Compound Name

SMILES String

S(c1ccccn1)c1ncnc2c3ccccc3oc12

Cc1ccc(Nc2c3CCCc3nc3ncnn23)cc1

Cn1ncc(Cl)c1C(=O)N1CCc2ccccc12

C1Oc2ccc(cc2O1)C1=Nn2c(SC1)nnc2C1CCCCC1 |t:11|

Cc1cc(C(=O)N2CCc3ccccc23)n(n1)-c1ccccc1

COc1cccc(c1)-c1csc(NC(=O)C2CC2)n1

O=C\C(=C/Nc1ccccn1)c1nc2ccccc2o1

Cc1cc(C)n(CC(=O)n2c(C)c(C)c3ccccc23)n1

Cc1ccc(\C=N\NC(=O)c2csc(C)c2)o1

Cn1nccc1C(=O)N1CCc2ccccc12

Cc1cccc(NC(c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)n1

CCOc1ccc(Nc2[nH]c(=O)sc2C=C2C=CC(=O)C=C2)cc1 |c:17,21,(3.08,-6.25,;3.08,-4.71,;4.41,-3.94,;4.41,-2.4,;3.08,-1.63,;3.08,-.09,;4.41,.68,;4.41,2.22,;5.75,2.99,;5.91,4.52,;7.41,4.84,;8.04,6.25,;8.18,3.51,;7.15,2.36,;7.47,.86,;8.94,.38,;9.26,-1.12,;10.72,-1.6,;11.87,-.57,;13.33,-1.05,;11.55,.94,;10.08,1.41,;5.75,-.09,;5.75,-1.63,)|

Cc1cnc(NC(=O)CCCc2nc3ccccc3s2)s1

OC(=O)c1ccc(CSc2nnc(Cc3ccccc3)o2)cc1

CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1

CCn1ncc(\C=N/NC(=O)c2csc3ccccc23)c1C

Cc1ccc(o1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1 |c:9|

Cl.NC(=O)NC(=O)Cn1ccc(=N)c2ccccc12

Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1

COc1ccc2cc3c(N)nn(C(=O)c4ccccc4[N+]([O-])=O)c3nc2c1

COc1ccc2[nH]c3c(Cl)ncnc3c2c1

Cn1cc(C2CC(=NN2C(=O)c2ccccc2)c2ccccc2)c2ccccc12 |c:6|

Cc1c(NS(=O)(=O)c2ccc(NC3CCCC3)c(c2)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C

Cc1c(cnn1C)C(=O)N1CCc2ccccc12

Cc1nn(C)c(C(=O)N2CCc3ccccc23)c1Br

Cn1cc(Br)c(n1)C(=O)N1CCc2ccccc12

Cn1ncc(Br)c1C(=O)N1CCc2ccccc12

Cc1c(Br)c(nn1C)C(=O)N1CCc2ccccc12

Oc1cc(=O)[nH]c2nc(Nc3ccc(Cl)c(F)c3)sc12

CC(=O)c1cc(C(C)=O)c(C)nc1C

OCCNc1c2ccccc2nc2ccccc12

CC(Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1 |c:15|

CN(C)\C=C\c1nc(SCc2ccc(Cl)cc2)nnc1C

[O-]\C(=C(/C(=S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1cc(Cl)ccc1Cl

CC(C)CNC(=O)CSc1nnc2ccccn12

[O-][N+](=O)c1cccc(c1)-c1noc(n1)-c1ccco1

CN1C(=O)N(C)C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=S)NC2CC2)C1=O |(14.98,-2.98,;13.64,-3.75,;13.64,-5.29,;14.98,-6.06,;12.31,-6.06,;12.31,-7.6,;10.98,-5.29,;9.64,-6.06,;10.98,-3.75,;9.64,-2.98,;8.1,-2.98,;7.2,-4.22,;5.75,-3.75,;4.41,-4.52,;3.08,-3.75,;3.08,-2.21,;4.41,-1.44,;5.75,-2.21,;7.2,-1.74,;7.68,-.27,;6.65,.87,;7.13,2.34,;6.1,3.48,;4.6,3.16,;6.58,4.94,;5.55,6.09,;5.24,7.6,;4.09,6.57,;12.31,-2.98,;12.31,-1.44,)|

