71,-6.5,;1.69,-4.95,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cccs1 |(-.09,-3.72,;-1.4,-2.95,;-1.4,-1.41,;-.09,-.64,;-.09,.9,;1.1,1.98,;.45,3.34,;-1.08,3.18,;-1.4,1.68,;-2.74,.9,;-4.08,1.58,;-5.4,.9,;-5.4,-.64,;-4.07,-1.41,;-5,.13,;-3.45,.13,;-2.74,-.64,;2.6,1.68,;3.61,2.83,;5.12,2.54,;5.62,1.07,;4.59,-.09,;3.09,.21,;1.27,-2.95,;1.41,-1.41,;2.95,-1.08,;3.72,-2.42,;2.69,-3.56,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccncn1 |(.36,-2.71,;-.97,-1.94,;-.97,-.41,;.34,.37,;.34,1.91,;1.52,2.98,;.89,4.34,;-.65,4.2,;-.97,2.69,;-2.31,1.91,;-3.65,2.59,;-4.97,1.91,;-4.97,.37,;-3.64,-.41,;-4.58,1.15,;-3.01,1.15,;-2.31,.37,;3.02,2.68,;4.03,3.85,;5.55,3.55,;6.06,2.08,;5.03,.93,;3.52,1.23,;.36,-4.24,;-.97,-5.01,;-.97,-6.53,;.36,-7.3,;1.69,-6.53,;1.68,-5.01,)|

N#Cc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)cc1 |(.33,-9.72,;.33,-8.18,;.33,-6.64,;1.68,-5.87,;1.67,-4.33,;.33,-3.56,;.33,-2.02,;-1,-1.26,;-1,.3,;.33,1.04,;.33,2.61,;1.48,3.61,;.85,5.03,;-.67,4.86,;-1,3.36,;-2.33,2.58,;-3.68,3.28,;-4.45,1.72,;-2.86,1.72,;-3.66,.27,;-4.99,1.04,;-4.99,2.58,;-2.33,1.04,;2.95,3.22,;4.02,4.3,;5.52,3.92,;5.93,2.43,;4.84,1.35,;3.36,1.73,;-1,-4.33,;-1,-5.87,)|

COc1ccc(cc1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(8.01,2.37,;6.94,1.28,;5.44,1.68,;5.04,3.17,;3.55,3.56,;2.48,2.47,;2.87,1,;4.36,.6,;1,2.86,;.37,4.26,;-1.14,4.12,;-1.47,2.61,;-2.8,1.84,;-4.15,2.51,;-3.49,1.07,;-5.08,1.07,;-4.12,-.47,;-5.46,.3,;-5.46,1.84,;-2.8,.3,;-1.47,-.47,;-1.47,-2.01,;-.13,-2.78,;-.13,-4.32,;-1.47,-5.07,;-1.47,-6.61,;-.16,-7.38,;1.19,-6.61,;1.19,-5.07,;-.16,.3,;-.16,1.84,)|

CCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.36,-6.04,;-3.36,-4.5,;-2,-3.74,;-.67,-4.51,;-.67,-6.04,;.66,-6.81,;2,-6.04,;1.97,-4.51,;.66,-3.75,;.66,-2.22,;-.67,-1.45,;-.67,.09,;.64,.86,;.64,2.41,;1.81,3.48,;1.18,4.83,;-.34,4.69,;-.67,3.18,;-2,2.4,;-3.36,3.09,;-2.7,1.64,;-4.29,1.64,;-3.34,.09,;-4.67,.86,;-4.67,2.4,;-2,.86,;3.33,3.17,;4.33,4.34,;5.85,4.04,;6.34,2.57,;5.34,1.42,;3.82,1.72,)|

C1CC2CCC1c1c(Oc3cccnc3)nn3c(nnc3c21)-c1ccccc1 |(-4.85,.55,;-3.28,.55,;-3.92,2,;-5.23,1.32,;-5.23,-.22,;-3.91,-.99,;-2.58,-.22,;-1.24,-.99,;-1.24,-2.53,;.08,-3.29,;.1,-4.83,;1.43,-5.58,;2.76,-4.81,;2.74,-3.27,;1.41,-2.5,;.08,-.22,;.08,1.32,;1.24,2.4,;.59,3.75,;-.93,3.59,;-1.24,2.09,;-2.58,1.32,;2.74,2.09,;3.74,3.24,;5.26,2.96,;5.75,1.49,;4.74,.33,;3.24,.63,)|

C(Nc1ccccn1)c1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-.97,-1.87,;.37,-2.64,;.37,-4.18,;-.97,-4.95,;-.97,-6.49,;.36,-7.26,;1.7,-6.49,;1.69,-4.95,;-.97,-.33,;.36,.42,;.36,1.98,;1.5,2.99,;.89,4.4,;-.63,4.26,;-.97,2.75,;-2.29,1.96,;-3.63,2.65,;-4.4,1.1,;-2.84,1.1,;-3.62,-.35,;-4.96,.42,;-4.96,1.96,;-2.29,.42,;2.99,2.59,;4.06,3.7,;5.54,3.29,;5.95,1.81,;4.86,.72,;3.39,1.12,)|

