3090 SMILES Strings for Metabotropic glutamate receptor 2

Compound Name
SMILES String
Brc1c(ccn(CC2CC2)c1=O)N1CCC(CC1)c1ccccc1
Brc1cc(Br)c2nnn(CC3CC3)c2c1
Brc1ccc(CCN2CCn3c(C2)nc2ccccc32)cc1
Brc1ccc(CN2CCn3c(nc4cccc(Br)c34)C2=O)cc1
Brc1ccc(Cn2nnc3c(Br)cccc23)cc1
Brc1ccc(Cn2nnc3c(Br)cccc23)cn1
Brc1ccc(Cn2nnc3c(Br)cccc23)nc1
Brc1ccc(SCCCN2CCn3c(C2)nc2ccccc32)cc1
Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:5|
Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:5|
Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:5|
Brc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5|
Brc1cccc(c1)C1=Nc2ccc(NC(=O)OCc3ccccc3)cc2NC(=O)C1 |t:8|
Brc1cccc(c1)C1CC(=O)Nc2cc(NC(=O)OCc3ccccc3)ccc2N1 |w:5.7|
Brc1cccc(c1)C1CC(=O)Nc2cc(NC(=O)OCc3ccccc3)ccc2N1 |w:7.7|
Brc1cccc2n(CC3CC3)nnc12
Brc1cccc2n(CC3CCC3)nnc12
Brc1cccc2n(CC3CCCC3)nnc12
Brc1cccc2n(CC3CCCCC3)nnc12
Brc1cccc2n(Cc3ccccc3)nnc12
Brc1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Brc1cccc2nc3C(=O)N(CC4CCC4)CCn3c12
Brc1cccc2nc3C(=O)N(Cc4ccccc4)CCn3c12
C(=C/c1ccccc1)\c1nc(cs1)-c1cccc(c1)-c1ccccc1
C(C1CC1)c1nnc2cc(ccn12)-c1ccc2OCOc2c1
C(CCN1CCn2c(C1)nc1ccccc21)CCc1ccccc1
C(CCc1ccccc1)CN1CCn2c(C1)nc1ccccc21
C(CN1CCn2c(C1)nc1ccccc21)Cc1ccccc1
C(CSc1ccccc1)CN1CCn2c(C1)nc1ccccc21
C(Cc1ccccc1)N1CCn2c(C1)nc1ccccc21
C(Oc1ccccc1)C1[C@@H]2CN(Cc3cn4ccccc4n3)C[C@H]12 |r|
C(Oc1ccccc1)C1[C@@H]2CN(Cc3cnc4ccccc4c3)C[C@H]12 |r|
C(Oc1ccccc1)C1[C@@H]2CN(Cc3nc4cccc5CCCn3c45)C[C@H]12 |r|
C(Oc1ccccc1)C1[C@@H]2CN(Cc3nc4ccccc4n3C3CC3)C[C@H]12 |r|
C(Oc1ccccc1)C1[C@@H]2CN(Cc3nc4ccccc4s3)C[C@H]12 |r|
C(c1ccc(cc1)-c1ccccc1)n1nnc2ccccc12
C(c1ccccc1)n1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
C(c1ccccc1)n1nnc2ccccc12
C1COc2c(O1)cccc2-c1nc(cs1)-c1cccc(c1)-c1ccccc1
C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1
C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12
C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
CC(=C)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:9|
CC(=O)N1CCCn2nc(COc3ccccc3)cc12
CC(=O)NC(=O)c1ccc(COc2cc3CC(C)(C4CCCC4)C(=O)c3c(Cl)c2Cl)cc1
CC(=O)NC1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1
CC(=O)N[C@@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O |r|
CC(=O)N[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O |r|
CC(=O)Nc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
CC(=O)Nc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
CC(=O)Nc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
CC(=O)OC1(C(C)=O)C(=C)CC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C |t:16|
CC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(Br)c1O
CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
CC(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
CC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
CC(=O)c1ccc(OCc2ccc(Oc3cccc(c3)-c3nn[nH]n3)cc2)c(C)c1O
CC(=O)c1ccc(OCc2cccc(Oc3cc(ccn3)-c3nn[nH]n3)c2)c(Cl)c1O
CC(=O)c1ccc(OCc2cccc(Oc3cc(ccn3)-c3nn[nH]n3)c2)c(c1O)C(F)(F)F
CC(=O)c1ccc(OCc2cccc(Oc3ccc(cn3)-c3nn[nH]n3)c2)c(Cl)c1O
CC(=O)c1ccc(OCc2cccc(Oc3ccc(cn3)-c3nn[nH]n3)c2)c(F)c1O
CC(=O)c1ccc(OCc2cccc(Oc3ccc(cn3)-c3nn[nH]n3)c2)c(c1O)C(F)(F)F
CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
CC(=O)n1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccccc1
CC(C)(C)C1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CCN1
CC(C)(C)CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(OC=O)c2)c(Br)c1O
CC(C)(C)CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(OC=O)c2)c(I)c1O
CC(C)(C)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccc(F)cc1
CC(C)(C)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ncccn1
CC(C)(C)Cn1ccc2c(Br)c(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
CC(C)(C)Cn1ccc2cc(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
CC(C)(C)NC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:12|
CC(C)(C)OC(=O)N(Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)NCc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)CC(=O)c1ccnc(c1)C#N)C(=O)OC(C)(C)C
CC(C)(C)[C@H]1C[C@@H](CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)CCO1.CC(C)(C)[C@@H]1C[C@H](CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)CCO1 |r|
CC(C)(C)c1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
CC(C)(C)c1ccc(OC[C@@H]2CN(C(=O)O2)c2cccc(c2)C#N)cc1 |r|
CC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
CC(C)(C)c1ccc(OC[C@H]2CN(C(=O)O2)c2cccc(c2)C#N)cc1 |r|
CC(C)(C)c1ccc(cc1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
CC(C)(C)c1ccc(cc1)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
CC(C)(C)c1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
CC(C)(C)c1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
CC(C)(C)n1nccc1CN1CCc2c(C1)nc(cc2-c1ccncc1)C(N)=O
CC(C)(C)n1nncc1CN1CCc2c(C1)nc(cc2-c1c(F)cc(Cl)cc1F)C(N)=O |(-1.57,.85,;-3.06,.45,;-3.46,-1.04,;-1.97,-.64,;-4.15,1.54,;-5.61,1.06,;-6.52,2.31,;-5.61,3.56,;-4.15,3.08,;-2.82,3.85,;-1.48,3.08,;-1.48,1.54,;-.15,.77,;1.18,1.54,;1.18,3.08,;-.15,3.85,;2.52,3.85,;3.85,3.08,;3.85,1.54,;2.52,.77,;2.52,-.77,;3.85,-1.54,;5.19,-.77,;3.85,-3.08,;2.52,-3.85,;2.52,-5.39,;1.18,-3.08,;1.18,-1.54,;-.15,-.77,;5.19,3.85,;6.52,3.08,;5.19,5.39,)|
CC(C)(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(Cl)cc1
CC(C)(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(F)cc1
CC(C)(N)CCP(O)(O)=O
CC(C)(O)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:10|
CC(C)(O)c1ccc(cc1)-c1ccn2c(CC3CC3(F)F)nnc2c1
CC(C)(O)c1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1Cl
CC(C)C(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
CC(C)C(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
CC(C)C(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
CC(C)C(=O)c1ccc(OCc2ccc(CNC(=O)c3cn(C)cn3)cc2)c(c1O)C(F)(F)F
CC(C)C(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
CC(C)C1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CCN1
CC(C)C1Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O
CC(C)C1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O
CC(C)CC(=O)c1ccc(OCCCCOc2cc(ccc2C)C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(C(O)=O)c(C)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(C(O)=O)c(Cl)c2)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(C(O)=O)c(Cl)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(CCC(O)=O)c(O)c2)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(CCC(O)=O)c(O)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(\C=C\C(O)=O)c(O)c2)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(\C=C\C(O)=O)c(O)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(Br)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-n2cncn2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-n2cnnn2)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)C#N)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)C#N)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)C(O)=O)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2Cl)C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2F)C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccc3ccc(=O)oc3c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2cccc(F)c2F)c(Br)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2cccc(F)c2F)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2cccc(c2)C(O)=O)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2cccc(c2)C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2)c(Br)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2C(O)=O)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2F)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccccn2)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCOc2ccccn2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2cccnc2)c(Br)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2cccnc2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCOc2ccncc2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCSc2ccccn2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCSc2cccnc2)c(C)c1O
CC(C)CC(=O)c1ccc(OCCCCSc2ccncc2)c(Br)c1O
CC(C)CC(=O)c1ccc(OCCCCSc2ccncc2)c(C)c1C
CC(C)CC(=O)c1ccc(OCCCCSc2ccncc2)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2ccc(CSc3ccncc3)cc2)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2ccc(Sc3ccncc3)cc2)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(\C=C\C(O)=O)c(O)c3)c2)c(C)c1C
CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(\C=C\C(O)=O)c(O)c3)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C#N)c2)c(C)c1C
CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C#N)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C(O)=O)c2)c(C)c1C
CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C(O)=O)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2cccc(CSc3ccncc3)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2cccc(OCc3ccccn3)c2)c(C)c1C
CC(C)CC(=O)c1ccc(OCc2cccc(OCc3ccccn3)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2cccc(Sc3ccncc3)c2)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2cccc(c2)-c2ccc(Cl)c(c2)C(O)=O)c(C)c1C
CC(C)CC(=O)c1ccc(OCc2cccc(c2)-c2ccc(Cl)c(c2)C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
CC(C)CC(=O)c1ccc(OCc2ccccc2Sc2ccncc2)c(C)c1O
CC(C)CC1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)CCO1
CC(C)CC1COCCN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1
CC(C)CCN1Cc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2C1=O
CC(C)CCO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O |r|
CC(C)CCn1ccc(-c2ccc(NC3CCOCC3)c(Cl)c2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(Nc3ccncc3)cc2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(OC3CCCC3)c(Cl)c2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(OC3CCOCC3)c(Cl)c2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(OCC3CC3)c(Cl)c2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(OCC3CC3)cc2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(Oc3ccc(C)nc3C)cc2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(Oc3ccccn3)cc2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(Oc3cccnc3)cc2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(Oc3cccnc3C)cc2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(Oc3ccncc3)cc2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccc(cc2)N2CCOCC2)c(C#N)c1=O
CC(C)CCn1ccc(-c2ccccc2)c(C#N)c1=O
CC(C)CCn1ccc(CCc2ccccc2)c(C#N)c1=O
CC(C)CCn1ccc(N(C)Cc2ccccc2)c(C#N)c1=O
CC(C)CCn1ccc(N2CCC(CC2)c2ccc(F)cc2F)c(Cl)c1=O
CC(C)CCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
CC(C)CCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
CC(C)CCn1ccc(N2CCC(F)(CC2)c2ccccc2)c(Cl)c1=O
CC(C)CCn1ccc(N2CCCC(C2)c2ccccc2)c(C#N)c1=O
CC(C)CCn1ccc(N2CCCCC2)c(C#N)c1=O
CC(C)CCn1ccc(N2CCN(CC2)c2ccccc2)c(C#N)c1=O
CC(C)CCn1ccc(N2CCN(CC2)c2ccccn2)c(C#N)c1=O
CC(C)CCn1ccc(N2CCN(Cc3ccccc3)CC2)c(C#N)c1=O
CC(C)CCn1ccc(N2CCc3ccccc3C2)c(C#N)c1=O
CC(C)CCn1ccc(OCc2ccccc2)c(C#N)c1=O
CC(C)CCn1sc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2c1=O
CC(C)CN(C)c1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:9|
CC(C)CN1Cc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2C1=O
CC(C)CNc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnc1 |c:8|
CC(C)CNc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:8|
CC(C)COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CC(C)COc1cc(ccc1F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
CC(C)COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CC(C)C[C@@](N)(C1C[C@@H]1C(O)=O)C(O)=O
CC(C)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1
CC(C)Cn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
CC(C)Cn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
CC(C)Cn1nnc2c(Br)cccc12
CC(C)Cn1sc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2c1=O
CC(C)N1Cc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2C1=O
CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1ccc(F)cc1F
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
CC(C)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
CC(C)Nc1ccc(cc1F)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
CC(C)Nc1ccc(cc1F)-c1ccn2c(CC3CC3)nnc2c1Cl
CC(C)O\C(=C/n1cncn1)c1ccc(Cl)cc1Cl
CC(C)O\C(=C/n1cncn1)c1ccc(F)cc1F
CC(C)Oc1ccc(cc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CC(C)Oc1ccc(cc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
CC(C)Oc1ccc(cc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CC(C)Oc1ccc(cc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
CC(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
CC(C)Oc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:13,17,20|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@H](C)OC(=O)[C@@]1(N)[C@H]2[C@@H](C[C@H]1OCc1ccc(F)cc1)[C@@H]2C(O)=O |r|
CC(C)[C@@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
CC(C)[C@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
CC(C)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(Oc2ccc(C)nc2C)c(F)c1
CC(C)c1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
CC(C)c1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
CC(C)c1ccc(OCC2[C@@H]3CN(Cc4nc5ccccc5n4C)C[C@H]23)cc1 |r|
CC(C)c1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
CC(C)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:7|
CC(C)c1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
CC(C)c1ccccc1OCC1CN(C(=O)O1)c1ccccc1
CC(C)c1nc2ccccc2n1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
CC(C)c1ncc(s1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
CC(C)c1nccn1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
CC(C)c1noc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
CC(C)n1cc(cn1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
CC(C)n1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
CC(C)n1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(C)cc1F)C(N)=O
CC(C)n1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
CC(C)n1nccc1CN1CCc2c(cc(nc2C1C)C(N)=O)N1CCCCC1
CC(C)n1nccc1CN1CCc2c(nc(cc2-c2ccc(F)cc2F)C(N)=O)C1C
CC(CN1CCOCC1)Nc1cnc(cc1-c1ccc(F)cc1)C#N
CC(CN1CCOCC1)Nc1cnc(cc1-c1ccc(F)cc1)C(N)=O
CC(CNc1cnc(cc1-c1ccc(F)cc1)C#N)N1CCOCC1
CC(CNc1cnc(cc1-c1ccc(F)cc1)C(N)=O)N1CCOCC1
CC(COc1ccccc1)Oc1ccn(-c2ccc(F)cc2)c(=O)c1
CC(COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1
CC(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(F)cc1
CC(COc1ccnc(c1)C(F)(F)F)Oc1cnc(cc1-c1ccc(F)cc1)C(N)=O
CC(COc1cnc(cc1-c1ccc(F)cc1)C#N)Oc1ccc(C)nc1
CC(COc1cnc(cc1-c1ccc(F)cc1)C#N)Oc1ccnc(c1)C(F)(F)F
CC(COc1cnc(cc1-c1ccc(F)cc1)C(N)=O)Oc1ccc(C)nc1
CC(COc1cnc(cc1-c1ccc(F)cc1)C(N)=O)Oc1cccnc1
CC(COc1cnc(cc1-c1ccc(F)cc1)C(N)=O)Oc1ccnc(c1)C(F)(F)F
CC(COc1cnc(cc1-c1ccc(F)cc1)C(N)=O)Oc1cnc(C)nc1
CC(Cc1ccc(C)nc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
CC(Cc1cccnc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
CC(N)(C(O)=O)c1ccc(cc1)-n1cnnn1
CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
CC(N)(C(O)=O)c1ccc(cc1)S(O)(=O)=O
CC(N)(C1CC1C(O)=O)C(O)=O
CC(N)(CCP(O)(O)=O)C(O)=O
CC(N1CCCCC1)c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
CC(N1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O)c1ccnn1C
CC(N1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O)c1cnnn1C
CC(N1CCc2c(C1)nc(cc2-c1cnn(c1)C(F)F)C(N)=O)c1ccnc(c1)C(F)(F)F
CC(O)c1ccc(cc1)N1C[C@H](C)n2ncc(c2C1=O)-c1ccnc(C)c1 |r|
CC(Oc1ccc(CN2CC(C)OC2=O)cc1)C1CCCCC1
CC(Oc1ccc(CN2CCCOC2=O)cc1)C1CCCCC1
CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cc1)C1CCCCC1 |r|
CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cn1)C1CCCCC1 |r|
CC(Oc1ccc(CN2C[C@H](C)OC2=O)cc1)C1CCCCC1 |r|
CC(Oc1cnc(cc1-c1ccc(F)cc1)C#N)c1cccnc1
CC(Oc1cnc(cc1-c1ccc(F)cc1)C#N)c1ccncc1
CC(Oc1cnc(cc1-c1ccc(F)cc1)C(N)=O)c1cccnc1
CC(Oc1cnc(cc1-c1ccc(F)cc1)C(N)=O)c1ccncc1
CC1(C)CC(=O)N(Cc2ccc3c(cc(nc3c2)C#N)-c2ccc(F)cc2)C(=O)C1
CC1(C)CC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C(=O)C1
CC1(C)CC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
CC1(C)CC(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)CCO1
CC1(C)CC(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CCO1
CC1(C)CC(CN2CCc3c(cc(nc3C2(C)C)C(N)=O)-c2ccc(F)cc2F)CCO1
CC1(C)CC(F)(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CO1
CC1(C)CC(N)(C(O)=O)c2ccc(cc2O1)C(O)=O
CC1(C)CC(O)(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CCO1
CC1(C)CC(O)(CN2CCc3c(cc(nc3C2(C)C)C(N)=O)-c2ccc(F)cc2F)CO1