Cl.COc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1OC

COc1ccc(cc1OC)-c1noc(n1)-c1cccs1

CCCCN1C(=O)NC(=O)\C(=C(\O)/C=C/c2ccc3OCOc3c2)C1=O

C\C(=N/Nc1ncc(Br)cn1)c1cccc(c1)[N+]([O-])=O

CN(C)CC(CCC(CN(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1

ClCC(=O)c1cc2CC(=O)N3CCCc(c1)c23

CC1CN(Cc2ccccc2)c2nc3n(C)c(=O)n(CC=C)c(=O)c3n2C1

CC1CN(Cc2ccccc2)c2nc3n(C)c(=O)n(CC(N)=O)c(=O)c3n2C1

COc1ccc(cc1S(=O)(=O)NCc1cccc(C)c1)-c1cc(C)no1

CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)NCC(=O)OC(C)(C)C

CCCNC(=O)c1ccc(N2CCC3(CC(=NO3)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1 |c:15|

COc1ccc(C(=O)NC2CCCc3c2cnn3-c2cc(F)cc(F)c2)c(OC)c1OC

CN(c1cccc(C)c1C)c1ncnc2onc(-c3ccc(F)cc3)c12

COc1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccccc1C)c1ccccc1F)C(O)=O |c:11|

CCCC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)CCC)=C(N2CC2)C1=O |c:6,t:20|

CN(C)CCNc1ccc(CO)c2oc3ccc(O)cc3c(=O)c12

Cc1ccc(cc1)[C@H]1C[C@@H](O)[C@@H](CN1C(=O)c1cccs1)n1cc(nn1)-c1ccc(F)cc1

CN(Cc1ccccc1)C(=O)OCc1cn(Cc2ccccc2C)nn1

COc1ccc(\C=N\n2c(S)nnc2C(F)(F)F)cc1O

c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F

Cc1n[nH]c(C)c1CCCOc1ccccc1F

COc1c(Br)cc(\C=C2/SC(=O)NC2=O)cc1Br

CCOc1ccccc1-c1nc(no1)-c1ccncc1

CC1(C)NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:8|

Cc1ccc(O)c(Nc2ccccc2C(O)=O)c1Cl

O=C1C2C(Oc3[nH]c4ccccc4c3C2(C#N)C#N)c2ccccc12

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-]

c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F

FC(F)(F)c1cccc(\C=C2/SC(=O)NC2=O)c1

O=C1NC(=O)\C(S1)=C\c1cccc2ccccc12

CN1C(=N)NC(=O)\C1=C\c1cc(Br)c(O)c(Br)c1

Cc1n[nH]c(C)c1CCc1nc2c3ccccc3[nH]c(=S)n2n1

OC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(Cl)c(Cl)c1

COc1ccccc1CC(=O)c1ccc(O)cc1O

Cc1ccccc1\C=C1/SC(=O)NC1=O

Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O

OC(=O)Cc1ccccc1Nc1c(O)cccc1Cl

OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/SC(=O)NC2=O)o1

Oc1ccc2c(c1)oc(c(Oc1ccccc1Cl)c2=O)C(F)(F)F

Oc1ccccc1C1NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:14|

CSC1=NSC2=NC(=O)\C(=C/c3cccc4ccccc34)C(=N)N12 |t:2,5|

CCOc1cc(cc(Br)c1OCc1ccccc1C)C1NC(CS1)C(O)=O

Br[#6]-1=[#6]\[#6](-[#6]=[#6](Br)-[#6]-1=O)=[#7]/S(=O)(=O)c1ccccc1 |t:1,4|

Oc1nc(O)c2sc3nc(cc(Cc4ccccc4)c3c2n1)C(F)(F)F

O=C1NC(=O)\C(S1)=C\c1ccccc1OCc1ccccc1

CC1=C(CCC(O)=O)C(=O)N2C(Nc3ccccc23)C1C#N |c:1|

COc1cc(\C=C2\C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCc1ccccc1C |c:12,t:9|

Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1

CC(=O)Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1

CC(C)CCNC(=O)c1cnn2c(O)c(Cc3ccccc3F)c(C)nc12

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CNCCc23)c1C(F)(F)F

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCNCc23)c1C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CNCCc23)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCNCc23)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CNCc23)c(c1F)C(F)(F)F

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CNCCc23)c1Cl

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCNCc23)c1Cl

CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F

CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1

Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F

CNC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F

CCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1

COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CC4CC4)Cc23)c1C(F)(F)F

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(Cc23)C#N)c1C(F)(F)F

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CC(F)(F)F)Cc23)c1C(F)(F)F

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CCC(F)(F)F)Cc23)c1C(F)(F)F

COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(Cc23)C2COC2)c1C(F)(F)F

CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCC(F)(F)F)CCc23)c1C(F)(F)F

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C2COC2)c1C(F)(F)F

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)CCc23)c1C(F)(F)F

CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

CCC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

CC(C)C(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

CC(C)CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

CCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CC4CC4)Cc23)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(Cc23)C2COC2)c(c1F)C(F)(F)F

CC(C)(C)CN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

CNC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CCC(F)(F)F)Cc23)c(c1F)C(F)(F)F

COCCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(Cc23)C#N)c(c1F)C(F)(F)F

CCN1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)Cc23)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C2COC2)c(c1F)C(F)(F)F

CC(C)(C)CN1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

CNC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

COC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)c2ccccc2)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)c2ccccn2)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)c2cccnc2)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)c2ccncc2)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)N2CCCC2)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC(F)(F)F)Cc23)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCC(F)(F)F)Cc23)c(c1F)C(F)(F)F

COCCN1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C#N)c(c1F)C(F)(F)F

CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

CNC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

CN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

CNC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1

OC(=O)CN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

COC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C2COC2)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)CCc23)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCC(F)(F)F)CCc23)c(c1F)C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c(c1F)C(F)(F)F

CC(C)C(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

CCC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

CC(C)CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC(F)(F)F)CCc23)c(c1F)C(F)(F)F

CC(C)(C)CN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

COCCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)cc(F)c3C(F)(F)F)c2C1

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)N2CCCCC2)c(c1F)C(F)(F)F

Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1n[nH]c2CCN(CCC(F)(F)F)Cc12)C(F)(F)F

COC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)cc(F)c1C(F)(F)F

CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)cc(F)c1C(F)(F)F

Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F

Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1n[nH]c2CN(CC3CC3)CCc12)C(F)(F)F

Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1n[nH]c2CN(CCc12)C1COC1)C(F)(F)F

Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1n[nH]c2CN(CCc12)C#N)C(F)(F)F

Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1n[nH]c2CN(CC(F)(F)F)CCc12)C(F)(F)F

COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)cc(F)c3C(F)(F)F)c2C1

CNC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)cc(F)c1C(F)(F)F

CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)ccc1C(F)(F)F

CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)ccc3C(F)(F)F)c2C1

Fc1ccc(c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F

CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)ccc1Cl

CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)ccc3Cl)c2C1

Fc1ccc(Cl)c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)CCc23)c1Cl

COC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1Cl

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C2COC2)c1Cl

CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1Cl

CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3Cl)c2C1

Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1Cl

CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c2C1

COc1ccc2nnc(C(=O)N3CCC(CC3)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)n2c1

CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1c(F)cccc1C(F)(F)F

Fc1cccc(c1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F

CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)cc1C(F)(F)F

CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)cc3C(F)(F)F)c2C1

Fc1ccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c(c1)C(F)(F)F

FC(F)(F)c1ccc(Cl)cc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N

FC(F)(F)c1c(Cl)cccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N

CCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3Cl)c2C1

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CC4CC4)Cc23)c1Cl

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(Cc23)C2COC2)c1Cl

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CC(F)(F)F)Cc23)c1Cl

Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CCC(F)(F)F)Cc23)c1Cl

COCCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3Cl)c2C1

Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)N2CCNCC2)c(c1F)C(F)(F)F

CC(=O)c1ccccc1Nc1c(O)ccc(C)c1Cl

Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O

[NH3+]CCOCCOCCOc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl

OC(=O)c1ccccc1Nc1cc(Cl)c(OCCOCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)c(Cl)c1