O=C(Nc1ccccn1)c1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |TLB:9:23:19.18:22.21,THB:15:16:19.18:22.21,(-2.4,-2.19,;-.9,-1.8,;.45,-2.57,;.45,-4.11,;-.9,-4.88,;-.9,-6.42,;.44,-7.19,;1.78,-6.4,;1.76,-4.86,;-.9,-.26,;.44,.51,;.44,2.05,;1.57,3.08,;.96,4.48,;-.55,4.32,;-.9,2.82,;-2.21,2.05,;-3.56,2.73,;-4.33,1.17,;-2.77,1.17,;-3.54,-.26,;-4.89,.51,;-4.89,2.05,;-2.21,.51,;3.06,2.68,;3.46,1.19,;4.93,.79,;6.03,1.89,;5.62,3.38,;4.14,3.77,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccco1)c1ccccn1 |(.57,-2.58,;-.76,-1.81,;-.76,-.27,;.57,.49,;.57,2.05,;1.71,3.06,;1.11,4.48,;-.44,4.32,;-.76,2.82,;-2.1,2.03,;-3.45,2.73,;-4.76,2.03,;-4.76,.49,;-3.43,-.29,;-4.36,1.28,;-2.8,1.28,;-2.1,.49,;3.21,2.73,;3.7,1.24,;5.22,1.25,;5.71,2.7,;4.47,3.62,;.57,-4.12,;-.76,-4.89,;-.76,-6.44,;.57,-7.21,;1.9,-6.43,;1.9,-4.89,)|

CCCn1ncnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.6,-4.94,;-3.14,-5.42,;-2,-4.39,;-.53,-4.86,;-.05,-6.31,;1.49,-6.33,;1.96,-4.81,;.72,-3.95,;.72,-2.41,;-.61,-1.64,;-.61,-.12,;.72,.65,;.72,2.2,;1.89,3.26,;1.22,4.62,;-.28,4.48,;-.61,2.97,;-1.95,2.19,;-3.29,2.87,;-4.6,2.19,;-4.6,.65,;-3.27,-.12,;-4.2,1.42,;-2.64,1.42,;-1.95,.65,;3.39,2.96,;3.86,1.51,;5.39,1.21,;6.38,2.36,;5.89,3.82,;4.39,4.13,)|

OCCCCOc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(2.85,-7.75,;1.52,-6.98,;1.52,-5.44,;.19,-4.67,;.19,-3.13,;-1.14,-2.36,;-1.14,-.82,;.17,-.05,;.17,1.49,;1.34,2.56,;.71,3.91,;-.82,3.77,;-1.14,2.26,;-2.47,1.49,;-3.82,2.17,;-5.15,1.49,;-5.15,-.05,;-3.8,-.82,;-4.75,.72,;-3.17,.72,;-2.47,-.05,;2.85,2.26,;3.34,.81,;4.85,.51,;5.86,1.65,;5.37,3.12,;3.86,3.42,)|

Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1 |(.42,-8.41,;.42,-6.87,;1.75,-6.1,;1.74,-4.56,;.42,-3.81,;.42,-2.27,;-.9,-1.5,;-.9,.04,;.4,.79,;.4,2.35,;1.57,3.4,;.94,4.76,;-.58,4.6,;-.9,3.11,;-2.24,2.33,;-3.59,3.03,;-2.94,1.58,;-4.52,1.58,;-3.56,.02,;-4.9,.79,;-4.9,2.33,;-2.24,.79,;3.09,3.1,;3.58,1.65,;5.09,1.35,;6.1,2.51,;5.6,3.96,;4.09,4.26,;-.9,-4.56,;-2.24,-3.81,;-.9,-6.1,)|

Fc1ccccc1-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(2.22,.02,;3.31,1.11,;4.79,.72,;5.88,1.8,;5.47,3.29,;3.97,3.69,;2.92,2.59,;1.43,2.99,;.82,4.39,;-.7,4.24,;-1.04,2.73,;-2.36,1.96,;-3.71,2.64,;-3.06,1.21,;-4.64,1.21,;-3.69,-.35,;-5.03,.42,;-5.03,1.96,;-2.36,.42,;-1.04,-.35,;-1.04,-1.89,;.3,-2.66,;.3,-4.2,;-1.04,-4.95,;-1.04,-6.49,;.29,-7.26,;1.63,-6.49,;1.62,-4.95,;.29,.42,;.29,1.96,)|

Cc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nc1 |(.35,-8.55,;.35,-7.01,;-.98,-6.23,;-.98,-4.7,;.35,-3.95,;.35,-2.41,;-.98,-1.64,;-.98,-.1,;.33,.65,;.33,2.21,;1.5,3.27,;.87,4.64,;-.65,4.48,;-.98,2.99,;-2.31,2.21,;-3.66,2.89,;-4.97,2.21,;-4.97,.65,;-3.64,-.1,;-4.59,1.44,;-3.01,1.44,;-2.31,.65,;3.02,2.97,;3.51,1.51,;5.02,1.21,;6.03,2.37,;5.53,3.83,;4.02,4.12,;1.67,-4.7,;1.68,-6.23,)|