CC1(C)CCC(CC1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
CC1(C)CCC(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)CO1
CC1(C)CCC(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CO1
CC1(C)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O
CC1(C)CCc2cc(OC[C@@H]3Cn4ccc(=O)nc4O3)ccc12 |r|
CC1(C)CN(CCCOc2cnc(cc2-c2ccc(F)cc2)C#N)CCO1
CC1(C)CN(CCCOc2cnc(cc2-c2ccc(F)cc2)C(N)=O)CCO1
CC1(C)CN(Cc2cnc(cc2-c2ccc(F)cc2)C(N)=O)CCO1
CC1(C)COc2nc(cc(c2C1)-c1ccc(F)cc1F)C(N)=O
CC1(C)Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O
CC1(C)NC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
CC1(C)OC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
CC1(CC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O)c1ccccc1
CC1(CCCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)C1)c1ccccc1
CC1(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)COC1
CC1(Cc2cc(CCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCC(=O)Nc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCCCCOc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCCCOc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCCOc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)c1ccccc1
CC1(Cc2cc(OCc3ccc(cc3)C(=O)NS(C)(=O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCc3ccc(cc3)C(O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1(Cc2cc(OCc3cccc(c3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CC1C(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C(=O)C1(C)C
CC1C(C1C(C)(C)O)c1ccc2N(CC3CC3(F)F)S(=O)(=O)N(C)c2n1
CC1CCC(=CC1)c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O |c:4|
CC1CCC(CC1)c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O |(2.52,-5.39,;2.52,-3.85,;1.18,-3.08,;1.18,-1.54,;2.52,-.77,;3.85,-1.54,;3.85,-3.08,;2.52,.77,;3.85,1.54,;3.85,3.08,;2.52,3.85,;1.18,3.08,;-.15,3.85,;-1.48,3.08,;-2.82,3.85,;-4.15,3.08,;-4.15,1.54,;-2.82,.77,;-5.61,1.06,;-6.52,2.31,;-5.61,3.56,;-6.38,4.89,;-1.48,1.54,;-.15,.77,;1.18,1.54,;5.19,3.85,;6.52,3.08,;5.19,5.39,)|
CC1CCCN(C1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
CC1CN(CCCOc2cnc(cc2-c2ccc(F)cc2)C#N)CCO1
CC1CN(CCCOc2cnc(cc2-c2ccc(F)cc2)C(N)=O)CCO1
CC1CN(Cc2ccc(OC3CCCCC3)cc2)C(=O)O1
CC1CN(Cc2ccc(OC3CCOCC3)cc2)C(=O)O1
CC1CN(Cc2ccc(OCC3CCCCC3)cc2)C(=O)O1
CC1CN(Cc2ccc(OCCC3CCCCC3)cc2)C(=O)O1
CC1CN(Cc2ccc(OCc3ccccc3)cc2)C(=O)O1
CC1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC(C)O1
CC1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC(N1)C(F)(F)F
CC1N(CC2CCOC(C)(C)C2)CCc2c1nc(cc2-c1ccc(F)cc1F)C(N)=O
CC1c2ccccc2Oc2cccc(c12)[C@](N)([C@H]1C[C@@H]1C(O)=O)C(O)=O
CCC(=O)c1ccc(OCCCCOc2cc(ccc2OC)C(O)=O)c(C)c1O
CCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
CCC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
CCC(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
CCC(=O)c1ccc(OCCCCOc2ccc(cc2OC)C(O)=O)c(C)c1O
CCC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
CCC(C)COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
CCC(C)O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O
CCC(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
CCC(CC)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
CCC(N)(CCC(O)=O)C(O)=O
CCC(N)([C@H]1C[C@@H]1C(O)=O)C(O)=O
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(OC)c(C)c2)cn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(OC)c(F)c2)cn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(OC)c(OC)c2)cn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(OC)cc2)cn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(OC)cc2F)cn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2ccc(OC)c(F)c2)cn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2ccc(OC)cc2F)cn1)C(F)(F)F
CCC(O)(c1nnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)n1)C(F)(F)F
CCC(O)(c1nnnn1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F
CCC1(C)CC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCCN(C)C |c:6,10,t:2|
CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCN(C)C |c:6,10,t:2|
CCC1CN(C(=O)c2c(cnn12)-c1ccnc(C)c1)c1ccc(cc1)C(F)(F)F
CCC1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)CCO1
CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(O)=O)c(C)c1O
CCCC(=O)c1ccc(OCCCCOc2cc(ccc2OC)C(O)=O)c(C)c1O
CCCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
CCCC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
CCCC(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
CCCC(=O)c1ccc(OCCCCOc2ccc(cc2OC)C(O)=O)c(C)c1O
CCCC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
CCCC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
CCCC(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
CCCC1Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O
CCCC1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(C)c(C)c2C1=O
CCCC1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O
CCCCC1(Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
CCCCC1CN(C(=O)O1)c1ccccc1
CCCCCC1CN(C(=O)O1)c1ccccc1
CCCCCCC1CN(C(=O)O1)c1ccc(C)cc1
CCCCCCC1CN(C(=O)O1)c1ccc(Cl)cc1
CCCCCCC1CN(C(=O)O1)c1ccc(F)cc1
CCCCCCC1CN(C(=O)O1)c1ccc(N)cc1
CCCCCCC1CN(C(=O)O1)c1ccc(O)cc1
CCCCCCC1CN(C(=O)O1)c1ccc(OC)cc1
CCCCCCC1CN(C(=O)O1)c1ccc(cc1)C#N
CCCCCCC1CN(C(=O)O1)c1ccc(cc1)C(=O)OC
CCCCCCC1CN(C(=O)O1)c1ccc(cc1)S(C)(=O)=O
CCCCCCC1CN(C(=O)O1)c1cccc(C)c1
CCCCCCC1CN(C(=O)O1)c1cccc(Cl)c1
CCCCCCC1CN(C(=O)O1)c1cccc(F)c1
CCCCCCC1CN(C(=O)O1)c1cccc(N)c1
CCCCCCC1CN(C(=O)O1)c1cccc(O)c1
CCCCCCC1CN(C(=O)O1)c1cccc(OC)c1
CCCCCCC1CN(C(=O)O1)c1cccc(c1)C#N
CCCCCCC1CN(C(=O)O1)c1cccc(c1)C(=O)OC
CCCCCCC1CN(C(=O)O1)c1cccc(c1)S(C)(=O)=O
CCCCCCC1CN(C(=O)O1)c1ccccc1C
CCCCCCC1CN(C(=O)O1)c1ccccc1C#N
CCCCCCC1CN(C(=O)O1)c1ccccc1C(=O)OC
CCCCCCC1CN(C(=O)O1)c1ccccc1Cl
CCCCCCC1CN(C(=O)O1)c1ccccc1F
CCCCCCC1CN(C(=O)O1)c1ccccc1N
CCCCCCC1CN(C(=O)O1)c1ccccc1O
CCCCCCC1CN(C(=O)O1)c1ccccc1OC
CCCCCCC1CN(C(=O)O1)c1ccccc1S(C)(=O)=O
CCCCCCCCC1CN(C(=O)O1)c1ccccc1
CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCCC[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCCc1c(cnn1O)C(N)C(O)=O |w:11.12|
CCCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
CCCCCn1ccc2c(CCC)c(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
CCCCN1CC=C(C=C1)N1CCC(F)(C(Cl)C1=O)c1ccccc1 |c:6,8|
CCCCO\C(=C/n1ncnn1)c1ccc(Cl)cc1
CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O
CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
CCCCc1c(cnn1O)C(N)C(O)=O |w:10.11|
CCCCc1nnc2c(c(ccn12)N1CCC(CC1)c1ccccc1)C(F)(F)F
CCCCn1ccc(-c2ccc(Oc3cc(C)nc(C)c3)c(F)c2)c(C#N)c1=O
CCCCn1ccc(-c2ccc(Oc3ccc(C)nc3C)c(Cl)c2)c(C#N)c1=O
CCCCn1ccc(-c2ccc(Oc3ccc(C)nc3C)cc2)c(C#N)c1=O
CCCCn1ccc(-c2ccc(Oc3cccnc3C)c(Cl)c2)c(C#N)c1=O
CCCCn1ccc(-c2ccc(Oc3cccnc3C)cc2)c(C#N)c1=O
CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)c(Cl)c2)c(C#N)c1=O
CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)c(F)c2)c(C#N)c1=O
CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2)c(C#N)c1=O
CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2Cl)c(C#N)c1=O
CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2F)c(C#N)c1=O
CCCCn1ccc(N2CCC(CC2)c2ccc(F)cc2F)c(Cl)c1=O
CCCCn1ccc(N2CCC(CC2)c2ccc(cc2)C(C)(C)O)c(Cl)c1=O
CCCCn1ccc(N2CCC(CC2)c2ccc(cc2F)C(C)(C)O)c(Cl)c1=O
CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
CCCCn1ccc(N2CCC(CC2)c2ccccc2C(C)(C)O)c(Cl)c1=O
CCCCn1ccc(N2CCC(CO)(CC2)c2ccccc2)c(Cl)c1=O
CCCCn1ccc(N2CCN(CC2)c2nc(C)cc(C)n2)c(C#N)c1=O
CCCCn1ccn2c(CN3CCC(CC3)c3ccccc3)c(C)nc2c1=O.CCCCn1ccn2c(CN3CCC(CC3)c3ccccc3)c(C)nc2c1=O
CCCCn1ccn2c(c(C)nc2c1=O)-c1ccc(OCC2CC2)c(Cl)c1
CCCCn1ccn2c(c(C)nc2c1=O)-c1ccc2[nH]ccc2c1
CCCCn1ccn2c(nnc2c1=O)-c1ccc(OCC2CC2)c(Cl)c1
CCCCn1cnc2c(cnn2c1=O)-c1ccc(OCC2CC2)c(Cl)c1
CCCCn1cnn2c(cnc2c1=O)-c1ccc(OCC2CC2)c(Cl)c1
CCCCn1ncn2c(cnc2c1=O)-c1ccc(OCC2CC2)c(Cl)c1
CCCCn1nnc2c(Br)cccc12
CCCN1Cc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2C1=O
CCCOC(=O)CCc1cccc(c1)C1CC(=O)Nc2cc(c(C)cc2N1)C(F)(F)F |w:14.14|
CCCO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O
CCCO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(NC(=O)OCC=C)C(O)=O
CCCOc1cc(ccc1F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
CCC[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
CCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCC[C@H](C[C@H](N)C(O)=O)C(O)=O
CCC[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
CCCc1c(O)c(ccc1OCCCCOc1ccc(OC=O)cc1C)C(C)=O
CCCc1c(O)c(ccc1OCCCCOc1ccc(OC=O)cc1OC)C(C)=O
CCCc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(=O)NS(C)(=O)=O)C(C)=O
CCCc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(O)=O)C(C)=O
CCCc1c(OC(C)CCC(C)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
CCCc1c(OC(C)CCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
CCCc1c(OCCCC(=O)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
CCCc1c(OCCCC(C)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
CCCc1c(OCCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
CCCc1c(OCCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
CCCc1c(OCCCCN(C)c2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
CCCc1c(OCCCCNc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(=O)CC(C)C)c1O
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2c(CC(C)(C)C)noc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)c(C)cc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)cnc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ncc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)nnc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)C)ccc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC3CC3)ccc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC3CCCCC3)ccc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CCC)ccc12
CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(ccc12)C(C)C
CCCc1c(OCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
CCCc1c(OCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
CCCc1c(OCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
CCCc1c(OC\C=C\COc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
CCCc1c(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O
CCCc1c(OCc2ccc(Oc3ccc(cc3)-c3nnn[nH]3)cc2)ccc2n(CC(C)(C)C)ccc12
CCCc1c(OCc2ccc(Oc3ccc(cn3)-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O
CCCc1c(OCc2ccc(Oc3ccc(cn3)C(O)=O)cc2)ccc(C(C)=O)c1O
CCCc1c(OCc2ccc(Oc3cccc(c3)-c3nn[nH]n3)nc2)ccc(C(C)=O)c1O
CCCc1c(OCc2ccc(Oc3ncccc3-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O
CCCc1c(OCc2cccc(Oc3cc(ccn3)-c3nn[nH]n3)c2)ccc(C(C)=O)c1O
CCCc1c(OCc2cccc(Oc3cc(ccn3)C(O)=O)c2)ccc(C(C)=O)c1O
CCCc1c(OCc2cccc(Oc3ccc(cc3)-c3nnn[nH]3)c2)ccc2n(CC(C)(C)C)ccc12
CCCc1c(OCc2cccc(Oc3ccc(cn3)-c3nn[nH]n3)c2)ccc(C(C)=O)c1O
CCCc1c(OCc2cccc(Oc3ncccc3-c3nn[nH]n3)c2)ccc(C(C)=O)c1O
CCCc1c(OCc2cccc(c2)-c2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
CCCc1c(Oc2cccc(c2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
CCCc1c(cnn1O)C(N)C(O)=O |w:9.10|
CCCc1c2CCN(CC(C)(C)C)c2ccc1OCCCCOc1ccc(cc1)-c1nnn[nH]1
CCCc1cnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
CCCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1ccccc1
CCCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1nc(C)cc(C)n1
CCCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1ncccn1
CCCc1cnc2ccc(cn12)-c1cnn2[C@@H](C)CN(C(=O)c12)c1ccc(cc1)C(F)(F)F |r|
CCCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
CCCn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2ccccc12
CCCn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CCCn1ccc2cc(NCc3cccnc3)cc(Cl)c2c1=O
CCCn1ccc2cc(OCCCc3cccnc3)cc(Cl)c2c1=O
CCCn1ccc2cc(OCCc3cccnc3)cc(Cl)c2c1=O
CCCn1ccc2cc(OCc3cccnc3)cc(Cl)c2c1=O
CCCn1ccc2cc(cc(C#N)c2c1=O)-c1cccnc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OC)cc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OC)nc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCCc2ccccc2)nc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2ccc(Cl)nc2)cc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2ccc(nc2)C(F)(F)F)cc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2cccnc2)cc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2cccnc2)nc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(Oc2ccccc2)cc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(Oc2ccccc2)nc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(Oc2ccncc2)cc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(nc1)N(C)C
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(nc1)N1CCOCC1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1cccnc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccncc1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1cn[nH]c1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1cnc(OC)c(F)c1
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1cncnc1
CCCn1ccc2cc(cc(Cl)c2c1=O)N1CCC(O)CC1
CCCn1ccc2cc(cc(Cl)c2c1=O)N1CCNCC1
CCCn1ccc2cc(cc(Cl)c2c1=O)N1CCOCC1
CCCn1ccc2cc(ccc2c1=O)-c1cccnc1
CCCn1ccc2cc(ccc2c1=O)N1CCOCC1
CCCn1nnc2c(Br)cccc12
CCN(CC)C(=O)c1ccc(OC)c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
CCN(CC1CC1c1ccc(F)cc1)c1cnn2c(CC3CC3)nnc2c1Cl
CCN1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC1C(F)(F)F
CCN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
CCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
CCNC(C(O)=O)c1cc(=O)[nH]o1
CCOC(=O)C(C)(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
CCOC(=O)C(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
CCOC(=O)C12CC1C(N=O)c1ccccc1O2
CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1OC)c1c(Cl)cccc1Cl |c:5,11,t:8|
CCOC(=O)CCc1cccc(c1)C1CC(=O)Nc2cc(c(C)cc2N1)C(F)(F)F |w:11.13|
CCOC(=O)CCc1cccc(c1)C1CC(=O)Nc2cc(c(C)cc2N1)C(F)(F)F |w:13.13|
CCOC(=O)COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
CCOC(=O)\C=C\c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:14|
CCOC(=O)c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)nc1C(F)(F)F
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1F
CCOC(=O)c1cnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)c1
CCOCc1nnc2c(Cl)c(ccn12)-c1ccc(Oc2ccc(C)nc2C)c(F)c1
CCOCc1nnc2c(c(ccn12)-c1ccc(Oc2ccc(C)nc2C)c(F)c1)C(F)(F)F
CCOc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CCOc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
CCOc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CCOc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
CCOc1cc(ccc1CC)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
CCOc1cc(ccc1CC)-c1nc(c2CCOCCn12)-c1ccnc(C)c1
CCOc1cc(ccc1CC)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CCOc1cc(ccc1CC)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
CCOc1cc(ccc1Cl)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(C)c1 |c:6|
CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncc1 |c:6|
CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:6|
CCOc1ccc(cc1)-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
CCOc1ccc(cc1)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:14|
CCOc1ccc(cc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CCOc1ccc(cc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
CCOc1ccc(cc1Cl)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
CCOc1ccc(cc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CCOc1ccc(cc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
CCOc1ccccc1-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
CCOc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:12,16,19|
CCS(=O)(=O)N(Cc1cccnc1)c1ccc(COc2ccccc2)cc1
CCS(=O)(=O)N(Cc1cccnc1)c1ccc(Cc2ccccc2)cc1
CCS(=O)(=O)N(Cc1cccnc1)c1ccc(Oc2ccccc2)cc1
CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(=C)c1ccccc1
CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(=O)c1ccccc1
CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(C)c1ccccc1
CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(F)c1ccccc1
CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(O)c1ccccc1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(COc2ccccc2)c1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Cc2ccccc2)c1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(OC(F)(F)F)c1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(OCc2ccccc2)c1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Oc2ccccc2)c1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(=C)c1ccccc1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(=O)c1ccccc1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(C)c1ccccc1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(F)c1ccccc1