OC(=O)c1ccc(cc1)-c1c(F)cccc1F

Cc1c(\C=C\c2occc2Cl)occ1C([O-])=O

Cc1oc(\C=C\c2occc2Cl)cc1C([O-])=O

OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1

[O-]c1c(Cl)cc(cc1Cl)-c1cc(Cl)c([O-])c(Cl)c1

[NH3+][C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O |r|

Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl

O=C1C2=C(Oc3[nH]c4ccccc4c3C2(C#N)C#N)c2ccccc12 |t:2|

c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl

c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl

Cc1n[nH]c(C)c1-c1cccc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

Cc1n[nH]c(C)c1-c1cccc2ncsc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

Cc1n[nH]c(C)c1-c1ccc(C)c2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

Cc1n[nH]c(C)c1-c1ccc(c2scnc12)C(F)(F)F |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;-4.98,1.48,;-6.12,.44,;-5.3,2.98,;-4.66,-.03,)|

Cc1n[nH]c(C)c1-c1ccc(C#N)c2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-6.44,1.95,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

Cc1nc2c(cccc2s1)-c1c(C)n[nH]c1C |(-3.67,-4.46,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;.88,-.43,;2.13,.48,;2.13,2.02,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,)|

Cc1[nH]nc(C#N)c1-c1cccc2scnc12 |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;2.13,2.02,;2.13,3.56,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

Cc1[nH]nc(C#N)c1-c1ccc(C)c2scnc12 |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;2.13,2.02,;2.13,3.56,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

Cc1[nH]nc(C#N)c1-c1ccc(c2scnc12)C(F)(F)F |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;2.13,2.02,;2.13,3.56,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;-4.98,1.48,;-6.12,.44,;-5.3,2.98,;-4.66,-.03,)|

Cc1n[nH]c(C)c1-c1nccc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

COc1ccc(-c2c(C)n[nH]c2C)c2ncsc12 |(-6.12,.44,;-4.98,1.48,;-3.51,1,;-2.37,2.03,;-.91,1.55,;-.59,.05,;.88,-.43,;2.13,.48,;2.13,2.02,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;-1.73,-.98,;-1.73,-2.52,;-3.19,-3,;-4.1,-1.75,;-3.19,-.51,)|

Cc1n[nH]c(C)c1-c1ccc(F)c2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

Cc1n[nH]c(C)c1-c1cc(C)cc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-2.69,3.54,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

COc1cc(-c2c(C)n[nH]c2C)c2ncsc2c1 |(-4.16,4.01,;-2.69,3.54,;-2.37,2.03,;-.91,1.55,;-.59,.05,;.88,-.43,;2.13,.48,;2.13,2.02,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;-1.73,-.98,;-1.73,-2.52,;-3.19,-3,;-4.1,-1.75,;-3.19,-.51,;-3.51,1,)|

Cc1n[nH]c(C)c1-c1cc(F)cc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-2.69,3.54,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

Cc1n[nH]c(C)c1-c1cc(cc2scnc12)C#N |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;-2.69,3.54,;-3.01,5.04,)|

Cc1n[nH]c(C)c1-c1c(F)ccc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;.24,2.58,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

Cc1[nH]nc(c1-c1cccc2scnc12)C(F)(F)F |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;2.13,2.02,;.79,2.79,;3.46,2.79,;3.46,1.25,)|