CN1CCCCC1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(2.92,-4.08,;1.59,-4.85,;1.59,-6.39,;.24,-7.17,;-1.09,-6.39,;-1.09,-4.86,;.26,-4.11,;.26,-2.57,;-1.07,-1.8,;-1.07,-.26,;.24,.51,;.24,2.05,;1.41,3.13,;.78,4.48,;-.74,4.33,;-1.07,2.82,;-2.4,2.05,;-3.75,2.73,;-3.1,1.28,;-4.68,1.28,;-3.73,-.26,;-5.06,.51,;-5.06,2.05,;-2.4,.51,;2.92,2.82,;3.39,1.37,;4.91,1.07,;5.93,2.22,;5.42,3.69,;3.93,4.01,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ncccc1OC1CCC1 |(.97,-1.94,;-.37,-1.15,;-.37,.37,;.94,1.14,;.94,2.7,;2.13,3.75,;1.49,5.11,;-.04,4.97,;-.37,3.46,;-1.7,2.68,;-3.04,3.36,;-2.4,1.91,;-3.97,1.91,;-3.03,.37,;-4.36,1.14,;-4.36,2.68,;-1.7,1.14,;3.63,3.45,;4.12,2,;5.64,1.7,;6.64,2.85,;6.15,4.31,;4.63,4.62,;.97,-3.46,;2.27,-4.21,;2.3,-5.75,;.97,-6.52,;-.37,-5.75,;-.37,-4.21,;-1.7,-3.46,;-3.04,-4.21,;-3.42,-5.71,;-4.9,-5.3,;-4.52,-3.81,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1nccs1 |(.37,-2.95,;-.96,-2.17,;-.96,-.64,;.37,.12,;.37,1.68,;1.54,2.74,;.89,4.11,;-.63,3.95,;-.96,2.45,;-2.29,1.66,;-3.65,2.35,;-2.99,.9,;-4.56,.9,;-3.62,-.65,;-4.96,.12,;-4.96,1.66,;-2.29,.12,;3.04,2.43,;3.53,.97,;5.05,.68,;6.06,1.84,;5.56,3.3,;4.05,3.59,;.37,-4.49,;-.88,-5.4,;-.4,-6.86,;1.15,-6.86,;1.62,-5.4,)|

Cc1ccccc1-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(2.22,.02,;3.31,1.12,;4.79,.72,;5.88,1.8,;5.47,3.29,;3.97,3.68,;2.92,2.58,;1.43,2.99,;.82,4.39,;-.7,4.24,;-1.04,2.73,;-2.36,1.95,;-3.71,2.65,;-3.06,1.21,;-4.64,1.21,;-3.69,-.36,;-5.03,.41,;-5.03,1.95,;-2.36,.41,;-1.04,-.33,;-1.04,-1.89,;.3,-2.64,;.3,-4.2,;-1.04,-4.95,;-1.04,-6.49,;.29,-7.26,;1.63,-6.49,;1.62,-4.95,;.29,.41,;.29,1.96,)|

COc1cccc(c1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(6.39,-1.11,;4.89,-.71,;4.5,.79,;5.57,1.87,;5.18,3.36,;3.68,3.76,;2.6,2.66,;3,1.18,;1.13,3.06,;.5,4.46,;-1.02,4.32,;-1.35,2.81,;-2.68,2.03,;-4.04,2.7,;-3.38,1.26,;-4.95,1.26,;-4.01,-.29,;-5.35,.48,;-5.35,2.03,;-2.68,.48,;-1.35,-.29,;-1.35,-1.83,;-.02,-2.6,;-.02,-4.15,;-1.35,-4.89,;-1.35,-6.44,;-.02,-7.21,;1.32,-6.44,;1.32,-4.89,;-.02,.48,;-.02,2.03,)|

Oc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.23,-4.07,;-.9,-4.85,;-.9,-6.38,;.44,-7.17,;1.76,-6.38,;1.75,-4.85,;.44,-4.11,;.44,-2.57,;-.9,-1.78,;-.9,-.26,;.42,.51,;.42,2.05,;1.6,3.12,;.96,4.47,;-.56,4.33,;-.9,2.84,;-2.23,2.05,;-3.57,2.73,;-2.92,1.3,;-4.5,1.3,;-3.56,-.26,;-4.89,.51,;-4.89,2.05,;-2.23,.51,;3.1,2.82,;4.09,3.97,;5.61,3.68,;6.12,2.23,;5.11,1.05,;3.59,1.35,)|