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(O)c1ccccc1
CC[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CC[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(OC)c1)-c1cc(C)nc(C)c1 |r|
CC[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(OC)c1)-c1ccnc(C)c1 |r|
CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CC[C@@](O)(c1cn(Cc2ccc3c(Cl)cc(nc3c2)C(N)=O)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)-c2cccnc2)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C#N)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(=O)N(C)C)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(=O)NC)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(C)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(Cl)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(Cl)cc2F)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cn2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)nc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(cc2)C(C)C)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cccc(F)c2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccccc2F)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)S(C)(=O)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(ccnc3c2)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(nn1)C(C)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F |r|
CC[C@@](O)(c1cnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)c1)C(F)(F)F |r|
CC[C@@](O)(c1nnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)n1)C(F)(F)F |r|
CC[C@H](C[C@H](N)C(O)=O)C(O)=O
CC[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
CC[C@](O)(c1cn(Cc2ccc3c(Cl)cc(nc3c2)C#N)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(Cl)cc2)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cn2)nn1)C(F)(F)F
CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccccc2C)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccccc2F)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cccnc2F)nn1)C(F)(F)F |r|
CCc1c(cnn1O)C(N)C(O)=O |w:8.9|
CCc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)ccn1
CCc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
CCc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
CCc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnc1 |c:5|
CCc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CCc1ccc(cc1OC)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CCc1ccc(cc1OC)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
CCc1ccc(cc1OCC1CC1)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
CCc1ccc(cc1OCC1CC1)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
CCc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
CCc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
CCc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
CCc1cn2C[C@@H](COc3ccc(cc3)-c3cccc(C)c3C)Oc2nc1=O |r|
CCc1cnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
CCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1nc(C)cc(C)n1
CCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1ncccn1
CCc1cnc2ccc(cn12)-c1cnn2[C@@H](C)CN(C(=O)c12)c1ccc(cc1)C(F)(F)F |r|
CCc1ncc(s1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
CCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
CCc1nnc2c(Cl)c(ccn12)N1CCC(CC1)c1ccccc1
CCc1nnc2c(c(ccn12)N1CCC(CC1)c1ccccc1)C(F)(F)F
CCn1c(CN2CCN(CC2)c2nc(ccc2Cl)C(F)(F)F)nc2ccccc12
CCn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
CCn1cc(cn1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
CCn1nnc2c(Br)cccc12
CN(C)C(=O)c1cc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1F
CN(C)C(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
CN(C)C1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1
CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1C)c1c(Cl)cccc1Cl |c:8,14,t:11|
CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1Cl)c1c(Cl)cccc1Cl |c:8,14,t:11|
CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1F)c1c(Cl)cccc1Cl |c:8,14,t:11|
CN(C)Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:18|
CN(C)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)-n1ccnn1 |c:6|
CN(C)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:6|
CN(C)c1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnc1 |c:6|
CN(C)c1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:6|
CN(C)c1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
CN(CC(N)=O)Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
CN(CCN1CCOCC1)c1cnc(cc1-c1ccc(F)cc1)C#N
CN(CCN1CCOCC1)c1cnc(cc1-c1ccc(F)cc1)C(N)=O
CN(CCO)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnc1 |c:8|
CN(CCOCc1cncc(F)c1)c1cnc(cc1-c1ccc(F)cc1)C#N
CN(CCOCc1cncc(F)c1)c1cnc(cc1-c1ccc(F)cc1)C(N)=O
CN(CCOc1ccn(-c2ccc(F)cc2)c(=O)c1)c1ccccc1
CN(CCOc1cnc(cc1-c1ccc(F)cc1)C(N)=O)c1ccnc(c1)C(F)(F)F
CN(C[C@@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O)CC(F)(F)F |r|
CN(C[C@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O)CC(F)(F)F |r|
CN(Cc1cc2nc(cc(-c3ccc(F)cc3)c2s1)C(N)=O)C1COC1
CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
CN1C(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C(=O)C1(C)C
CN1CC(=O)N(Cc2ccc3c(cc(nc3c2)C#N)-c2ccc(F)cc2)C1=O
CN1CC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
CN1CCN(CC1)C(=O)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:17|
CN1CCN(CC1)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:11|
CN1CCN(CC1C(F)(F)F)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
CN1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
CN1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC1
CN1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC1C(F)(F)F
CN1CCc2nc(COc3ccccc3)sc2C1=O
CN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
CN1c2nc(ccc2N(CC2CC2(F)F)S1(=O)=O)C1=CC2CN(CC2C1)C(=O)C(C)(C)O |t:21|
CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
CNC(=O)c1cc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1F
CNC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
CNC(=O)c1ccc(OC)c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
CNC(=O)c1cccc(c1)C1CCN(Cc2nc3ccccc3n2C)CC1
CNC(C(O)=O)c1cc(=O)[nH]o1
CNC(C)Cc1ccc2OCOc2c1
CNc1ccc(cc1)-c1ccn(CCC(C)C)c(=O)c1C#N
CNc1ncc(cn1)C#Cc1ccccc1
COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
COC(=O)CCc1cc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)ccc1O
COC(=O)CCc1cc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(O)c2C)ccc1O
COC(=O)[C@@H]1CCCN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)c1cc(-c2ccc(OC)cc2F)c2ccc(cc2n1)[C@@H](C)Cc1cnc(C)nc1 |r|
COC(=O)c1cc(-c2ccc(OC)cc2F)c2ccc(cc2n1)[C@H](C)Cc1cnc(C)nc1 |r|
COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@@H](C3)C(F)(F)F)c(F)c2n1 |r|
COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@H](C3)C(F)(F)F)c(F)c2n1 |r|
COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC(C)C)c(C)c2C)cc1
COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)cc1
COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(C)c2C)cc1
COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(O)c2C)cc1
COC(=O)c1ccc(OCc2cccc(COc3ccc(C(=O)CC(C)C)c(C)c3C)c2)cc1
COC(=O)c1ccc(OCc2cccc(COc3ccc(C(=O)CC(C)C)c(O)c3C)c2)cc1
COC(=O)c1ccc(OCc2cccc(COc3ccc(C(=O)CC4CCCC4)c(C)c3C)c2)cc1
COC(=O)c1ccc(c(Cl)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3)nnc2c1Cl
COC(=O)c1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
COC(=O)c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
COC(=O)c1cncn1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
COC(=O)c1cnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)c1
COC1(CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1)c1ccccc1
COC1CCN(CC1)c1cc(nc2C(C)N(Cc3ccnn3C(C)C)CCc12)C(N)=O
COC1CCN(CC1)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:12|
COCC1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)CCO1
COCCN(C)Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
COCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)-n1ccnc1 |c:8|
COCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:8|
COCCOc1ccc(cc1)C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
COCCOc1cccc(c1)C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COCCOc1ccccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COCCn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2ccccc12
COCCn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
COC[C@@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
COC[C@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
COCc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:18|
COCc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
COCc1ccc(OCCOc2ccn(-c3ccc(F)cc3)c(=O)c2)cc1
COCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
CON(C)Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
CONC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
CONC(=O)c1ccc(OC)c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
CO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O
CO[C@H]1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1 |r|
CO[C@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O
COc1c(F)c(F)ccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1c(F)cc(cc1F)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1C(F)(F)F
COc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC(F)(F)F)nnc2c1C#N
COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(ncn2c(CC(C)(C)C)nnc12)N1CCC(CC1)c1ccc(F)cc1
COc1c(ncn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
COc1cc(Br)c2nnn(CC3CC3)c2c1
COc1cc(C)c(c(C)c1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O |(5.33,-6.16,;4,-5.39,;4,-3.85,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,;4,-.77,;2.67,-1.54,;1.33,-.77,;2.67,-3.08,;4,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;2.67,3.08,;1.33,3.85,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-4,5.39,;-5.33,6.16,;-6.67,5.39,;-8,6.16,;-6.67,3.85,;-5.33,3.08,;,1.54,;1.33,.77,;2.67,1.54,;6.67,3.85,;8,3.08,;6.67,5.39,)|
COc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)ccn1
COc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2Cl)C(N)=O)ccn1
COc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)ccn1
COc1cc(CN2CCc3c(C2)nc(cc3N2CCC(F)(F)CC2)C(N)=O)ccn1
COc1cc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)ccn1
COc1cc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)ccn1
COc1cc(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2cnn(C)c2)cc(C)n1
COc1cc(F)c(c(F)c1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O |(5.33,-6.16,;4,-5.39,;4,-3.85,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,;4,-.77,;2.67,-1.54,;1.33,-.77,;2.67,-3.08,;4,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;2.67,3.08,;1.33,3.85,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-4,5.39,;-5.33,6.16,;-6.67,5.39,;-8,6.16,;-6.67,3.85,;-5.33,3.08,;,1.54,;1.33,.77,;2.67,1.54,;6.67,3.85,;8,3.08,;6.67,5.39,)|
COc1cc(F)cc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1cc(F)ccc1-c1cc(nc2CN(Cc3ccnc(c3)C3CC3)CCc12)C(N)=O
COc1cc(NC(=O)c2ccccn2)ccc1Cl
COc1cc(OC)nc(n1)C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
COc1cc(OC)nc(n1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
COc1cc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc(c1)C(O)=O
COc1cc(OC[C@H](C)COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1C(O)=O |r|
COc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(OC)c2)n2C[C@@H](C)OCCc12 |r|
COc1cc(cc(OC)c1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
COc1cc(ccc1Br)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
COc1cc(ccc1C(C)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1C(C)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCOCCn12)-c1ccnc(C)c1
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CF)c1 |r|
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CO)c1 |r|
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(c1)C(F)F |r|
COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1C(F)F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
COc1cc(ccc1C(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1C(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
COc1cc(ccc1C(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1C(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1C)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(c1)C(F)F |r|
COc1cc(ccc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1C1CCN(Cc2nc3ncccc3n2C)CC1)C(F)(F)F
COc1cc(ccc1Cl)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
COc1cc(ccc1Cl)-c1nc(c2CCOCCn12)-c1ccnc(CF)c1
COc1cc(ccc1Cl)-c1nc(c2CCO[C@@H](Cn12)C(F)F)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(CF)c1 |r|
COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(CO)c1 |r|
COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CF)c1 |r|
COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(c1)C(F)F |r|
COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1F)-c1cccc(c1)-c1csc(n1)-c1ccccc1
COc1cc(ccc1F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1F)[C@@H](C)O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O |r|
COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1OC(F)F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CF)c1 |r|
COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CO)c1 |r|
COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(c1)C(F)F |r|
COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C)C(O)=O
COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NO
COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C)C(O)=O
COc1cc(ccc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
COc1cc(ccc1OCCCCOc1ccc(C(C)=O)c(O)c1C)C(O)=O
COc1cc(ccc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O |r|
COc1cc(ccc1[C@@H]1CCN(Cc2nc3ncccc3n2C)C[C@@H]1C)C(F)(F)F |r|
COc1cc(ccc1[C@H]1CCN(Cc2nc3ncccc3n2C)C[C@H]1C)C(F)(F)F |r|
COc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
COc1cc(ccn1)C(N1CCc2c(C1)nc(cc2-c1cnn(C)c1)C(N)=O)C(F)(F)F
COc1cc(ccn1)C(N1CCc2c(C1)nc(cc2C1=CCC(C)CC1)C(N)=O)C(F)(F)F |t:22|
COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:5|
COc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:5|
COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F |(9.45,-43.77,;10.47,-42.62,;9.99,-41.15,;8.48,-40.84,;7.99,-39.38,;9.02,-38.23,;8.54,-36.77,;9.43,-35.53,;10.97,-35.52,;8.53,-34.29,;7.07,-34.77,;5.74,-34,;4.41,-34.77,;4.41,-36.31,;3.08,-37.09,;5.74,-37.08,;7.08,-36.3,;5.74,-32.46,;7.08,-31.68,;4.41,-31.68,;5.73,-30.92,;10.52,-38.54,;11.55,-37.39,;11.01,-40,;12.52,-40.31,)|
COc1ccc(C)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1B1OC(C)(C)C(C)(C)O1
COc1ccc(C2CCN(CC2)c2cnn3c(CC(F)(F)F)nnc3c2Cl)c(OC)c1
COc1ccc(C2CCN(CC2)c2cnn3c(CC4CC4)nnc3c2Cl)c(OC)c1
COc1ccc(CCCCN2CCn3c(C2)nc2ccccc32)c(F)c1
COc1ccc(CCCCN2CCn3c(C2)nc2ccccc32)cc1
COc1ccc(CCN2CCn3c(C2)nc2ccccc32)cc1
COc1ccc(CN2C[C@](N)(C[C@@H]2C(O)=O)C(O)=O)cc1
COc1ccc(CNc2ccc(cc2)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
COc1ccc(CNc2ccc(cc2)-c2ccn3c(CC4CC4)nnc3c2Cl)cn1
COc1ccc(CNc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
COc1ccc(COc2ccc(cc2)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
COc1ccc(COc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
COc1ccc(COc2cnc(cc2-c2ccc(F)cc2)C#N)cn1
COc1ccc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)cn1
COc1ccc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cc1
COc1ccc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)cn1
COc1ccc(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2cnn(C)c2)cn1
COc1ccc(F)c(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC(F)(F)F)nnc2c1Cl
COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
COc1ccc(OC)c(c1)C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
COc1ccc(OC)c(c1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
COc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
COc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1
COc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(O)=O
COc1ccc(OCc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)cn1
COc1ccc(\C(OC(C)C)=C\n2cncn2)c(OC)c1