Cc1n[nH]c(C)c1-c1ccnc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|

CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1

COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O

c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O

Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O

[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])c(-[#8])c1

CCOC(=O)/C=C/c1ccc(c(c1)O)O

COC(=O)\C=C\c1ccc(O)c(O)c1

c1cc(c(cc1\C=C\C(=O)O)O)O

COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1OC

COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O

COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2

c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O

OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F

Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C

OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

Cc1c(cccc1Cl)Nc2ccccc2C(=O)O

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

OC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1

c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl

COc1cc(CCl)ccc1Oc1ccccc1

c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl

COc1cc(C=O)ccc1Oc1ccccc1

c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl

N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O

Clc1ccc(Cl)c(C(=O)Nc2nnc[nH]2)c1Cl

c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl

COc1cc(CO)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

Oc1cc(C=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

OCc1ccc(Oc2ccccc2)c(O)c1

COc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(O)=O

COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl

Oc1ccccc1-c1nnc(S)o1

COc1cc(ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

OC(=O)c1ccc(Oc2ccccc2)c(O)c1

COc1cc(ccc1Oc2ccccc2)C(=O)O

Cc1oc(\C=C\c2ccc(Cl)o2)cc1C(O)=O

Cc1c(\C=C\c2ccc(Cl)o2)occ1C(O)=O

N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|

Cc1oc(CSCc2cc(C(O)=O)c(C)o2)cc1C(O)=O

Oc1c(Cl)cc(cc1Cl)-c1cc(Cl)c(O)c(Cl)c1

Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O

[O-][N+](=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccccc12

CN1C(=O)\C(=N/c2ccc(cc2)[N+]([O-])=O)c2ccccc12

Oc1c(I)cc(I)cc1I

[O-][N+](=O)c1ccc2NC(=O)\C(=N/c3ccc(I)cc3)c2c1

c1ccc2c(c1)C(=O)C(=O)N2

CN1c2ccccc2C(=O)C1=O

O=C1Nc2ccccc2\C1=N\c1ccccc1

CN1C(=O)\C(=N/c2ccccc2)c2ccccc12

Ic1ccc2NC(=O)\C(=N/c3ccccc3)c2c1

Cc1ccc(cc1)\N=C1/C(=O)Nc2ccccc12

CN1C(=O)\C(=N/c2ccc(C)cc2)c2ccccc12

COc1ccc(cc1)\N=C1\C(=O)Nc2ccccc12

COc1ccc(cc1)\N=C1/C(=O)N(C)c2ccccc12

COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(C)cc12

COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(Br)cc12

COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(I)cc12

COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O

Ic1ccc(cc1)\N=C1/C(=O)Nc2ccccc12

CN1C(=O)\C(=N/c2ccc(I)cc2)c2ccccc12

Cc1ccc2NC(=O)\C(=N/c3ccc(I)cc3)c2c1

Brc1ccc2NC(=O)\C(=N/c3ccc(I)cc3)c2c1

Ic1ccc(cc1)\N=C1/C(=O)Nc2ccc(I)cc12

Cc1cc(\C=C\c2cc3ccc(O)cc3nc2Cl)cc(C)c1O

Cc1cc(cc(C)c1O)C#Cc1ccc2cc(ccc2n1)[N+]([O-])=O

Cc1cc(cc(C)c1O)C#Cc1ccc2cc(O)ccc2n1

Cc1cc(cc(C)c1O)C#Cc1ccc2cc(N)ccc2n1

Cc1cc(cc(C)c1O)C#Cc1ccc2ccccc2n1

c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O

c1cc2c(cccc2S(=O)(=O)O)c(c1)N

Cc1cc(cc(c1O)C)\C=C\c2cccc(c2)C(=O)Oc3ccc(cc3)F

Cc1cc(\C=C\c2cccc(c2)C(=O)Oc2ccccc2[N+]([O-])=O)cc(C)c1O

Cc1cc(\C=C\c2cccc(c2)C(=O)Sc2ccccc2)cc(C)c1O

Oc1c(Br)cc(\C=C\c2cccc(c2)C(=O)Sc2ccccc2)cc1Br

Cc1cc(\C=C\c2cccc(c2)C(O)=O)cc(C)c1O

Cc1cc(cc(c1O)C)\C=C\c2ccccc2

B(c1ccc(cc1)/C=C/c2cc(cc(c2)O)O)(O)O

c1cc(c(cc1O)Cl)/C=C/c2cc(cc(c2)O)O

B(c1ccc(c(c1)Cl)/C=C/c2cc(cc(c2)O)O)(O)O

c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O

B(c1ccc(cc1)/C=C/c2cccc(c2)C(=O)O)(O)O

Oc1ccc(\C=C\c2ccc(O)cc2Cl)c(Cl)c1

B(c1ccc(c(c1)Cl)/C=C/c2ccc(cc2Cl)B(O)O)(O)O

B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)C(=O)O)(O)O

c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2Cl)O

OB(O)c1cccc(\C=C\c2ccc(cc2Cl)B(O)O)c1

c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O

c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O |r|

c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F

Cc1n[nH]c(C)c1CCCOc1cc(ccc1I)C(O)=O

COC(=O)c1ccc(F)c(OCCCc2c(C)n[nH]c2C)c1

Cc1nn(C)c(C)c1CCCOc1cc(ccc1F)C(O)=O

Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]