Cc1nc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)no1 |(1.97,-7.79,;1.07,-6.56,;1.54,-5.03,;.3,-4.2,;.3,-2.66,;-1.03,-1.9,;-1.03,-.37,;.3,.39,;.3,1.95,;1.47,3,;.82,4.36,;-.7,4.23,;-1.03,2.72,;-2.35,1.93,;-3.7,2.63,;-5.01,1.93,;-5.01,.39,;-3.68,-.37,;-4.61,1.17,;-3.05,1.17,;-2.35,.39,;2.96,2.7,;3.45,1.26,;4.96,.95,;5.97,2.1,;5.48,3.56,;3.96,3.88,;-.95,-5.1,;-.47,-6.56,)|

C(Cc1ccccn1)Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-.18,-2.55,;-.18,-4.09,;1.15,-4.86,;1.15,-6.41,;2.48,-7.17,;3.81,-6.4,;3.81,-4.84,;2.48,-4.09,;-1.51,-1.8,;-1.53,-.26,;-.19,.51,;-.19,2.05,;.97,3.12,;.33,4.47,;-1.21,4.33,;-1.53,2.83,;-2.86,2.05,;-4.19,2.73,;-3.56,1.28,;-5.13,1.28,;-4.19,-.26,;-5.53,.51,;-5.53,2.05,;-2.86,.51,;2.48,2.82,;3.49,3.98,;4.98,3.68,;5.49,2.22,;4.48,1.07,;2.97,1.37,)|

C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cnccn1 |(.36,-2.71,;-.97,-1.94,;-.97,-.41,;.34,.37,;.34,1.91,;1.52,2.98,;.89,4.34,;-.65,4.2,;-.97,2.69,;-2.31,1.91,;-3.65,2.59,;-3.01,1.15,;-4.58,1.15,;-3.64,-.41,;-4.97,.37,;-4.97,1.91,;-2.31,.37,;3.02,2.68,;4.03,3.85,;5.55,3.55,;6.06,2.08,;5.03,.93,;3.52,1.23,;.36,-4.24,;-.97,-5.01,;-.97,-6.53,;.36,-7.3,;1.69,-6.53,;1.68,-5.01,)|

Cn1ncnc1COc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1

Cn1ncnc1COc1nn2c(nnc2cc1C1CCCCC1)-c1ccccc1

CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F

C(Oc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1)c1ccccn1

Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1

Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1

CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ncccc1C#N

CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ncc(F)cc1F

CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1cccnc1

CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1C#N

CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cn1

CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1

CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)|

Cc1ccn2c(cnc2c1)-c1cccc(c1)-c1ccccc1C#N

Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(ccn12)C(F)(F)F

Cc1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N

Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(cnn12)C(F)(F)F

CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N

Cc1cnn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N

Cc1cnn2c(cnc2c1)-c1cccc(c1)-c1ccccc1C#N

CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cc(F)cc1C#N |(2.53,2.37,;3.87,1.59,;3.1,.25,;4.63,2.93,;5.21,.82,;5.21,-.72,;6.56,-1.49,;7.88,-.72,;9.34,-1.19,;10.25,.05,;9.35,1.3,;7.88,.82,;6.55,1.59,;9.75,-2.68,;8.67,-3.78,;9.07,-5.25,;10.56,-5.64,;10.96,-7.13,;11.65,-4.56,;11.23,-3.07,;13.13,-4.94,;13.54,-6.42,;12.46,-7.51,;15.03,-6.8,;16.11,-5.71,;17.63,-6.09,;15.69,-4.23,;14.22,-3.84,;13.82,-2.34,;13.42,-.84,)|

CCO\N=C(/C)c1ccc2n(cnc2c1)-c1cccc(c1)-c1cccnc1

Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1c(F)cc(F)cc1F

Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F

Cc1ncn-2c1Cn1nc(CC3CC3)nc1-c1cc(Br)ccc-21

Cc1noc(Cc2nc3-c4cc(Br)ccc4-n4cnc(C)c4Cn3n2)n1

Cc1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21

Cc1cc(Cc2nc3-c4cc(Br)ccc4-n4cnc(C)c4Cn3n2)on1

Cc1ncn-2c1Cn1nc(CN3CCCC3=O)nc1-c1cc(Br)ccc-21

COCc1nc2-c3cc(Br)ccc3-n3cnc(C)c3Cn2n1

Cc1ncn-2c1Cn1nc(nc1-c1cc(Br)ccc-21)C(C)(C)C

Cc1nc2-c3cc(Br)ccc3-n3cnc(C)c3Cn2n1

Cc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21

Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21

Clc1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21

FC(F)c1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21

FC(F)c1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21

CCOC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21

FC(F)(F)C(OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21)C(F)(F)F

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccco1

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccco1

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1cccs1

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1cccs1

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccccc1

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccccc1

CCCC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc21

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C(C)(C)C

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc21

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#Cc1ccc2[nH]c3cnc(cc3c2c1)C(=O)OC(C)(C)C

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#CC#Cc1ccc2[nH]c3cnc(cc3c2c1)C(=O)OC(C)(C)C