COc1ccc(c(F)c1)-c1cc(nc2CN(Cc3ccnc(OC)c3)CCc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2OC(C)(C)CCc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3ccc(nc3)C#N)ccc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3cccnc3N)ccc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3cnc(nc3)C#N)ccc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(CN3CCOCC3)sc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(COc3ccc(nc3)C(F)(F)F)nn12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(COc3ccnc(C)c3)nn12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(COc3ccnc(c3)C(F)(F)F)nn12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(COc3cnc(C)nc3)sc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(ccc12)C(C)Cc1ccc(CF)nc1)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(ccc12)C(C)Cc1cccnc1)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(ccc12)C(C)Cc1cccnc1N)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(ccc12)[C@@H](C)Cc1cnc(C)nc1)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2cc(ccc12)[C@H](C)Cc1cnc(C)nc1)C(N)=O
COc1ccc(c(F)c1)-c1cc(nc2ccccc12)C(N)=O
COc1ccc(c(F)c1)-c1cc(ncc1OCc1cc(F)cc(F)c1)C(N)=O
COc1ccc(c(F)c1)-c1cc(ncc1OCc1ccc(C)nc1)C(N)=O
COc1ccc(c(F)c1)-c1cc(ncc1OCc1ccc(nc1)C(F)(F)F)C(N)=O
COc1ccc(c(F)c1)-c1cc(ncc1OCc1cccnc1)C(N)=O
COc1ccc(c(F)c1)-c1cc(ncc1OCc1ccnc(C)c1)C(N)=O
COc1ccc(cc1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
COc1ccc(cc1)-c1cc(nc2cc(C)ccc12)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(CCc3cccnc3N)ccc12)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(CCc3cnc(nc3)C#N)ccc12)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(CCc3cncnc3N)ccc12)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(CN3CCOCC3)sc12)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(COc3ccc(F)nc3)sc12)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(COc3cnc(C)nc3)sc12)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1ccc(C)nc1)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1ccc(CF)nc1)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1cccnc1)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1cccnc1N)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1cnc(nc1)C#N)C(N)=O
COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(O)Cc1ccc(Cl)nc1)C(N)=O
COc1ccc(cc1)-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
COc1ccc(cc1)-c1ccc2c(c1)n1nc(cc1n(C)c2=O)-c1ccc(F)cc1
COc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
COc1ccc(cc1)-c1ccn(CCC(C)C)c(=O)c1C#N
COc1ccc(cc1)-c1nc(cs1)-c1cccc(c1)-c1ccccc1
COc1ccc(cc1)-n1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r|
COc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:15|
COc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
COc1ccc(cc1)C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1ccc(cc1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
COc1ccc(cc1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
COc1ccc(cc1-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1)C(O)=O
COc1ccc(cc1-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)n1)C(O)=O
COc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
COc1ccc(cc1-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F)C(O)=O
COc1ccc(cc1C(O)=O)-c1cccc(COc2cc3CC(C4CCCC4)C(=O)c3c(C)c2C)c1
COc1ccc(cc1C(O)=O)-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
COc1ccc(cc1C(O)=O)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
COc1ccc(cc1C(O)=O)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
COc1ccc(cc1C)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
COc1ccc(cc1C)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
COc1ccc(cc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1ccc(cc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
COc1ccc(cc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
COc1ccc(cc1Cl)-c1ccn(CCC(C)C)c(=O)c1C#N
COc1ccc(cc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1ccc(cc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
COc1ccc(cc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
COc1ccc(cc1F)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
COc1ccc(cc1F)-c1ccn(CCC(C)C)c(=O)c1C#N
COc1ccc(cc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1
COc1ccc(cc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
COc1ccc(cc1F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1ccc(cc1F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
COc1ccc(cc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
COc1ccc(cc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
COc1ccc(cc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
COc1ccc(cc1OC(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
COc1ccc(cc1OC)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
COc1ccc(cc1OC)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:15|
COc1ccc(cc1OC)-c1ccn(CCC(C)C)c(=O)c1C#N
COc1ccc(cc1OC)-c1nc(cs1)-c1cccc(c1)-c1ccccc1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(cc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C)C(O)=O
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)-c1noc(=O)[nH]1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)-c1noc(=S)[nH]1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)-c1nsc(=O)[nH]1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)-n1cnnn1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)B(O)O
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C#N
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)N1CCN(CC1)S(C)(=O)=O
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)N1CCNCC1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)N1CCOCC1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NC(C)(C)C
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NC1CC1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NC1CCCC1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NCC(C)C
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NO
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NS(=O)(=O)c1ccccc1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NS(C)(=O)=O
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)c1ccccc1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)c1ccccn1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(\N)=N/O
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C)C(O)=O
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
COc1ccc(cc1OCCCCOc1ccc(C(C)=O)c(O)c1C)C(O)=O
COc1ccc(cc1OC[C@@H](C)Oc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O |r|
COc1ccc(cc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)N(C)C |r|
COc1ccc(cc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O |r|
COc1ccc(cc1O[C@@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O |r|
COc1ccc(cn1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
COc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
COc1ccc2n(C)c(CN3CCN(CC3)c3nc(Cl)ccc3C(F)(F)F)nc2c1
COc1ccc2n(CC(C)(C)C)c(=O)n(C)c2c1
COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
COc1cccc(CC[C@@](N)(C2C[C@@H]2C(O)=O)C(O)=O)c1
COc1cccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)c1
COc1cccc(F)c1C1CC1CNc1cnn2c(CC(F)(F)F)nnc2c1Cl
COc1cccc(F)c1C1CC1CNc1cnn2c(CC3CC3)nnc2c1Cl
COc1cccc(F)c1C1CCN(CC1)c1cc2nnc(CC3CC3)n2cn1
COc1cccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
COc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
COc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(C)cc3n2n1
COc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1cccc(c1)S(N)(=O)=O
COc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1ccccc1
COc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1cccnc1
COc1cccc(c1)-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
COc1cccc(c1)-c1ccn(CCC(C)C)c(=O)c1C#N
COc1cccc(c1)C1=Nc2ccc(C)cc2NC(=O)C1 |t:9|
COc1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:9|
COc1cccc(c1)C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1cccc(c1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
COc1cccc2n(CC3CC3)nnc12
COc1ccccc1-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
COc1ccccc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
COc1ccccc1-c1cccc(c1)-c1csc(n1)-c1ccccc1
COc1ccccc1-c1ccn(CCC(C)C)c(=O)c1C#N
COc1ccccc1C1CC1CNc1cnn2c(CC(F)(F)F)nnc2c1C(F)(F)F
COc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
COc1ccccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
COc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1
COc1ccccc1C1N2C=C(SC2=NC(C(=O)c2ccccc2)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,26|
COc1ccccc1C1N2C=C(SC2=NC(C(C)C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,20|
COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)NCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1ccc(Cl)cc1 |c:11,15,18|
COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1ccc(Cl)cc1Cl |c:11,15,18|
COc1ccccc1N1CCN(Cc2c(Br)c(=O)n(-c3ccccc3)n2C)CC1
COc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
COc1ccccc1Oc1ccc(cc1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
COc1ccnc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
COc1cncc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)c1
COc1cnn(c1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
COc1ncc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)cn1
COc1ncc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
COc1ncc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)cn1
COc1ncc(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2ccc(F)cc2)cn1
COc1ncc(s1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
COc1nccc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
COc1nccc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)c1Cl
COc1ncccc1Cc1ccc2c(cc(nc2c1F)C(N)=O)-c1cnn(C)c1
CS(=O)(=O)c1cccc(CC[C@@](N)(C2C[C@@H]2C(O)=O)C(O)=O)c1
CS(=O)(=O)c1cccc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)c1
CS(=O)(=O)c1cccc(CN2CCc3c(C2)nc(cc3-c2ccccc2F)C(N)=O)c1
CSc1ccc(cc1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
C[C@@H](COc1ccc(C(=O)CC(C)(C)C)c(O)c1C)Oc1ccc(F)c(c1)C(O)=O |r|
C[C@@H](COc1ccc(C(O)=O)c(C)c1)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](COc1ccc(C(O)=O)c(Cl)c1)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](COc1ccc(C(O)=O)c(F)c1)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](COc1ccc(Cl)c(c1)C(O)=O)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](COc1ccc(F)c(c1)C(O)=O)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](COc1ccc(F)c(c1)C(O)=O)Oc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](COc1ccc(cc1C)C(O)=O)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](COc1ccc(cc1Cl)C(O)=O)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](COc1ccc(cc1F)C(O)=O)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](COc1ccc2CNC(=O)c2c1)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@@H](C[C@H](N)C(O)=O)C(O)=O
C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
C[C@@H](OC(F)F)[C@@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@@H](OC(F)F)[C@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
C[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc2ccccc2c1
C[C@@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@@H]1CN(CCO1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O |r|
C[C@@H]1CN(Cc2ccc(CN(C)C3CCCCC3)cc2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(CN(C)C)cc2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)c(Cl)c2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)cc2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2cccc(Cl)c2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2cccc(F)c2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2Cl)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2F)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2cccnc2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccncc2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2cncnc2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(cn2)-c2ccc(F)c(F)c2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(F)c(Cl)c2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(F)c(F)c2)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2c(C)nn(C)c2C)C[C@@H](O1)C(F)(F)F |r,wU:27.32,1.0,(-4,-1.23,;-4,.31,;-2.67,1.08,;-2.67,2.62,;-1.33,3.39,;,2.62,;,1.08,;1.33,.31,;2.67,1.08,;4,.31,;5.33,1.08,;5.33,2.62,;4,3.39,;2.67,2.62,;1.33,3.39,;6.67,3.39,;8,2.62,;6.67,4.93,;4,-1.23,;2.76,-2.13,;1.42,-1.36,;3.23,-3.6,;4.77,-3.6,;5.54,-4.93,;5.25,-2.13,;6.58,-1.36,;-4,3.39,;-5.33,2.62,;-5.33,1.08,;-6.67,3.39,;-8,2.62,;-6.67,4.93,;-8,4.16,)|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cc(C)ns2)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CCN1 |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cn(C)nc2C)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cn[nH]c2)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnc(CF)s2)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnc(N)s2)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnc(s2)C(F)F)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)CCO1 |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)C[C@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2C)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(c2)C(F)F)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2nc(C)ns2)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ncc(C)s2)C[C@@H](O1)C(F)(F)F |r|
C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(Cl)cc1F |r|
C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(OC(F)(F)F)cc1F |r|
C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(cc1)C(F)(F)F |r|
C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(cc1F)C(F)(F)F |r|
C[C@@H]1CNC(CN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F |r|
C[C@@H]1COCCN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1 |r|
C[C@@H]1COC[C@@H](C)N1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1 |r|
C[C@@H]1CO[C@H](CN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1)C(F)(F)F |r|
C[C@@H]1C[C@@H](CCN1Cc1nc2ncccc2n1C)c1ccc(cc1)C(F)(F)F |r|
C[C@@H]1C[C@H]2[C@@H]([C@H]2[C@]1(N)C(O)=O)C(O)=O
C[C@@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O