CCc1n[nH]c(CC)c1CCCOc1cc(ccc1F)C(O)=O

OC(=O)c1cc(cc(I)c1O)-c1ccc(F)cc1F

C1COCCOCCOCCOCCOCCO1

Cc1cc(nc(n1)N1CCC(CC1)Oc1ccccc1C(F)(F)F)C(O)=O

Cc1cc(nc(n1)N1CCC(C1)Oc1ccccc1C(F)(F)F)C(O)=O

Cc1cc(nc(n1)N1CC(C1)Oc1ccccc1C(F)(F)F)C(O)=O

Cc1cc(nc(n1)N1CC(COc2ccccc2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2ccccc2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CC[C@@H](COc2ccccc2C(F)(F)F)C1)C(O)=O |r|

Cc1cc(nc(n1)N1CC[C@H](COc2ccccc2C(F)(F)F)C1)C(O)=O |r|

Cc1cc(nc(n1)N1CCCC(COc2ccccc2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC2(CCN(C2)c2ccccc2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(CSc2ccccc2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(CNc2ccccc2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(C1)OCc1ccccc1C(F)(F)F)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2ccccc2C(C)(C)C)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2ccccc2C2CCCC2)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2ccccc2C2CCCCC2)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2cccc(Cl)c2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2ccc(F)cc2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2cc(F)ccc2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2c(F)cccc2C(F)(F)F)C1)C(O)=O

COc1ccc(c(OCC2CCN(C2)c2nc(C)cc(n2)C(O)=O)c1)C(F)(F)F

Cc1cc(nc(n1)N1CCC(COc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2cnccc2C(F)(F)F)C1)C(O)=O