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21

FC(F)(F)C(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F

ClC(Cl)(Cl)COC(=O)c1cc2c(cn1)[nH]c1ccccc21

CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(Cl)(Cl)Cl

CCC(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21

CCC(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F

Fc1cc(F)c(OC(=O)c2cc3c(cn2)[nH]c2ccccc32)cc1F

CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)c1ccccc1

CC\C=C\C=C\Oc1cc2c(cn1)[nH]c1ccccc21

CCOc1cc2c(cn1)[nH]c1ccccc21

C[C@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F |r|

C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F |r|

CC[C@@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 |r|

CC[C@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 |r|

CC(C)(C)OC(=O)c1cc2c(cn1)n(C(=O)OC(C)(C)C)c1ccc(cc21)C#C

CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21

CCCOc1cc2c(cn1)[nH]c1ccccc21

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C[Si](C)(C)C

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C

CC(C)(C)OC(=O)c1ccc2[nH]c3ccc(cc3c2c1)C#Cc1ccc2[nH]c3ccc(cc3c2c1)C(=O)OC(C)(C)C

CCOC(=O)c1cc2c(cn1)[nH]c1ccccc21

C[Si](C)(C)C#Cc1ccc2[nH]c3cnc(cc3c2c1)C(=O)OCC(F)(F)F

CCOC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C[Si](C)(C)C

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C

CCCNC(=O)c1nnc2c(cccc2c1N)-c1ncccn1

CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1

Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1ncccn1

Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1cncnc1

CCCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1ncccn1

Cc1ccc2[nH]c(=O)n3c(nn(-c4ccccc4)c3=O)c2c1

Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O

Cc1ccc(cc1)-n1nc2c3cc(CCc4ccsc4)ccc3[nH]c(=O)n2c1=O

Cc1ccc(cc1)-n1nc2c3cc(CCc4cccnc4)ccc3[nH]c(=O)n2c1=O

CCSc1ccc(-c2ccccn2)c2CC(C)CC(=O)c12

CCSc1ccc(-c2cnccn2)c2CC(C)CC(=O)c12

CCSc1ccc(c2CCCC(=O)c12)-c1ccccn1

CCSc1ccc(-c2nccs2)c2CC(C)CC(=O)c12

CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1

CC1CC(=O)c2c(SCc3cnn[nH]3)ccc(-c3nccs3)c2C1

CSc1ccc(c2CC(C)CC(=O)c12)-c1ccccn1

CCSc1ccc(-c2ncco2)c2CC(C)CC(=O)c12

CSc1ccc(c2CC(C)(C)CC(=O)c12)-c1ccccn1

CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1

CCSc1ccc(c2CC(C)CC(=O)c12)-c1cccc[n+]1[O-]