C[C@@H]1Cc2c(O[C@@H]1CO)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@@H]1Cc2c(O[C@@H]1COC(F)F)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@@H]1Cc2c(O[C@H]1CO)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@@H]1Cc2c(O[C@H]1COC(F)F)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C(F)F)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C)c(OCC2CC2)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C)c(OCC2CC2)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C)c(OCC2CCOCC2)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C)c(c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(C)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(C)c1)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(C)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(CF)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(Cl)c1)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(Cl)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(F)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(F)c1)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(F)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(OC(F)(F)F)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(c1)C#N)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(c1)C(F)(F)F)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(c1)C(F)F)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)cc1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(Cl)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OC(F)(F)F)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OC(F)(F)F)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OC(F)F)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OC(F)F)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCC2(C)COC2)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCC2CC2)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCC2CCC2)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCC2CCC2)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCCF)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(c1)C(F)(F)F)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(C)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(C)c1)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(C)c1)-c1cc(C)nc(CO)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(C)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(CF)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(CF)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(CO)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(CO)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(Cl)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(F)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(F)c1)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(F)c1)-c1cc(C)nc(CO)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(c1)C#N)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(c1)C#N)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(c1)C#N)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)cc1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)cc1)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)cc1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)cc1)-c1ccnc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(C)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(C)c1)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(C)c1)-c1cc(C)nc(CO)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(C)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(CF)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(CF)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(CO)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(CO)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(Cl)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(F)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(F)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(C)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(C)c1)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(Cl)c1)-c1cc(C)nc(CF)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(Cl)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2COC2)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OCCF)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(C)c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(Cl)c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(Cl)c1)C(F)(F)F)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(F)c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(F)c1)C(F)(F)F)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(cc1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1cccc(Cl)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1cccc(Cl)c1)-c1ccnc(C)c1 |r|
C[C@@H]1Cn2c(CCO1)c(nc2-c1cccc(OC(F)(F)F)c1)-c1cc(C)nc(C)c1 |r|
C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O
C[C@@](N)(C1C[C@@H]1C(O)=O)C(O)=O
C[C@@]1(COC(F)F)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@@]1([C@@H]2CC[C@](N)([C@H]12)C(O)=O)C(O)=O
C[C@H](COc1ccc(C(=O)CC(C)(C)C)c(O)c1C)Oc1ccc(F)c(c1)C(O)=O |r|
C[C@H](COc1ccc(F)c(c1)C(O)=O)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@H](COc1ccc(F)c(c1)C(O)=O)Oc1ccc(C(=O)CC(C)(C)C)c(O)c1C |r|
C[C@H](N)C(=O)N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
C[C@H](Nc1ccc(cc1)C(O)=O)C(O)=O
C[C@H](Nc1ccc(cc1)P(O)(O)=O)C(O)=O
C[C@H](OC(F)F)[C@@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@H](OC(F)F)[C@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
C[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc2ccccc2c1
C[C@H]1CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nc(N)cn2c1)c1ccc(OC(F)F)cc1 |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2ncc(C)n2c1)c1ccc(F)c(C)c1 |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2ncc(C)n2c1)c1ccc(cc1)C(F)(F)F |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2ncc(F)n2c1)c1ccc(F)c(C)c1 |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2ncc(F)n2c1)c1ccc(cc1)C(F)(F)F |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2ncc(N)n2c1)c1ccc(cc1)C(F)(F)F |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nccn2c1)c1ccc(Cl)c(F)c1 |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nccn2c1)c1ccc(Cl)cc1 |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nccn2c1)c1ccc(F)c(C)c1 |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nccn2c1)c1ccc(F)c(Cl)c1 |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nccn2c1)c1ccc(OC(F)F)cc1 |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nccn2c1)c1ccc(cc1)C(F)(F)F |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nccn2c1)c1ccc(cc1)C(F)F |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nccn2c1)c1ccc(cn1)C(F)(F)F |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccc2nccn2c1)c1ccc2OC(F)(F)Oc2c1 |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccnc(C)c1)c1ccc(cc1)C(F)(F)F |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1ccnc(c1)C#N)c1ccc(c(Cl)c1)C(F)(F)F |r|
C[C@H]1CN(C(=O)c2c(cnn12)-c1cn2ccnc2cn1)c1ccc(cc1)C(F)(F)F |r|
C[C@H]1CN(CCCOc2cnc(cc2-c2ccc(F)cc2)C(N)=O)C[C@@H](C)O1
C[C@H]1CN(CCOc2cnc(cc2-c2ccc(F)cc2)C#N)C[C@@H](C)O1
C[C@H]1CN(CCOc2cnc(cc2-c2ccc(F)cc2)C(N)=O)C[C@@H](C)O1
C[C@H]1CN(Cc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)C[C@@H](C)O1 |r|
C[C@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CCN1 |r|
C[C@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CCO1 |r|
C[C@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)CCO1 |r|
C[C@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)C[C@@H](O1)C(F)(F)F |r|
C[C@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)C[C@H](O1)C(F)(F)F |r|
C[C@H]1CN(Cc2ccc3n(cc(C(N)=O)c(=O)c3c2)-c2ccc(F)cc2)C[C@@H](C)O1 |r|
C[C@H]1CN(Cc2cnc(cc2-c2ccc(F)cc2)C(N)=O)C[C@@H](C)O1
C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(Cl)cc1F |r|
C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(OC(F)(F)F)cc1F |r|
C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1)C(F)(F)F |r|
C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1F)C(F)(F)F |r|
C[C@H]1CN(c2ccc(Cl)s2)C(=O)c2c(cnn12)-c1ccc2nccn2c1 |r|
C[C@H]1CN[C@@H](CN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F
C[C@H]1CN[C@H](CN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F
C[C@H]1COCCN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1 |r|
C[C@H]1COCCN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1 |r|
C[C@H]1CO[C@H](CN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1)C(F)(F)F |r|
C[C@H]1C[C@@](N)([C@@H]2[C@H]1[C@H]2C(O)=O)C(O)=O
C[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O
C[C@H]1Cc2c(O[C@@H]1CO)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@H]1Cc2c(O[C@@H]1COC(F)F)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@H]1Cc2c(O[C@H]1CO)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@H]1Cc2c(O[C@H]1COC(F)F)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
C[C@](N)(Cn1c(=O)[nH]oc1=O)C(O)=O
C[C@](N)([C@H]1C[C@@H]1C(O)=O)C(O)=O
C[C@]1(COC(F)F)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O |r|
Cc1c(C)c(ccc1OCCCCOc1ccc(C(O)=O)c(Cl)c1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCCCCOc1ccc(F)c(c1)C(O)=O)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCCCCOc1ccc(\C=C\C(O)=O)c(O)c1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCCCCOc1ccc(cc1)-n1cnnn1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCCCCOc1ccc(cc1)C#N)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCCCCOc1ccc(cc1)C(O)=O)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCCCCOc1cccc(c1)C(O)=O)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCCCCOc1ccccc1C(O)=O)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCCCCOc1ccccn1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCCCCSc1ccncc1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCc1cccc(COc2ccc(\C=C\C(O)=O)c(O)c2)c1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCc1cccc(COc2ccc(cc2)C#N)c1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCc1cccc(COc2ccc(cc2)C(O)=O)c1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCc1cccc(OCc2ccccn2)c1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCc1cccc(SCc2ccncc2)c1)C(=O)CC1CCCC1
Cc1c(C)c(ccc1OCc1cccc(c1)-c1ccc(Cl)c(c1)C(O)=O)C(=O)CC1CCCC1
Cc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
Cc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
Cc1c(NCC2CC2c2ccc(F)cc2)cnn2c(CC3CC3)nnc12
Cc1c(NC[C@@H]2C[C@@H]2c2ccc(F)cc2)cnn2c(CC3CC3)nnc12 |r|
Cc1c(NC[C@H]2C[C@H]2c2ccc(F)cc2)cnn2c(CC3CC3)nnc12 |r|
Cc1c(O)c(ccc1OCCCCOCOc1ccc(cc1)C(O)=O)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCCCCOc1ccc(C(O)=O)c(Cl)c1)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOc1ccc(C(O)=O)c(F)c1)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCCCCOc1ccc(COBO)c(O)c1)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCCCCOc1ccc(Cl)c(c1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCCCCOc1ccc(F)c(c1)C(N)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCCCCOc1ccc(F)c(c1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCCCCOc1ccc(F)c(c1)C(O)=O)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOc1ccc(\C=C\C(O)=O)c(O)c1)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOc1ccc(cc1)C#N)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(O)=O)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOc1ccc(cc1Cl)C(O)=O)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOc1ccc(cc1F)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCCCCOc1ccc(cc1F)C(O)=O)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOc1cccc(c1)C(O)=O)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCCCCOc1ccccc1C(O)=O)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCc1cc(ccn1)-c1cccc(c1)C(=O)NS(C)(=O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1ccc(cc1)-c1cccc(c1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(COc2ccc(\C=C\C(O)=O)c(O)c2)c1)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCc1cccc(COc2ccc(cc2)C(O)=O)c1)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(F)cc(c1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(cc(c1)[N+]([O-])=O)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(ccc1F)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(C(O)=O)c(Cl)c1)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(Cl)c(c1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(O)c(c1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(cc1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(cc1Cl)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(CC(O)=O)c1)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C#N)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CC1CCCC1
Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CCC(C)(C)C
Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccccc1C(O)=O)C(=O)CC(C)(C)C
Cc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
Cc1c(OCCCCOc2ccccn2)ccc(C(=O)CC2CCCC2)c1O
Cc1c(OCCCCOc2cncc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cc(ccn2)-c2cccc(c2)-c2noc(=O)[nH]2)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cc(ccn2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2ccc(Sc3ccncc3)cc2)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2ccc(o2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2ccc(s2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cccc(OCc3ccccn3)c2)ccc(C(=O)CC2CCCC2)c1O
Cc1c(OCc2cccc(c2)-c2cccc(c2)-n2cnnn2)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cccc(c2)-c2cnc(cn2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cccc(c2)-c2cncc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cccc(c2)-c2cnccc2C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cccc(c2)-c2occc2C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cccc(n2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cccc(n2)-c2cccc(c2)S(O)(=O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2ccnc(c2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cnc(cn2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2cncc(c2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2ncc(s2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(OCc2nnc(s2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Cc1c(cnn1-c1ccccc1)-c1cc(nc2ccccc12)C(N)=O
Cc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Cc1c(ncn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Cc1c2C(=O)C(Cc2cc(OCc2cccc(CSc3ccncc3)c2)c1C)C1CCCC1
Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(Cl)c(c2)C(O)=O)c1C)C1CCCC1
Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(O)c(c2)C(O)=O)c1C)C1CCCC1
Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1
Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c1C)C1CCCC1
Cc1cc(C)cc(c1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Cc1cc(C)nc(n1)N1CCN(CC1)c1ccn2c(CC(F)(F)F)cnc2c1C#N
Cc1cc(CN2CC3CCC2CN3c2ccc3n(CC(C)(C)C)c(=O)n(C)c3n2)no1
Cc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)n(C)n1
Cc1cc(COc2cnc(cc2-c2ccc(F)cc2)C#N)ccn1
Cc1cc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)ccn1
Cc1cc(COc2cnc(cc2-c2cnn(C)c2)C(N)=O)ccn1
Cc1cc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)cc(C)n1
Cc1cc(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2cnn(C)c2)cc(C)n1
Cc1cc(Cl)ccc1-c1cc(nc2ccccc12)C(N)=O
Cc1cc(Cl)ccc1-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:13|
Cc1cc(F)ccc1-c1ccn2c(CC3CC3(F)F)nnc2c1
Cc1cc(F)ccc1-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(OCc3ccccc3)c2)cc1C(F)(F)F
Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(Oc3ccccc3)c2)cc1C(F)(F)F
Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(Oc3ccccn3)c2)cc1C(F)(F)F
Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(c2)-n2ccc3ccccc23)cc1C(F)(F)F
Cc1cc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(O)c2C)ccc1C(O)=O
Cc1cc(OCCOc2cnc(cc2-c2ccc(F)cc2)C(N)=O)ccn1
Cc1cc(OCc2cc3nc(cc(-c4ccc(F)cc4)n3n2)C(N)=O)ccn1
Cc1cc(Oc2ccc(cc2)-c2ccn(CC3CC3)c(=O)c2C#N)ccn1
Cc1cc(Oc2ccc(cc2)-c2ccn(CC3CCC3)c(=O)c2C#N)ccn1
Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc(C)n1
Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccn1
Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)ccn1
Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(c(cc2NC(=O)C1)C(F)(F)F)C(F)(F)F |t:16|
Cc1cc(cc(C)n1)-c1cccc(c1)C1CC(=O)Nc2cc(NC(=O)OCc3ccccc3)ccc2N1 |w:12.15|
Cc1cc(cc(C)n1)-c1cccc(c1)C1CC(=O)Nc2cc(NC(=O)OCc3ccccc3)ccc2N1 |w:14.15|
Cc1cc(cc(C)n1)-c1cccc(c1)C1CC(=O)Nc2cc(NC(=O)Oc3ccccc3)ccc2N1 |w:12.15|
Cc1cc(cc(C)n1)-c1cccc(c1)C1CC(=O)Nc2cc(NC(=O)Oc3ccccc3)ccc2N1 |w:14.15|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(C(F)F)c(Cl)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(C(F)F)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(C)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(Cl)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(OC(F)(F)F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(OC(F)F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(OCC(F)(F)F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(c2)C#N)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(c2)C(F)(F)F)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(c2)C(F)F)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OC(F)(F)F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OCC(F)(F)F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OCC(F)F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OCC3CC3)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OCC3CCC3)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(c2)C(F)(F)F)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(CF)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(Cl)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(c2)C#N)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(c2)C#N)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)cc2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)cc2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)F)c(Cl)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)F)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)F)c(F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC3CC3)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC3CC3)c(Cl)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC3CC3)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC3CC3)c(OC(F)(F)F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OCC(F)(F)F)c(F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OCC(F)F)c(Cl)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OCC3CC3)c(Cl)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(OCc3ccccc3)c(F)c2)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(c(C)c2)C(F)(F)F)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(c(C)c2)C(F)(F)F)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(C)n1)-c1nc(-c2ccc(c(Cl)c2)C(F)(F)F)n2CCOCCc12