Cc1cc(nc(n1)N1CCC(COc2cccnc2C(F)(F)F)C1)C(O)=O

OC(=O)c1ccnc(n1)N1CCC(COc2ccccc2C(F)(F)F)C1

Cc1cc(nc(c1)C(O)=O)N1CCC(COc2ccccc2C(F)(F)F)C1

OC(=O)c1cccc(n1)N1CCC(COc2ccccc2C(F)(F)F)C1

OC(=O)c1cccnc1N1CCC(COc2ccccc2C(F)(F)F)C1

OC(=O)c1ccc(F)c(c1)N1CCC(COc2ccccc2C(F)(F)F)C1

Cc1cc(nc(n1)N1CCC(COc2ccccc2C(F)(F)F)C1)C(=O)NS(C)(=O)=O

Cc1cc(nc(n1)N1CCC(COc2ccccc2C(F)(F)F)C1)C(N)=O

CNC(=O)c1cc(C)nc(n1)N1CCC(COc2ccccc2C(F)(F)F)C1

Cc1cc(nc(n1)N1CCC(COc2ccccc2C(F)(F)F)C1)C(=O)NC1CC1

Cc1cc(nc(n1)N1CCC(COc2ccccc2C(F)(F)F)C1)-c1nn[nH]n1

c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O

[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1

Oc1cccc2C(=O)c3c(O)cccc3C(=O)c12

Oc1ccc(O)c2c(O)c3ccccc3c(O)c12

Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12

Nc1c(O)c(c(O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

Nc1ccc(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)S([O-])(=O)=O

c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O

Oc1ccc2C(=O)c3ccc(O)c(O)c3C(=O)c2c1

Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O

c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O

c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O

OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1

Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O

Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O

CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r|

OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1

OC(=O)c1ccc2C(=O)c3c(O)cccc3C(=O)c2c1

CC(=O)Oc1cccc2C(=O)c3cc(ccc3C(=O)c12)C(O)=O

Cc1cc(C(O)=O)c2C(=O)c3ccccc3C(=O)c2c1

OC(=O)c1cc(C(O)=O)c2C(=O)c3ccccc3C(=O)c2c1

Cc1cc(cc2C(=O)c3ccccc3C(=O)c12)C(O)=O

OC(=O)c1ccc2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)c2c1

c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O

OC(=O)c1cc(F)c2C(=O)c3ccccc3C(=O)c2c1

CCOc1cccc2C(=O)c3cc(ccc3C(=O)c12)C(O)=O

Cc1ccc2oc3ccccc3c(=O)c2c1

Cc1ccc2c(c1)oc1ccccc1c2=O

OC(=O)c1ccc2oc3ccccc3c(=O)c2c1

OC(=O)c1ccc2c(c1)oc1ccccc1c2=O

c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O

OC(=O)c1ccc2c(c1)oc1ccc(Cl)cc1c2=O

OC(=O)c1ccc2c(c1)oc1cc(Cl)ccc1c2=O

OC(=O)c1ccc2c(c1)oc1c(Cl)cccc1c2=O

OC(=O)c1ccc2oc3c(Cl)cccc3c(=O)c2c1

OC(=O)c1ccc2oc3cc(Cl)ccc3c(=O)c2c1

OC(=O)c1ccc2oc3ccc(Cl)cc3c(=O)c2c1

OC(=O)c1ccc2oc3cccc(Cl)c3c(=O)c2c1

c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O

OC(=O)c1cc(Cl)c2oc3c(Cl)cccc3c(=O)c2c1

Cc1cc(cc2c1oc1ccccc1c2=O)C(O)=O

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]

[#6]\[#6](-[#6])=[#6]\[#8]-c1ccc(\[#6]=[#6]\[#6](-[#8])-c2ccc(-[#8]\[#6]=[#6](\[#6])-[#6])cc2-[#8]-[#6]-[#6](-[#8])=O)cc1

CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl

CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl

Cc1n[nH]c(C)c1CCCOc1cc(OCCCc2cn(CCOCCOCCOCCOCCNC(=O)C3CCC(CN4C(=O)C=CC4=O)CC3)nn2)cc(c1)C(O)=O |c:47,(9.58,-37.95,;8.12,-38.43,;7.64,-39.9,;6.1,-39.89,;5.63,-38.43,;4.16,-37.96,;6.87,-37.52,;6.87,-35.98,;5.53,-35.21,;5.53,-33.67,;6.87,-32.9,;6.87,-31.36,;8.2,-30.59,;8.2,-29.04,;9.53,-28.27,;10.87,-29.03,;12.2,-28.26,;13.53,-29.02,;14.86,-28.25,;16.28,-28.86,;17.3,-27.71,;18.83,-27.87,;19.73,-26.62,;21.27,-26.77,;22.17,-25.52,;23.7,-25.68,;24.6,-24.43,;26.13,-24.59,;27.03,-23.34,;28.56,-23.49,;29.46,-22.24,;31,-22.4,;31.9,-21.15,;33.43,-21.3,;34.33,-20.05,;35.86,-20.21,;36.76,-18.96,;36.13,-17.56,;38.29,-19.12,;38.92,-20.52,;40.44,-20.68,;41.35,-19.43,;42.88,-19.59,;43.51,-21,;45.02,-21.32,;46.16,-20.28,;45.18,-22.85,;43.77,-23.47,;42.74,-22.33,;41.21,-22.49,;40.72,-18.03,;39.18,-17.86,;16.53,-26.38,;15.02,-26.71,;6.86,-28.28,;5.54,-29.05,;5.53,-30.59,;4.2,-28.28,;4.2,-26.74,;2.86,-29.05,)|

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(ccc1F)C(O)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cccc(c1)C(O)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(ccc1C(O)=O)C(O)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(ccc1C)C(O)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(ccc1C(F)(F)F)C(O)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(ccc1Cl)C(O)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cccc(C(O)=O)c1F

Cc1n[nH]c(C)c1N1CCN(CC1)c1ccc(F)c(c1)C(O)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(F)cc(c1)C(O)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(C(O)=O)c(C)cc1F