COc1nc(CSc2ccc(-c3nccs3)c3CC(C)CC(=O)c23)ns1

CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccsc1 |c:10|

CN1c2ccc(Cl)cc2C(=NCC1=O)c1cccs1 |c:10|

COc1ccc2c(c1)[nH]c1c2[nH]cc2nc3ccccc3c12

[O-][N+](=O)c1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12 |t:10|

CN1c2ccc(F)cc2C(=NCC1=O)C1CCC1 |c:10|

c1ccc2c(c1)[nH]c1cnc3c(nc4ccccn34)c21

c1ccc2c(c1)[nH]c1c[nH]c3c4ccncc4nc3c21

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1ccccc-21

CN1c2ccccc2C(=NCC1=O)c1ccccc1 |c:9|

c1ccc2c(c1)[nH]c1c[nH]c3c4cccnc4nc3c21

CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21

O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1

CCCCCCCCOc1ccc2n(C)c3cnc(C(=O)OCC)c(CC)c3c2c1

Fc1ccc2NC(=O)CN=C(c3cccs3)c2c1 |t:9|

COC(=O)c1cc2c(c[nH]1)nc1ccc(NCc3ccc4ccccc4c3)cc21

Clc1ccc2c(c1)[nH]c1c2[nH]cc2nc3ccccc3c12

CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=[N+]=[N-])C(=O)OC(C)(C)C

O=C1CN=C(c2ccccc2)c2ccccc2N1 |t:3|

CCCOc1ccc2[nH]c3cnc(C(=O)NN)c(COC)c3c2c1

CN1c2ccc(Br)cc2C(=NCC1=O)c1ccccc1 |c:10|

Brc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1

c1ccc2c(c1)[nH]c1c[nH]c3c(nc4cccnc34)c21

CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C[Si](C)(C)C |c:9|

Brc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O

Clc1cc2c(c[nH]1)nc1ccccc21

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc-21

Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|

COC(=O)c1cc2c(c[nH]1)nc1ccc(NCc3ccccc3)cc21

O=c1n([nH]c2c1cnc1ccc(cc21)C#C)-c1ccccc1

CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccc5ccccc5c4)cc3c2c1CC

Clc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1

CCCOc1ccc2n(C)c3cnc(C(=O)OCC)c(COC)c3c2c1

COc1ccc2c3[nH]n(-c4ccccc4)c(=O)c3cnc2c1

S=C=Nc1cc2c(c[nH]1)nc1ccccc21

CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccco1 |c:10|

CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)NN

Fc1ccc2c(c1)[nH]c1c2[nH]cc2nc3ccccc3c12

Clc1cccn2c1nc1c2[nH]cc2nc3ccccc3c12

COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1

c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21

CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c2c1CC

[O-][N+](=O)c1ccc2[nH]c3c[nH]c4c5ccccc5nc4c3c2c1

COC(=O)c1cc2c(c[nH]1)nc1ccc(NC3CCCCC3)cc21

CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C |c:9|

COCc1c(SC#N)[nH]cc2nc3ccc(OCc4ccccc4)cc3c12

[O-][N+](=O)c1ccc2[nH]c3cnc(cc3c2c1)[N+]([O-])=O

C(Oc1ccc2c(c1)[nH]c1c2[nH]cc2nc3ccccc3c12)c1ccccc1

N#CSc1ccc2[nH]c3cnc(SC#N)cc3c2c1

CCOC(=O)c1[nH]cc2nc3ccc(O)cc3c2c1COC

CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#N |c:9|

O=c1n([nH]c2c1cnc1ccccc21)-c1ccc(cc1)C#C

C[Si](C)(C)C#Cc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O

CN1c2ccc(F)cc2C(=NCC1=O)c1cccs1 |c:10|

CCCC(=O)c1cc2c(c[nH]1)nc1ccccc21

CCOC(=O)c1cc2c(c[nH]1)nc1ccc(OCc3ccccc3)cc21

Fc1ccc(cc1-c1ccccc1C#N)-c1cnc2nc(ccn12)C(F)(F)F

CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N

Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F

CCOC(=O)C(C=Nc1ccc(OCC)cc1)C(=O)c1ccccc1Cl |w:6.5|

CCCn1cc2[nH]c3c(CC(C)(C)C)cccc3c(N)c2c1=O

CCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N

CCCNC(=O)c1nnc2c(cccc2c1N)-c1ccccc1

CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(C)ccc1C

CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(C)cccc1C |(2.64,-18.71,;1.31,-19.48,;1.31,-21.02,;-.02,-21.79,;-1.35,-21.03,;-1.36,-19.49,;-2.69,-21.8,;-2.68,-23.36,;-4.02,-24.13,;-5.37,-23.36,;-6.7,-24.13,;-8.04,-23.36,;-8.04,-21.82,;-6.71,-21.05,;-5.37,-21.81,;-4.04,-21.02,;-4.05,-19.48,;-6.71,-25.67,;-5.38,-26.43,;-4.05,-25.66,;-5.38,-27.97,;-6.71,-28.74,;-8.05,-27.97,;-8.04,-26.43,;-9.37,-25.65,)|

CCCNC(=O)c1nnc2c(cccc2c1N)-c1cccc(C)c1

CCCNC(=O)c1nnc2c(cccc2c1N)-c1ccccc1C

CCCNC(=O)c1nnc2c(cccc2c1N)-c1ccc(C)cc1C

CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(C)cc(C)c1

COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC1

COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC(C)C1 |(-4.24,-5.71,;-4.24,-4.17,;-5.58,-3.4,;-6.92,-4.18,;-8.25,-3.41,;-8.25,-1.87,;-9.58,-1.09,;-9.57,.45,;-6.91,-1.11,;-5.58,-1.87,;-6.91,.43,;-8.24,1.2,;-8.24,2.75,;-6.91,3.52,;-5.58,2.75,;-4.24,3.54,;-4.25,5.08,;-2.89,2.76,;-2.88,1.2,;-4.23,.43,;-5.57,1.2,;-1.56,3.54,;-1.56,5.08,;-.22,2.77,;1.11,3.54,;2.6,3.14,;3,4.63,;4.33,5.4,;1.51,5.02,)|

CCCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC

CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC

COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CCC1

CCNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC

COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC(C)C

COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NCCC(F)(F)F

COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NCCCO

CNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC

CCC(C)NC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC

COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1(C)CCC1

COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CC(C)C4)c3=O)[nH]c12 |(22.59,-18.14,;22.59,-16.6,;21.25,-15.83,;19.91,-16.61,;18.58,-15.83,;18.58,-14.29,;17.25,-13.52,;17.26,-11.98,;19.92,-13.54,;21.25,-14.29,;19.92,-12,;18.59,-11.23,;18.59,-9.68,;19.92,-8.91,;21.25,-9.67,;22.59,-8.89,;22.58,-7.35,;23.95,-9.66,;23.94,-11.22,;25.43,-11.71,;26.35,-10.44,;27.89,-10.45,;28.98,-11.54,;30.07,-10.45,;31.61,-10.45,;28.98,-9.36,;25.44,-9.18,;25.91,-7.71,;22.6,-12,;21.26,-11.23,)|

COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CCCC4)c3=O)[nH]c12

CCn1cc2[nH]c3c(cccc3c(N)c2c1=O)-c1cc(OC)ccc1OC

COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C)c3=O)[nH]c12

COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CCC4)c3=O)[nH]c12

CCC(C)(C)n1cc2[nH]c3c(cccc3c(N)c2c1=O)-c1cc(OC)ccc1OC

COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CC4)c3=O)[nH]c12

COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1 |(23.64,-5.48,;23.63,-3.94,;22.3,-3.17,;20.96,-3.95,;19.63,-3.17,;19.63,-1.63,;18.3,-.86,;16.96,-1.62,;20.97,-.88,;22.29,-1.63,;20.97,.66,;19.63,1.43,;18.3,.67,;19.64,2.98,;20.97,3.75,;22.3,2.99,;23.64,3.77,;23.63,5.31,;24.99,3,;24.99,1.44,;23.65,.66,;22.31,1.43,;26.33,3.78,;26.32,5.32,;27.66,3.01,;28.99,3.78,;30.53,3.78,;29.75,5.12,)|

CCCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1cc(OC)ccc1OC |(5.04,-12.13,;3.71,-12.9,;2.38,-12.14,;1.05,-12.91,;-.29,-12.14,;-.29,-10.6,;-1.62,-12.92,;-1.62,-14.48,;-2.97,-15.26,;-4.31,-14.49,;-5.65,-15.26,;-6.98,-14.49,;-8.32,-15.26,;-6.98,-12.94,;-5.65,-12.17,;-4.32,-12.94,;-2.98,-12.15,;-2.99,-10.61,;-5.65,-16.8,;-4.32,-17.56,;-4.32,-19.09,;-2.98,-19.86,;-2.98,-21.4,;-5.66,-19.87,;-6.99,-19.09,;-6.99,-17.55,;-8.32,-16.78,;-9.65,-17.54,)|

COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CCC1 |(23.69,-19.53,;23.69,-17.99,;22.35,-17.22,;21.01,-18,;19.68,-17.23,;19.68,-15.69,;18.35,-14.91,;17.02,-15.67,;21.02,-14.93,;22.35,-15.69,;21.02,-13.39,;19.69,-12.62,;18.35,-13.39,;19.69,-11.08,;21.02,-10.3,;22.35,-11.07,;23.69,-10.28,;23.68,-8.74,;25.05,-11.05,;25.05,-12.62,;23.7,-13.39,;22.36,-12.62,;26.38,-10.28,;26.38,-8.74,;27.72,-11.04,;29.05,-10.27,;30.53,-10.67,;30.92,-9.18,;29.44,-8.79,)|

CCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1cc(OC)ccc1OC |(3.42,-26.79,;2.08,-26.02,;.75,-26.79,;-.59,-26.03,;-.59,-24.49,;-1.92,-26.8,;-1.92,-28.37,;-3.26,-29.14,;-4.6,-28.37,;-5.94,-29.14,;-7.28,-28.37,;-8.61,-29.14,;-7.27,-26.83,;-5.95,-26.05,;-4.61,-26.82,;-3.27,-26.03,;-3.28,-24.49,;-5.95,-30.68,;-4.62,-31.44,;-4.61,-32.97,;-3.28,-33.74,;-3.28,-35.28,;-5.95,-33.75,;-7.29,-32.98,;-7.28,-31.44,;-8.61,-30.66,;-9.95,-31.42,)|

COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC(C)C |(22.83,-34.64,;22.82,-33.1,;21.49,-32.33,;20.15,-33.11,;18.82,-32.33,;18.82,-30.79,;17.49,-30.02,;16.15,-30.78,;20.16,-30.04,;21.49,-30.79,;20.16,-28.5,;18.83,-27.72,;17.49,-28.49,;18.83,-26.18,;20.16,-25.41,;21.49,-26.17,;22.83,-25.39,;22.82,-23.85,;24.18,-26.16,;24.18,-27.72,;22.84,-28.5,;21.5,-27.73,;25.52,-25.38,;25.51,-23.84,;26.85,-26.15,;28.18,-25.37,;29.52,-26.14,;28.18,-23.83,)|

COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c3c(cn(C4CC4)c3=O)[nH]c12 |(23.23,-49.55,;23.23,-48.01,;21.89,-47.25,;20.55,-48.02,;19.22,-47.25,;19.22,-45.71,;17.9,-44.93,;16.56,-45.7,;20.56,-44.95,;21.89,-45.71,;20.56,-43.41,;19.23,-42.64,;17.9,-43.41,;19.23,-41.1,;20.56,-40.33,;21.9,-41.09,;23.23,-40.3,;23.22,-38.77,;24.6,-41.08,;24.59,-42.64,;26.07,-43.13,;26.99,-41.88,;28.53,-41.89,;29.86,-42.66,;29.87,-41.12,;26.08,-40.61,;26.57,-39.15,;23.24,-43.41,;21.9,-42.65,)|