Cc1cc(cc(C)n1)-c1nc(-c2ccc(c(F)c2)C(F)(F)F)n2CCOCCc12
Cc1cc(cc(CF)n1)-c1nc(-c2ccc(OC(F)(F)F)c(C)c2)n2CCOCCc12
Cc1cc(cc(CF)n1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(CF)n1)-c1nc(-c2ccc(OC(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(CO)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
Cc1cc(cc(CO)n1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(CO)n1)-c1nc(-c2ccc(OCF)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(n1)C(F)F)-c1nc(-c2ccc(OC(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(cc(n1)C1CC1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:19|
Cc1cc(cc2CN(Cc3ccc(OC(F)(F)F)cc3)C(=O)c12)-c1nc(CN2CCNCC2)no1
Cc1cc(ccc1C(O)=O)-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
Cc1cc(ccc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1
Cc1cc(ccc1OC(F)(F)F)-c1nc(c2CCOCCn12)-c1ccnc(F)c1
Cc1cc(ccc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
Cc1cc(ccn1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:15|
Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(Cl)c(Cl)cc2NC(=O)C1 |t:15|
Cc1cc(ccn1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C(F)(F)F |t:15|
Cc1cc(ccn1)-c1nc(-c2ccc(Cl)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(ccn1)-c1nc(-c2ccc(Cl)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(ccn1)-c1nc(-c2ccc(Cl)c(c2)C(F)F)n2CCOCCc12
Cc1cc(ccn1)-c1nc(-c2ccc(F)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(ccn1)-c1nc(-c2ccc(F)c(c2)C(F)(F)F)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)c(C)c2)n2CCOCCc12
Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)c(c2)C#N)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)cc2)n2CCOCCc12
Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)cc2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)F)c(F)c2)n2CCOCCc12
Cc1cc(ccn1)-c1nc(-c2ccc(c(C)c2)C(F)(F)F)n2C[C@@H](CF)OCCc12 |r|
Cc1cc(nc(n1)-c1cccc(c1)-c1cc(F)cc(c1)C(O)=O)-c1ccoc1
Cc1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)-c1ccoc1
Cc1cc(nc(n1)-c1cccc(c1)-c1cccc(c1)C(O)=O)-c1ccoc1
Cc1cc(nc(n1)N1CCCC1)C1CCN(Cc2nc3ccccc3n2C)CC1
Cc1cc(on1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:14|
Cc1cc(sn1)-c1cc(nc2CN(Cc3ccnc(OC(F)F)c3)CCc12)C(N)=O
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Br)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Nc2ccccn2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cc(F)cc(F)c2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(Br)c2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2ccccn2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2ncccn2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Sc2ncccn2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccc(N)nc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccc(nc1)C1CC1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccccn1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccnc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccnn1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(CO)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(Cc2ccccc2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)-c1ccccc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)-n1cccc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C#N |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C(C)(C)O |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C(F)(F)F |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C1CC1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C1CCCC1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)N1CCOCC1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncn1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnnc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cnccn1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cncnc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1cncn1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1nncc1CO |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)B1OC(C)(C)C(C)(C)O1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)C#CCO |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)C#Cc1ccccc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)S(=O)(=O)c1ncccn1 |c:4|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(OCc2ccccc2)c1
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cc(F)cc(F)c2)c1
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(Br)c2)c1 |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(c2)C(F)(F)F)c1 |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2ccccc2)c1 |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2ccccn2)c1 |w:17.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2ncccn2)c1 |w:17.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2ncccn2)c1 |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Sc2ncccn2)c1 |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)C#C[Si](C)(C)C
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)C(=O)NCC#C |w:5.18|
Cc1ccc(CC(O)c2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
Cc1ccc(CCN2CCn3c(C2)nc2ccccc32)cc1
Cc1ccc(CO)cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
Cc1ccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)cc1 |r|
Cc1ccc(COc2cnc(cc2-c2ccc(F)cc2)C#N)cn1
Cc1ccc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)cn1
Cc1ccc(COc2cnc(cc2-c2ccc(nc2)C(F)(F)F)C(N)=O)cn1
Cc1ccc(COc2cnc(cc2-c2cnn(C)c2)C(N)=O)cn1
Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O
Cc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|
Cc1ccc(OC2CCN(CC2)c2cnc(cc2-c2ccc(F)cc2)C(N)=O)cn1
Cc1ccc(OC2CN(C2)c2cnc(cc2-c2ccc(F)cc2)C(N)=O)cn1
Cc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
Cc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(O)=O
Cc1ccc(OCCCOc2cnc(cc2-c2ccc(F)cc2)C#N)cn1
Cc1ccc(OCCOc2cnc(cc2-c2ccc(F)cc2)C(N)=O)cn1
Cc1ccc(OCc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)c(C)n1
Cc1ccc(OCc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)cn1
Cc1ccc(OCc2cnc(cc2-c2ccc(F)cc2)C(N)=O)cn1
Cc1ccc(Oc2ccc(cc2)-c2ccn(CC3CC3)c(=O)c2C#N)c(C)n1
Cc1ccc(Oc2ccc(cc2Cl)-c2ccn(CC3CC3)c(=O)c2C#N)c(C)n1
Cc1ccc(Oc2ccc(cc2Cl)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(C)n1
Cc1ccc(Oc2ccc(cc2Cl)-c2ccn3c(CC4CC4)nnc3c2C)c(C)n1
Cc1ccc(Oc2ccc(cc2Cl)-c2ccn3c(CC4CC4)nnc3c2Cl)c(C)n1
Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC(F)(F)F)nnc3c2Cl)c(C)n1
Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(C)n1
Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C)c(C)n1
Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)c(C)n1
Cc1ccc(c(F)c1)-c1cc(nc2ccccc12)C(N)=O
Cc1ccc(c(c1)C#N)-c1cc(nc2ccccc12)C(N)=O
Cc1ccc(cc1)-c1cc(nc2cc(C)ccc12)C(N)=O
Cc1ccc(cc1)-c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O
Cc1ccc(cc1)-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
Cc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:14|
Cc1ccc(cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1)C(C)(C)O
Cc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
Cc1ccc(cc1-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1)C(O)=O
Cc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Cc1ccc(cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
Cc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:15|
Cc1ccc(s1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(Cl)c1 |c:5|
Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:5|
Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C(F)(F)F |c:5|
Cc1ccc2N=C(CC(=O)Nc2c1)c1ccccc1 |c:5|
Cc1ccc2c(c1)n1nc(cc1n(C)c2=O)-c1ccc(F)cc1
Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(Cl)cc1
Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(cc1)C#N
Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccccc1Cl
Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccccc1F
Cc1cccc(CC[C@@](N)([C@H]2C[C@@H]2C(O)=O)C(O)=O)c1
Cc1cccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)c1
Cc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
Cc1cccc(\C=C\c2ccccc2)n1
Cc1cccc(c1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Cc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1cccnc1
Cc1cccc(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:12|
Cc1cccc(c1)-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
Cc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Cc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Cc1cccc(c1)C#Cc1ncccn1
Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3c(O2)nc(=O)cc3C)cc1 |r|
Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3cc(C)c(=O)nc3O2)cc1 |r|
Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Cc1cccc(n1)C#Cc1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
Cc1cccc(n1)C#Cc1ccccc1
Cc1ccccc1-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Cc1ccccc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
Cc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
Cc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
Cc1ccccc1OCCCCN1CCn2c(nc3ccccc23)C1=O
Cc1ccncc1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Cc1cn(c(C)n1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:15|
Cc1cn(cn1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Cc1cn(cn1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccc(F)cc1 |t:14|
Cc1cn(cn1)C1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC1
Cc1cn(nc1C)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Cc1cnn(C)c1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Cc1conc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Cc1csc(n1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Cc1cscc1-c1cc(nc2ccccc12)C(N)=O
Cc1nc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)no1
Cc1nc(co1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C(F)(F)F |t:14|
Cc1nc(cs1)-c1cccc(c1)-c1ccc(F)cc1
Cc1nc2ccccc2n1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Cc1ncc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(O)=O
Cc1ncc(OCCCOc2cnc(cc2-c2ccc(F)cc2)C#N)cn1
Cc1ncc(OCCCOc2cnc(cc2-c2ccc(F)cc2)C(N)=O)cn1
Cc1ncc(OCCOc2cnc(cc2-c2ccc(F)cc2)C#N)cn1
Cc1ncc(OCCOc2cnc(cc2-c2ccc(F)cc2)C(N)=O)cn1
Cc1ncc(OCc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)cn1
Cc1ncc(o1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
Cc1ncc(s1)-c1cc(nc2CN(Cc3ccnc(OC(F)F)c3)CCc12)C(N)=O
Cc1ncc(s1)-c1cc(nc2CN(Cc3ccnn3C)CCc12)C(N)=O
Cc1ncc(s1)-c1cc(nc2O[C@@H](COC(F)F)CCc12)C(N)=O |r|
Cc1ncc(s1)-c1cc(nc2O[C@H](COC(F)F)CCc12)C(N)=O |r|
Cc1ncc(s1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
Cc1ncccc1OCCCOc1cnc(cc1-c1ccc(F)cc1)C(N)=O
Cc1ncccc1OCc1cc2nc(cc(-c3ccc(F)cc3)c2s1)C(N)=O
Cc1ncccc1Oc1ccc(cc1)-c1ccn(CC2CC2)c(=O)c1C#N
Cc1ncccc1Oc1ccc(cc1Cl)-c1ccn(CC2CC2)c(=O)c1C#N
Cc1nccn1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Cc1noc(C)c1-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Cc1noc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
Cc1nonc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Cc1o[nH]c(=O)c1C(N)C(O)=O
Cc1o[nH]c(=O)c1CCC(N)C(O)=O
Cc1o[nH]c(=O)c1CCCC(N)C(O)=O
Cc1o[nH]c(=O)c1CCCCC(N)C(O)=O
Cc1o[nH]c(=O)c1CC[C@@H](N)C(O)=O
Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O
Cc1o[nH]c(=O)c1C[C@@H](N)C(O)=O
Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@@H](CSc1ccccc1)[C@@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@@H](CSc1ccccc1)[C@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(C)c(C)c1)[C@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2N)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2NC(C)=O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(F)c1)[C@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)cc1)[C@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1cccc(F)c1)[C@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccccc1)[C@@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccccc1)[C@H]2O)C(O)=O |r|
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccccc1F)[C@H]2O)C(O)=O |r|
Clc1c(NC2CCC(CC2)c2ccccc2)cnn2c(CC3CC3)nnc12 |(5.75,4.91,;5.75,3.37,;4.41,2.6,;3.08,3.37,;3.08,4.91,;4.41,5.68,;4.41,7.22,;3.08,7.99,;1.75,7.22,;1.75,5.68,;3.08,9.53,;4.41,10.3,;4.41,11.84,;3.08,12.61,;1.75,11.84,;1.75,10.3,;4.41,1.06,;5.75,.29,;7.08,1.06,;8.54,.59,;9.02,-.88,;8.11,-2.12,;6.57,-2.13,;7.95,-3.65,;9.44,1.83,;8.54,3.07,;7.08,2.6,)|
Clc1c(NCC2(COc3ccccc3)CC2)cnn2c(CC3CC3)nnc12
Clc1c(NCC2Cc3ccccc3C2)cnn2c(CC3CC3)nnc12
Clc1c(OC2CCc3ccccc3C2)ccn2c(CC3CC3)nnc12
Clc1c(OCCc2ccccc2)ccn2c(CC3CC3)nnc12
Clc1c(OCc2ccc(cc2)-c2ccccc2)ccn2c(CC3CC3)nnc12
Clc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12
Clc1c(OCc2cccc(c2)-c2ccccc2)ccn2c(CC3CC3)nnc12
Clc1c(OCc2cccc(c2)-c2cncnc2)ccn2c(CC3CC3)nnc12
Clc1c(OCc2cccc3ccncc23)ccn2c(CC3CC3)nnc12
Clc1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12
Clc1c(OCc2ccccc2-c2ccccc2)ccn2c(CC3CC3)nnc12
Clc1c(OCc2ccccn2)ccn2c(CC3CC3)nnc12
Clc1c(OCc2cccnc2)ccn2c(CC3CC3)nnc12
Clc1c(ccn(CC2CC2)c1=O)N1CCC(CC1)(C#N)c1ccccc1
Clc1c(ccn(CC2CC2)c1=O)N1CCC(CC1)c1ccc(cc1)N1CCOCC1
Clc1c(ccn(CC2CC2)c1=O)N1CCC(CC1)c1ccccc1
Clc1c(ccn(CCC2CC2)c1=O)N1CCC(CC1)c1ccccc1
Clc1c(ccn2c(CC3CC3)nnc12)-c1ccc2OCOc2c1
Clc1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Clc1c(ccn2c(CC3CC3)nnc12)N1CCN(CC1)c1ccccc1
Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1C#N
Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccn1
Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1cccnc1
Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccncc1
Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ncccn1
Clc1c(cnn2c(CC3CC3)nnc12)N1CCC2(CC1)C1C=CC=CC1OC2=O |c:25,27|
Clc1c(cnn2c(CC3CC3)nnc12)N1CCC2(CC1)C=Cc1ccccc21 |c:24|
Clc1c(cnn2c(CCC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Clc1c(cnn2c(Cc3ccccc3)nnc12)N1CCC(CC1)c1ccccc1
Clc1c(ncn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Clc1c(ncn2c(CC3CC3)nnc12)N1CCC(Cc2ccccc2)CC1
Clc1c2C(=O)C(Cc2cc(OCc2ccc(cc2)-c2nnn[nH]2)c1Cl)C1CCCC1
Clc1c2C(=O)C(Cc2cc(OCc2cccc(CSc3ccncc3)c2)c1Cl)C1CCCC1
Clc1cc(Br)c2nnn(CC3CC3)c2c1
Clc1cc(Br)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|
Clc1cc(Cl)cc(c1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
Clc1cc(ccc1NC1CC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Clc1cc(ccc1NC1CCOCC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Clc1cc(ccc1OC1CCOCC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccccc1 |t:8|
Clc1ccc(CCCCN2CCn3c(C2)nc2ccccc32)c(Cl)c1
Clc1ccc(CCN2CCn3c(C2)nc2ccccc32)cc1
Clc1ccc(CN2CCn3c(nc4cccc(Br)c34)C2=O)cc1
Clc1ccc(CN2CCn3c(nc4cccc(Br)c34)C2=O)cn1
Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r|
Clc1ccc(COc2ccn3c(CC4CC4)nnc3c2Cl)cc1
Clc1ccc(Cn2nnc3c(Br)cccc23)cc1
Clc1ccc(Cn2nnc3c(Br)cccc23)cn1
Clc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Clc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
Clc1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)cc1
Clc1ccc(OCCCN2CCn3c(C2)nc2ccccc32)cc1Cl
Clc1ccc(OCCCN2CCn3c(nc4ccccc34)C2=O)cc1Cl
Clc1ccc(SCCCN2CCn3c(C2)nc2ccccc32)cc1
Clc1ccc(\C(OC2CCCC2)=C\n2cncn2)c(Cl)c1
Clc1ccc(\C(OC2CCCCC2)=C\n2cncn2)c(Cl)c1
Clc1ccc(\C(OC2CCCCCC2)=C\n2cncn2)c(Cl)c1
Clc1ccc(\C(OC2CCCCCCC2)=C\n2cncn2)c(Cl)c1
Clc1ccc(\C(OCc2ccccc2)=C\n2cnnn2)c(Cl)c1
Clc1ccc(c(Cl)c1)-c1ccc(Cn2nnc3ccccc23)cc1
Clc1ccc(cc1)-c1ccc(Cn2nnc3ccccc23)cn1
Clc1ccc(cc1)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:12|
Clc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
Clc1ccc(cc1)-c1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Clc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Clc1ccc(cn1)-c1nc(cs1)-c1cccc(c1)-c1ccccc1
Clc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1ccncc1 |c:5|
Clc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:5|
Clc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5|
Clc1cccc(C2CCN(CC2)c2cnn3c(CC4CC4)nnc3c2Cl)c1Cl
Clc1cccc(COc2ccn3c(CC4CC4)nnc3c2Cl)c1
Clc1cccc(Cl)c1-c1ccn2c(nnc2c1)C1CCCCCC1
Clc1cccc(Cl)c1\C(OC1CCCCC1)=C\n1cncn1
Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Clc1cccc(Cl)c1\C(OCc1ccccc1)=C\n1cncn1
Clc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
Clc1cccc(SCCCN2CCn3c(C2)nc2ccccc32)c1Cl
Clc1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
Clc1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:8|
Clc1cccc2n(CC3CC3)nnc12
Clc1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Clc1ccccc1-c1cccc(c1)-c1csc(n1)-c1ccccc1
Clc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:14|
Clc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Clc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1Cl
Clc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
Clc1ccccc1COc1ccn2c(CC3CC3)nnc2c1Cl
Clc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
Clc1cnc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Clc1cnc(nc1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1
Cn1c(CN2CCC(C(O)C2)c2ccc(cc2)C(F)(F)F)nc2ncccc12
Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2F)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccc(F)cc2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccc(OC(F)(F)F)cc2F)nc2ncccc12
Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2cccnc12
Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccncc12
Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2cnccc12
Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ncccc12
Cn1c(CN2CCC(CC2)c2ccc(cc2F)C(F)(F)F)nc2ncccc12
Cn1c(CN2CCC(CC2)c2cccc(Cl)c2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2cccc(F)c2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2cccc(c2)C#N)nc2ccccc12
Cn1c(CN2CCC(CC2)c2cccc(c2)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccccc2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccccc2C(F)(F)F)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccccc2Cl)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccccn2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2nc3ccccc3s2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCC(CC2)c2nsc3ccccc23)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccc(cc2)C#N)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccc(cn2)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccccc2)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccccc2C(F)(F)F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccccc2F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccccn2)nc2ccccc12
Cn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2cc(F)ccc12
Cn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2cc(ccc12)C#N
Cn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2cc(ccc12)C(F)(F)F
Cn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2ccc(F)cc12
Cn1c(CN2CCN(CC2)c2nc3ccccc3s2)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ncccc12
Cn1c(CN2CC[C@@H](c3ccc(cc3)C(F)(F)F)C(C)(C)C2)nc2ncccc12 |r|
Cn1c(CN2C[C@H]3C(COc4cc(F)ccc4F)[C@H]3C2)nc2ccccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccc(Cl)cc4)[C@H]3C2)nc2ccccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccc(Cl)cc4F)[C@H]3C2)nc2ccccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccc(Cl)cn4)[C@H]3C2)nc2ccccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccc(Cl)nc4)[C@H]3C2)nc2ccccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2ccccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2cccnc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2cnccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2ncccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccc(cn4)C(F)(F)F)[C@H]3C2)nc2ccccc12 |r|
Cn1c(CN2C[C@H]3C(COc4cccc(Cl)c4)[C@H]3C2)nc2cnccc12 |r|
Cn1c(CN2C[C@H]3C(COc4cccc(Cl)c4)[C@H]3C2)nc2ncccc12 |r|
Cn1c(CN2C[C@H]3C(COc4cccc(c4)-c4ccccc4)[C@H]3C2)nc2ccccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccccc4)[C@H]3C2)nc2ccccc12 |r|
Cn1c(CN2C[C@H]3C(COc4ccccc4)[C@H]3C2)nc2ccncc12 |r|
Cn1c(CN2[C@H]3CC[C@@H]2CC(C3)c2ccc(cc2)C(F)(F)F)nc2ncccc12 |r,THB:12:10:4:7.6|
Cn1c2cc(OCc3cccc(c3)-c3cc(F)cc(c3)C(O)=O)ccc2n(CC(C)(C)C)c1=O
Cn1c2cc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccc2ccncc2c1)-c1ccccc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccc2cn[nH]c2c1)-c1ccccc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccc(c1)S(N)(=O)=O)-c1ccc(Cl)cc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccc(c1)S(N)(=O)=O)-c1ccc(F)cc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccc(c1)S(N)(=O)=O)-c1cccc(F)c1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccc(c1)S(N)(=O)=O)-c1ccccc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccccc1)-c1ccccc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccc(Cl)cc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccc(F)cc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1cccc(Br)c1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1cccc(Cl)c1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1cccc(F)c1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccccc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccncc1)-c1ccccc1
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cncnc1)-c1ccccc1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1cc(ccc1C#N)C(C)(C)O
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccc(CO)cc1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccc(cc1)C#N
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccc(cc1)S(C)(=O)=O
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1cccc(CO)c1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1cccc(c1)C#N
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1cccc(c1)S(C)(=O)=O
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1C#N
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1F
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1S(C)(=O)=O
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)C1CC1 |t:18|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)Cn1cncn1 |t:18|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1cccnc1 |t:18|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1ccon1 |t:18|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1csnn1 |t:18|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1ncco1 |t:18|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)C1(O)CCC1 |t:18|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)CO |t:18|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)c1ncco1 |t:18|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCC(C)(C)C(C1)NC(=O)c1cnsn1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCN(CC1)C(=O)c1ccon1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2C(=O)OC(C)(C)C
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2C(=O)c1ccccc1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2C(=O)c1cccnc1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2c1ncccn1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCC2CCCCC12
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCCC1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCc2ccccc12
Cn1c2nc(ccc2n(CC2CC2(F)F)c1=O)C1=CC2CCC1CN2C(=O)c1ccon1 |t:20|
Cn1c2nc(ccc2n(CC2CC2(F)F)c1=O)C1=CC2CN(CC2C1)C(=O)c1ncco1 |t:20|
Cn1cc(CCC(N)([C@H]2C[C@@H]2C(O)=O)C(O)=O)c2ccccc12
Cn1cc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)cn1
Cn1cc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)cn1
Cn1cc(cn1)-c1cc(nc2[C@@H]3CC[C@H](Cc12)O3)C(N)=O |r|
Cn1cc(cn1)-c1cc(nc2[C@H]3CC[C@@H](Cc12)O3)C(N)=O |r|
Cn1cc(cn1)-c1cc(nc2c(F)c(CN3C(=O)NC(C)(C)C3=O)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2c(F)c(CN3CCC(F)CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2c(F)c(CN3CCCC(C3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2c(F)c(CN3CCO[C@@H](C3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2c(F)c(CN3CCO[C@H](C3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2c(F)c(Cc3ccc(nc3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2c(F)c(Cc3ccc(nc3)C3CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2c(F)c(Cc3cnc(nc3)C3CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCC(CC3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCC(F)(F)CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCC(F)CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCC4(CC4)CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCCC(C3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCCC(F)(F)C3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCCC(F)C3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCCC4(CC4)C3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCCCC33CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCCCC3CF)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCC[C@@H](O)C3)ccc12)C(N)=O |r|
Cn1cc(cn1)-c1cc(nc2cc(CN3CCC[C@H](O)C3)ccc12)C(N)=O |r|
Cn1cc(cn1)-c1cc(nc2cc(CN3CCOC(C)(C)C3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCOC(CC(F)(F)F)C3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCOCC3(C)C)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCO[C@@H](C3)C(F)(F)F)ccc12)C(N)=O |r|
Cn1cc(cn1)-c1cc(nc2cc(CN3CCO[C@H](C3)C(F)(F)F)ccc12)C(N)=O |r|
Cn1cc(cn1)-c1cc(nc2cc(CN3CCS(=O)(=O)C(C3)C3CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCSC(C3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3CCSC(C3)C3CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(CN3C[C@@H](OC(C)(C)C3)C(F)(F)F)ccc12)C(N)=O |r|
Cn1cc(cn1)-c1cc(nc2cc(CN3C[C@@H](OCC3(C)C)C(F)(F)F)ccc12)C(N)=O |r|
Cn1cc(cn1)-c1cc(nc2cc(Cc3cc(Cl)nc(c3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(Cc3cc(nc(c3)C(F)(F)F)C3CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(Cc3ccc(F)c(c3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(Cc3cccc(n3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(Cc3cccnc3C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(Cc3ccnc(c3)C#N)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(Cc3ccnc(c3)C(F)(F)F)ccc12)C#N
Cn1cc(cn1)-c1cc(nc2cc(Cc3ccnc(c3)C(F)(F)F)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(Cc3cnc(Cl)nc3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(Cc3cnc(F)nc3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2cc(Cc3cnc(nc3)C3CC3)ccc12)C(N)=O
Cn1cc(cn1)-c1cc(nc2ccccc12)C(N)=O
Cn1cc(cn1)-c1cc(ncc1OCc1cc(F)cc(F)c1)C(N)=O
Cn1cc(cn1)-c1cc(ncc1OCc1ccc(nc1)C(F)(F)F)C(N)=O
Cn1cc(cn1)-c1cc(ncc1OCc1cccnc1)C(N)=O
Cn1ccc(COc2cnc(cc2-c2ccc(F)cc2)C#N)n1
Cn1ccc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)n1
Cn1ccc(OCc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)n1
Cn1ccc2cc(cc(Cl)c12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
Cn1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
Cn1ccnc1-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:14|
Cn1cncc1CN1CCc2c(C1)nc(cc2-c1ccc(Cl)cc1F)C(N)=O
Cn1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
Cn1nccc1-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C(F)(F)F |t:14|
Cn1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(Cl)cc1F)C(N)=O
Cn1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Cn1ncnc1CN1CCc2c(C1)nc(cc2-c1ccc(Cl)cc1F)C(N)=O
Cn1nnc2c(Br)cccc12
Cn1nncc1CN1CCc2c(C1)nc(cc2-c1c(F)cc(F)cc1F)C(N)=O |(-2.82,.77,;-4.15,1.54,;-5.61,1.06,;-6.52,2.31,;-5.61,3.56,;-4.15,3.08,;-2.82,3.85,;-1.48,3.08,;-1.48,1.54,;-.15,.77,;1.18,1.54,;1.18,3.08,;-.15,3.85,;2.52,3.85,;3.85,3.08,;3.85,1.54,;2.52,.77,;2.52,-.77,;1.18,-1.54,;-.15,-.77,;1.18,-3.08,;2.52,-3.85,;2.52,-5.39,;3.85,-3.08,;3.85,-1.54,;5.19,-.77,;5.19,3.85,;6.52,3.08,;5.19,5.39,)|
Cn1nnnc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Cn1sc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2c1=O
FC(F)(F)C1(CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl)c1ccccc1
FC(F)(F)CCCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
FC(F)(F)COc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:10|
FC(F)(F)COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OC(F)(F)F)c1
FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OC2CCC2)c1
FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OC2CCCC2)c1
FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OC2CCCCC2)c1
FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OCc2ccccc2)c1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1cc(Cl)c2[nH]ccc2c1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1cc(Cl)c2n(CC3CC3)ccc2c1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(N2CCOCC2)c(Cl)c1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(NC2CC2)c(Cl)c1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(NC2CCOCC2)c(Cl)c1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(OC2CCOCC2)c(Cl)c1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(OCc2ccccc2)cc1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(Oc2ccccc2)cc1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(cc1)N1CCCCC1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc2NCCOc2c1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc2n(CC3CC3)ccc2c1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc2n(ccc2c1)C1CCOCC1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1ncccn1
FC(F)(F)Cc1cnc2c(Cl)c(ccn12)-c1cc(Cl)c2[nH]ccc2c1
FC(F)(F)Cc1cnc2c(Cl)c(ccn12)-c1cc(Cl)c2n(CC3CC3)ccc2c1
FC(F)(F)Cc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
FC(F)(F)Cc1nnc2c(Cl)c(NC3CCC(CC3)c3ccccc3)cnn12 |(6.58,-1.96,;8.11,-2.12,;8.74,-3.53,;9.64,-2.28,;9.02,-.88,;8.54,.59,;9.44,1.83,;8.54,3.07,;7.08,2.6,;5.75,3.37,;5.75,4.91,;4.41,2.6,;3.08,3.37,;1.75,2.6,;.41,3.37,;-.92,2.6,;-.92,1.06,;.41,.29,;1.75,1.06,;-2.25,.29,;-3.59,1.06,;-4.92,.29,;-4.92,-1.25,;-3.59,-2.02,;-2.25,-1.25,;4.41,1.06,;5.75,.29,;7.08,1.06,)|
FC(F)(F)Cc1nnc2c(Cl)c(ccn12)N1CCC(CC1)c1ccccc1
FC(F)(F)Cc1nnc2c(Cl)c(ccn12)N1CCC(F)(CC1)c1ccccc1
FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1cc(Cl)cc(Cl)c1
FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1cccc(Cl)c1Cl
FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1
FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1C#N
FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1C(F)(F)F
FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1Cl
FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccn1
FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC2(CC1)C1C=CC=CC1OC2=O |c:25,27|
FC(F)(F)Cc1nnc2c(c(cnn12)N1CCC(CC1)c1ccccc1C#N)C(F)(F)F
FC(F)(F)Oc1ccc(CCCCN2CCn3c(C2)nc2ccccc32)cc1
FC(F)(F)Oc1ccc(Cn2ccc(N3CCC(CC3)c3ccccc3)c(Cl)c2=O)cc1
FC(F)(F)Oc1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)cc1
FC(F)(F)c1c(CN2CCC(CC2)(c2ccccc2)C(F)(F)F)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2Cl)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(CN2CCC(F)(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(CN2CCCC(C2)c2ccccc2)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(CN2CCN(CC2)c2ccc(Cl)cc2Cl)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(OC2CC(C2)c2ccccc2)ccn2c(CC3CC3)nnc12 |(13.37,-10.07,;14.59,-10.77,;14.34,-9.18,;13.07,-11.34,;15.92,-11.55,;15.92,-13.09,;14.57,-13.85,;14.56,-15.39,;13.46,-16.47,;14.54,-17.57,;15.64,-16.49,;14.53,-19.1,;13.19,-19.86,;13.18,-21.4,;14.51,-22.18,;15.85,-21.41,;15.86,-19.87,;17.25,-13.87,;18.58,-13.1,;18.59,-11.56,;19.73,-10.54,;21.24,-10.87,;22.33,-9.78,;22.74,-8.3,;23.83,-9.39,;19.12,-9.13,;17.58,-9.28,;17.26,-10.79,)|
FC(F)(F)c1c(OCC(F)(F)c2ccccc2)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(OCC2(CC2)c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(OCC2(CCCCC2)c2ccccc2)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(OCC2CC2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(OC[C@@H]2C[C@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r|
FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r|
FC(F)(F)c1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12
FC(F)(F)c1c(O[C@H]2CC[C@@H](CC2)c2ccccc2)ccn2c(CC3CC3)nnc12 |r,wU:10.13,wD:7.6,(11.67,-8.41,;12.88,-9.12,;12.63,-7.53,;11.37,-9.68,;14.21,-9.9,;14.21,-11.43,;12.87,-12.19,;12.86,-13.73,;11.51,-14.49,;11.5,-16.02,;12.82,-16.8,;14.16,-16.05,;14.18,-14.5,;12.8,-18.34,;11.46,-19.09,;11.44,-20.62,;12.77,-21.41,;14.11,-20.65,;14.12,-19.11,;15.54,-12.21,;16.87,-11.44,;16.88,-9.91,;18.02,-8.88,;19.53,-9.21,;20.62,-8.12,;21.02,-6.65,;22.11,-7.73,;17.41,-7.48,;15.88,-7.63,;15.55,-9.14,)|