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(ccc1I)C(O)=O

[H][C@@]12CN(C[C@]1([H])CN(C2)c1cc(ccc1F)C(O)=O)c1c(C)n[nH]c1C |r|

Cc1n[nH]c(C)c1N1CCC2(CCN(C2)c2cc(ccc2F)C(O)=O)C1

Cc1n[nH]c(C)c1N1CC2(C1)CN(C2)c1cc(ccc1F)C(O)=O

Cc1noc(C)c1N1CCN(CC1)c1cc(ccc1F)C(O)=O

OC(=O)c1ccc(F)c(c1)N1CCN(CC1)c1nn[nH]n1

OC(=O)c1ccc(F)c(c1)N1CCN(CC1)c1ccccc1C(F)(F)F

Cc1n[nH]cc1CN1CCN(CC1)c1cc(ccc1F)C(O)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(ccc1F)C(N)=O

Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(ccc1F)-c1nn[nH]n1

Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccc(F)cc1

Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccc(cc1)C(F)(F)F

Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1cc(Cl)cc(Cl)c1

Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1cc(F)cc(F)c1

c1c(cc(cc1O)F)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]

Cc1cc(\C=C\c2c(C)c3ccc(N)cc3n(C)c2=O)cc(C)c1O

COc1cc2c(C)c(\C=C\c3cc(C)c(O)c(C)c3)c(=O)n(C)c2cc1N

Cc1cc(CCc2c(C)c3ccc(N)cc3n(C)c2=O)cc(C)c1O

Cc1cc(CCc2c(C)c3ccc(O)cc3n(C)c2=O)cc(C)c1O

[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)CC(SCCC(=O)NC(Cc3cn(CCOCCOCCNCCCCCCOc4cc(OCCCc5c(C)n[nH]c5C)cc(c4)C(O)=O)nn3)C(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C2=O)C(C)C)cc1)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1 |r|

[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCCCCN2C(=O)CC(SCCC(=O)NC(Cc3cn(CCOCCOCCNCCCCCCOc4cc(OCCCc5c(C)n[nH]c5C)cc(c4)C(O)=O)nn3)C(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C2=O)C(C)C)cc1)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1 |r|

Cc1n[nH]c(C)c1CCCOc1cc(OCCCCCCNCCOCCOCCN=[N+]=[N-])cc(c1)C(O)=O

Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|

Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)c(Cl)c1

Oc1cc(O)c2C(=O)CC(Oc2c1)c1cc(Cl)c(O)c(Cl)c1

Oc1cccc2OC(CC(=O)c12)c1cc(Cl)c(O)c(Cl)c1

Oc1ccc2C(=O)CC(Oc2c1)c1cc(Cl)c(O)c(Cl)c1

Oc1cc(O)c2C(=O)CC(Oc2c1)c1cc(Cl)cc(Cl)c1

CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br

CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I

CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)Br)O)Br

CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)I)O)I

CCCCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O

c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O

c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O

Oc1cc(O)cc(\C=C\c2c(O)cccc2O)c1

COc1cc(cc(c1)O)/C=C/c2ccc(cc2)O

COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O

CC(=O)Oc1ccc(\C=C\c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1

COc1cc(ccc1O)/C=C/c2cc(cc(c2)O)O

COc1cc(OC)cc(\C=C\c2ccc(OC)c(OC)c2)c1

COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1

Cc1n[nH]c(C)c1\C=C\c1cc(Br)c(OC(=O)c2c(F)cccc2F)c(Br)c1

Cc1n[nH]c(C)c1\C=C\c1cc(Br)c(OC(=O)c2ccc(F)cc2)c(Br)c1

Cc1n[nH]c(C)c1\C=C\c1cc(Br)c(OC(=O)c2c(F)cc(F)cc2F)c(Br)c1

CCc1c(c2c(o1)cccc2I)C(=O)c3cc(c(c(c3)I)O)I

CCc1oc2cccc(Br)c2c1C(=O)c1cc(I)c(O)c(I)c1

CCc1oc2cccc(Cl)c2c1C(=O)c1cc(I)c(O)c(I)c1

CCc1c(c2c(ccc(c2o1)Cl)Cl)C(=O)c3cc(c(c(c3)I)O)I

CCc1oc2cccc(C)c2c1C(=O)c1cc(I)c(O)c(I)c1