CCn1cc2[nH]c3c(c(F)ccc3c(N)c2c1=O)-c1cc(OC)ccc1OC |(3.23,1.19,;2.47,2.53,;.93,2.54,;0,1.29,;-1.48,1.78,;-2.82,1,;-4.16,1.77,;-5.5,1.01,;-6.83,1.78,;-8.16,1.01,;-6.83,3.32,;-5.5,4.09,;-4.16,3.33,;-2.83,4.11,;-2.84,5.65,;-1.47,3.34,;.02,3.81,;.51,5.27,;-5.5,-.53,;-4.17,-1.29,;-4.17,-2.83,;-2.83,-3.59,;-2.83,-5.13,;-5.51,-3.6,;-6.84,-2.83,;-6.83,-1.29,;-8.16,-.51,;-9.5,-1.28,)|

CCCNC(=O)c1nnc2c(cccc2c1N)-c1cnc(OC)nc1OC

CCCNC(=O)c1nnc2c(cccc2c1N)-c1cnccc1OC

CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(F)cccc1OC |(3.52,-21.84,;2.19,-22.61,;.85,-21.84,;-.48,-22.61,;-1.81,-21.84,;-1.81,-20.3,;-3.15,-22.61,;-3.16,-24.17,;-4.5,-24.95,;-5.84,-24.18,;-7.18,-24.95,;-8.51,-24.18,;-8.51,-22.63,;-7.18,-21.86,;-5.85,-22.63,;-4.51,-21.84,;-4.52,-20.3,;-7.18,-26.49,;-5.85,-27.25,;-4.52,-26.47,;-5.85,-28.78,;-7.19,-29.56,;-8.52,-28.78,;-8.52,-27.25,;-9.85,-26.47,;-9.84,-24.93,)|

CCCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1ccc(OC)cc1OC |(30.61,-19.8,;29.28,-20.57,;27.94,-19.8,;26.61,-20.57,;25.28,-19.8,;25.28,-18.26,;23.94,-20.57,;23.93,-22.13,;22.59,-22.9,;21.25,-22.14,;19.91,-22.9,;18.58,-22.13,;17.24,-22.9,;18.58,-20.59,;19.91,-19.82,;21.24,-20.58,;22.58,-19.79,;22.57,-18.25,;19.91,-24.44,;21.24,-25.2,;21.24,-26.74,;19.9,-27.51,;19.9,-29.05,;18.57,-29.82,;18.57,-26.74,;18.57,-25.2,;17.24,-24.42,;15.9,-25.19,)|

COc1ccc(c(OC)n1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1 |(-7.37,-43.23,;-6.03,-42.46,;-6.03,-40.92,;-4.69,-40.15,;-4.69,-38.61,;-6.02,-37.85,;-7.36,-38.61,;-8.69,-37.83,;-10.03,-38.6,;-7.36,-40.15,;-6.02,-36.31,;-7.35,-35.54,;-8.69,-36.31,;-7.35,-34,;-6.02,-33.23,;-4.69,-33.99,;-3.35,-33.2,;-3.36,-31.66,;-1.99,-33.98,;-2,-35.54,;-3.34,-36.31,;-4.68,-35.54,;-.65,-33.21,;-.65,-31.67,;.68,-33.98,;2.01,-33.21,;3.55,-33.2,;2.78,-31.87,)|

COc1ncc(C)cc1-c1cccc2c(N)c(nnc12)C(=O)NC1CC1

COc1ncccc1-c1cccc2c(N)c3c(cn(C4CCC4)c3=O)[nH]c12

COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c3c(cn(C4CCC4)c3=O)[nH]c12 |(-3.15,-48.69,;-3.15,-47.15,;-4.49,-46.38,;-5.83,-47.16,;-7.16,-46.39,;-7.16,-44.85,;-8.49,-44.07,;-9.83,-44.83,;-5.82,-44.09,;-4.49,-44.85,;-5.82,-42.55,;-7.15,-41.78,;-8.49,-42.55,;-7.15,-40.23,;-5.82,-39.46,;-4.49,-40.23,;-3.15,-39.44,;-3.16,-37.9,;-1.79,-40.22,;-1.8,-41.78,;-.31,-42.27,;.61,-41.01,;2.15,-41.02,;3.23,-42.12,;4.32,-41.04,;3.24,-39.94,;-.3,-39.74,;.19,-38.28,;-3.14,-42.55,;-4.48,-41.78,)|

CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(C)ccc1OC

COc1cc(c(OC)nn1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1 |(23.34,-39.57,;22.01,-40.34,;20.67,-39.57,;20.67,-38.03,;19.34,-37.28,;18,-38.03,;16.67,-37.26,;15.34,-38.02,;18,-39.57,;19.33,-40.35,;19.34,-35.74,;18.01,-34.97,;16.67,-35.73,;18.01,-33.42,;19.34,-32.65,;20.67,-33.41,;22.01,-32.63,;22,-31.09,;23.38,-33.4,;23.37,-34.96,;22.02,-35.74,;20.68,-34.97,;24.71,-32.63,;24.71,-31.09,;26.04,-33.4,;27.38,-32.63,;28.91,-32.63,;28.14,-31.29,)|

CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N