FC(F)(F)c1c(ccn(CC2CC2)c1=O)N1CCC(CC1)c1ccccc1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(CNC(=O)c2ccc(cc2)S(F)(=O)=O)cc1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(CNC2CCOCC2)c(Cl)c1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC(=O)c2ccc(cc2)S(F)(=O)=O)cc1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CC2)c(Cl)c1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CCOCC2)c(Cl)c1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(OC2CCOCC2)c(Cl)c1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(OCC2CC2)c(Cl)c1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc2[nH]ccc2c1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1cccc(NC(=O)c2ccc(cc2)S(F)(=O)=O)c1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(C1)c1ccccc1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1cccnc1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(F)(CC1)c1ccccc1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCc2ccccc2C1
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1Cc2ccccc2C1
FC(F)(F)c1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
FC(F)(F)c1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1C#N
FC(F)(F)c1c(ncn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
FC(F)(F)c1cc(Br)c2nnn(CC3CC3)c2c1
FC(F)(F)c1cc2NC(=O)CC(=Nc2cc1Cl)c1cccc(c1)-n1ccnc1 |c:11|
FC(F)(F)c1cc2NC(=O)CC(=Nc2cc1Cl)c1cccc(c1)-n1ccnn1 |c:11|
FC(F)(F)c1ccc(-c2ccc3N=C(CC(=O)Nc3c2)c2ccnc(Br)c2)c(c1)C(F)(F)F |c:12|
FC(F)(F)c1ccc(Cl)nc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
FC(F)(F)c1ccc(Cl)nc1N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1
FC(F)(F)c1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
FC(F)(F)c1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)cc1
FC(F)(F)c1ccc(c(Cl)c1)-c1ccc(Cn2nnc3ccccc23)cc1
FC(F)(F)c1ccc(cc1)C(\OC1CCCCCC1)=C\n1cncn1
FC(F)(F)c1ccc(cn1)-c1cc(nc(n1)-c1cccc(c1)-c1cccc(c1)-c1nn[nH]n1)C(F)(F)F
FC(F)(F)c1ccc(cn1)-c1nc(nn1-c1ccccc1)-c1cccc(c1)-c1ccccc1
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1ccncc1 |c:8|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:8|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:8|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Br)c1 |c:8|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:8|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)-c1ccccc1 |c:8|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:8|
FC(F)(F)c1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
FC(F)(F)c1cccc(c1)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
FC(F)(F)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:11|
FC(F)(F)c1cccc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
FC(F)(F)c1cccc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1Cl
FC(F)(F)c1cccc(n1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
FC(F)(F)c1cccc2n(CC3CC3)nnc12
FC(F)(F)c1cccc2nc3C(=O)N(CC4CC4)CCn3c12
FC(F)(F)c1cccc2nc3C(=O)N(CC4CC5CCC4C5)CCn3c12
FC(F)(F)c1cccc2nc3C(=O)N(CC4CCC4)CCn3c12
FC(F)(F)c1cccc2nc3C(=O)N(Cc4ccc(Cl)cc4)CCn3c12
FC(F)(F)c1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
FC(F)(F)c1ccccc1OCC1CN(C(=O)O1)c1ccccc1
FC(F)Oc1c(F)cc(F)cc1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
FC(F)Oc1c(F)cc(F)cc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
FC(F)Oc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
FC(F)Oc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
FC(F)Oc1cc(F)c(F)cc1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
FC(F)Oc1cc(F)c(F)cc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
FC(F)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:7|
FC1(CCN(CC1)c1ccn(CC2CC2)c(=O)c1Cl)c1ccccc1
FC1(CCN(CC1)c1ccn(CCC2CC2)c(=O)c1Cl)c1ccccc1
FC1(F)CC1Cc1nnc2c(Cl)c(ccn12)-c1ccc2OCCc2c1
FC1(F)CC1Cc1nnc2c(Cl)c(ccn12)-c1ccc2OCOc2c1
FC1(F)CC1Cc1nnc2cc(ccn12)-c1ccc2OCCc2c1
FC1(F)CC1Cc1nnc2cc(ccn12)-c1ccc2OCOc2c1
FC1(F)CC1Cc1nnc2cc(ccn12)-c1cccc2CCOc12
FC1(F)CC1Cc1nnc2cc(ccn12)-c1cccc2cccnc12
FCC1(CCN(CC1)c1ccn(CC2CC2)c(=O)c1Cl)c1ccccc1
FCCOC1(CCN(CC1)c1ccn(CC2CC2)c(=O)c1Cl)c1ccccc1
FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Fc1cc(Br)c2nnn(CC3CC3)c2c1
Fc1cc(Br)ccc1CN1CCn2c(nc3cccc(Br)c23)C1=O
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(Br)cccc23)cn1
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(F)cccc23)cn1
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(cccc23)C#N)cn1
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(cccc23)C(F)(F)F)cn1
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3ccccc23)cc1
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3ccccc23)cn1
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3ccccc23)nc1
Fc1cc(Cl)ccc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
Fc1cc(Cl)ccc1CCCCN1CCn2c(C1)nc1ccccc21
Fc1cc(Cl)ccc1CN1CCn2c(nc3cccc(Br)c23)C1=O
Fc1cc(Cl)ccc1Cn1nnc2c(Br)cccc12
Fc1cc(Cl)ccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1cc(Cn2nnc3c(Br)cccc23)ccc1Cl
Fc1cc(F)cc(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:13|
Fc1cc(F)cc(c1)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1cc(F)cc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Fc1cc(NC(=O)Nc2ccc(Cl)cn2)cc(c1)C#N
Fc1cc(cc(c1)-n1ccc(OCCOc2ccccc2)cc1=O)C#N
Fc1cc(ccc1-c1ccc(Cn2nnc3ccccc23)cc1)C(F)(F)F
Fc1cc(ccc1-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1)C(F)(F)F |c:12|
Fc1cc(ccc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(F)(F)F
Fc1cc(ccc1CCCCN1CCn2c(C1)nc1ccccc21)C(F)(F)F
Fc1cc(ccc1NC1CC1)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Fc1cc(ccc1NC1CC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Fc1cc(ccc1Oc1ccnc(c1)C1CC1)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Fc1cc(ccc1Oc1ccnc(c1)C1CC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Fc1ccc(C#Cc2ccc3N=C(CC(=O)Nc3c2)c2cccc(c2)C#N)c(F)c1 |c:11|
Fc1ccc(C2CCC(CC2)c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1 |(-8.6,-5.07,;-7.27,-4.3,;-5.93,-5.06,;-4.61,-4.3,;-4.61,-2.76,;-3.27,-1.99,;-3.27,-.45,;-1.94,.32,;-.61,-.45,;-.61,-1.99,;-1.94,-2.76,;.73,.32,;2.06,-.45,;3.39,.32,;3.39,1.86,;4.54,2.89,;6.03,2.5,;7.11,3.59,;8.6,3.98,;7.51,5.07,;3.91,4.3,;2.38,4.14,;2.06,2.63,;.73,1.86,;-.61,2.63,;-1.94,1.86,;.16,3.97,;-1.38,3.97,;-5.94,-1.99,;-5.94,-.45,;-7.27,-2.76,)|
Fc1ccc(C2CCN(CC2)c2ccn(CC3CC3)c(=O)c2C#N)c(F)c1
Fc1ccc(C2CCN(CC2)c2ccn(CC3CC3)c(=O)c2Cl)c(F)c1
Fc1ccc(C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1
Fc1ccc(C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)c(F)c1
Fc1ccc(C2CCN(CC2)c2cnn3c(CC(F)(F)F)nnc3c2Cl)c(F)c1
Fc1ccc(C2CCN(CC2)c2cnn3c(CC4CC4)nnc3c2Cl)c(F)c1
Fc1ccc(C2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Fc1ccc(CCCCN2CCn3c(C2)nc2ccccc32)c(F)c1
Fc1ccc(CCN2CCn3c(C2)nc2ccccc32)cc1
Fc1ccc(CN2CCn3c(nc4cccc(Br)c34)C2=O)cc1
Fc1ccc(COC2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Fc1ccc(Cn2nnc3c(Br)cccc23)c(Cl)c1
Fc1ccc(Cn2nnc3c(Br)cccc23)cc1
Fc1ccc(F)c(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:13|
Fc1ccc(F)c(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:13|
Fc1ccc(N2CCCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Fc1ccc(N2CCN(CC2)C(=O)c2cnc3n(CC4CC4)ncc3c2C(F)(F)F)c(F)c1
Fc1ccc(N2CCN(Cc3cc(cn4c(CC5CC5)nnc34)C(F)(F)F)CC2)c(F)c1
Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(Cl)c1
Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Fc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Fc1ccc(OC2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Fc1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)c(Br)c1
Fc1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)c(F)c1
Fc1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)cc1Cl
Fc1ccc(OCCCN2CCn3c(C2)nc2ccccc32)cc1Cl
Fc1ccc(OCCCN2CCn3c(C2)nc2ccccc32)cc1F
Fc1ccc(OCCCN2CCn3c(nc4ccccc34)C2=O)cc1Cl
Fc1ccc(OCCOc2ccn(-c3ccc(F)cc3)c(=O)c2)cc1
Fc1ccc(SCCCN2CCn3c(C2)nc2ccccc32)c(F)c1
Fc1ccc(SCCCN2CCn3c(C2)nc2ccccc32)cc1
Fc1ccc(SCCCN2CCn3c(C2)nc2ccccc32)cc1F
Fc1ccc([C@@H]2CC[C@@H](CC2)NCc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1 |r,wD:8.11,5.4,(18.94,-13.23,;20.28,-12.47,;20.29,-10.92,;21.63,-10.16,;22.95,-10.95,;24.29,-10.18,;24.3,-8.64,;25.63,-7.87,;26.97,-8.65,;26.97,-10.19,;25.62,-10.96,;28.3,-7.88,;28.3,-6.35,;29.63,-5.58,;30.96,-6.35,;32.3,-5.58,;32.29,-4.03,;33.43,-2.99,;34.94,-3.31,;35.96,-2.16,;37.42,-1.67,;36.27,-.65,;32.8,-1.59,;31.27,-1.76,;30.96,-3.27,;29.63,-4.04,;28.3,-3.27,;28.3,-1.73,;26.96,-4.04,;26.96,-2.5,;22.95,-12.48,;24.29,-13.24,;21.62,-13.24,)|
Fc1ccc([C@H]2CC[C@@H](CC2)NCc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1 |r,wU:5.4,wD:8.11,(20.7,-24.55,;22.03,-23.78,;22.04,-22.24,;23.38,-21.48,;24.7,-22.26,;26.04,-21.5,;26.05,-19.96,;27.38,-19.19,;28.72,-19.97,;28.72,-21.51,;27.37,-22.28,;30.06,-19.2,;30.05,-17.66,;31.38,-16.9,;32.72,-17.67,;34.05,-16.9,;34.05,-15.35,;35.18,-14.31,;36.69,-14.63,;37.72,-13.48,;39.17,-12.99,;38.02,-11.97,;34.55,-12.91,;33.02,-13.08,;32.71,-14.58,;31.38,-15.35,;30.05,-14.58,;30.05,-13.04,;28.72,-15.36,;28.71,-13.81,;24.7,-23.79,;26.04,-24.56,;23.37,-24.56,)|
Fc1ccc(c(Cl)c1)-c1ccc(Cn2nnc3ccccc23)cc1
Fc1ccc(c(F)c1)-c1ccc(Cn2nnc3ccccc23)cc1
Fc1ccc(cc1)-c1cc(nc2cc(CCc3cncnc3)ccc12)C#N
Fc1ccc(cc1)-c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C#N
Fc1ccc(cc1)-c1cc(nc2cc(CN3C(=O)COC3=O)ccc12)C#N
Fc1ccc(cc1)-c1cc(nc2cc(CN3CCCC3=O)ccc12)C#N
Fc1ccc(cc1)-c1cc(ncc1NCC1CCOCC1)C#N
Fc1ccc(cc1)-c1cc(ncc1NCCCN1CCOCC1)C#N
Fc1ccc(cc1)-c1cc(ncc1NCCN1CCOCC1)C#N
Fc1ccc(cc1)-c1cc(ncc1OC1CCN(C1)c1ccnc(c1)C(F)(F)F)C#N
Fc1ccc(cc1)-c1cc(ncc1OC1CCN(CC1)c1ccnc(c1)C(F)(F)F)C#N
Fc1ccc(cc1)-c1cc(ncc1OC1CN(C1)c1ccnc(c1)C(F)(F)F)C#N
Fc1ccc(cc1)-c1cc(ncc1OCC1CCOCC1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCCCN1CCC(F)(F)CC1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCCCN1CCOCC1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCCCOc1ccc(nc1)C(F)(F)F)C#N
Fc1ccc(cc1)-c1cc(ncc1OCCCOc1cccnc1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCCCOc1ccnc(c1)C(F)(F)F)C#N
Fc1ccc(cc1)-c1cc(ncc1OCCN1CCOCC1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCCOCc1ccccc1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCCOc1cccnc1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCCc1cccnc1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCc1cc(F)cc(F)c1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCc1ccc(Cl)nc1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCc1ccc2nccn2c1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCc1cccc(c1)C#N)C#N
Fc1ccc(cc1)-c1cc(ncc1OCc1cccnc1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCc1ccnc(c1)C(F)(F)F)C#N
Fc1ccc(cc1)-c1cc(ncc1OCc1ccncc1)C#N
Fc1ccc(cc1)-c1cc(ncc1OCc1cncc(Cl)c1)C#N
Fc1ccc(cc1)-c1cc2C(=O)NCc2c2ccccc12
Fc1ccc(cc1)-c1cc2c(nc[nH]c2=O)c2ccccc12
Fc1ccc(cc1)-c1ccc(s1)-c1csc(n1)-c1ccccc1
Fc1ccc(cc1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:12|
Fc1ccc(cc1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Fc1ccc(cc1)-c1cccc(c1)-c1csc(c1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1cc2ccccc2o1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1cc2ccccc2s1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccc(nc1)C(F)(F)F
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccco1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1cccs1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccoc1
Fc1ccc(cc1)-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1nsc(n1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1nsc(n1)-c1ccoc1
Fc1ccc(cc1)-c1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Fc1ccc(cc1)-c1ccccccc2n[nH]c(=O)n2n1
Fc1ccc(cc1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Fc1ccc(cc1)-c1csc(n1)-c1ccccc1
Fc1ccc(cc1)-c1nc2C(=O)NCc2c2ccccc12
Fc1ccc(cc1)-c1nc2n[nH]c(=O)n2c2ccccc12
Fc1ccc(cc1)-n1ccc(OCCCc2ccccc2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2c(F)cccc2F)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cc(Cl)ccn2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cc(F)ccc2F)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cc(ccn2)C#N)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(Cl)cc2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(Cl)cn2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(F)cc2F)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(F)cn2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(F)nc2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(cc2)C#N)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(cn2)C#N)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccc(Cl)c2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccc(Cl)n2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccc(F)c2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccc(F)c2F)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccc(c2)C#N)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccc(n2)C#N)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccccc2)nc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccccc2Cl)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccccc2F)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccccn2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccnc2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccnc2Cl)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccnc2F)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cncc(Cl)c2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cnccc2Cl)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ncccc2C#N)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ncccc2Cl)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ncccc2F)cc1=O
Fc1ccc(cc1)-n1ccc(OCCSc2ccccc2)cc1=O
Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
Fc1ccc(cc1)-n1cnc(OCCOc2ccccc2)cc1=O
Fc1ccc(cc1)-n1ncc(OCCOc2ccccc2)cc1=O
Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:14|
Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:14|
Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1cncn1 |c:14|
Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1cnnn1 |c:14|
Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:14|
Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:14|
Fc1ccc(cc1)C#Cc1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
Fc1ccc(cc1)C1(COc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1ccc(cc1)C1CC(C1)Oc1ccn2c(CC3CC3)nnc2c1C(F)(F)F |(14.5,-23.72,;14.51,-22.18,;13.18,-21.4,;13.19,-19.86,;14.53,-19.1,;15.86,-19.87,;15.85,-21.41,;14.54,-17.57,;13.46,-16.47,;14.56,-15.39,;15.64,-16.49,;14.57,-13.85,;15.92,-13.09,;17.25,-13.87,;18.58,-13.1,;18.59,-11.56,;19.73,-10.54,;21.24,-10.87,;22.33,-9.78,;22.74,-8.3,;23.83,-9.39,;19.12,-9.13,;17.58,-9.28,;17.26,-10.79,;15.92,-11.55,;14.59,-10.77,;13.37,-10.07,;14.34,-9.18,;13.07,-11.34,)|
Fc1ccc(cc1)C1CC1COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Fc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Fc1ccc(cc1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
Fc1ccc(cc1)C1CCN(CC1)c1ncn2c(CC(F)(F)F)nnc2c1Cl
Fc1ccc(cc1)N1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O
Fc1ccc(cc1-c1nn[nH]n1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
Fc1ccc(cc1-c1noc(=O)[nH]1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
Fc1ccc(cc1-c1noc(=S)[nH]1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
Fc1ccc(cc1-c1nsc(=O)[nH]1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)nc1=O
Fc1ccc(cn1)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1ccc(nc1)-n1ccc(OCCOc2ccccc2)nc1=O
Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Fc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5|
Fc1ccc2n(Cc3ccc(nc3)-c3ccc(Cl)cc3F)nnc2c1
Fc1ccc2nnn(Cc3ccc(nc3)-c3ccc(Cl)cc3F)c2c1
Fc1cccc(CCN2CCn3c(C2)nc2ccccc32)c1
Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
Fc1cccc(Cn2nnc3c(Br)cccc23)c1
Fc1cccc(F)c1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Fc1cccc(F)c1C1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1cccc(F)c1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1cccc(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:12|
Fc1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
Fc1cccc(c1)-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
Fc1cccc(c1)-c1cccc(c1)-c1nsc(n1)-c1ccccc1
Fc1cccc(c1)-c1cccc(c1)-c1nsc(n1)-c1ccoc1
Fc1cccc(c1)-c1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Fc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Fc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Fc1cccc(c1)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1cccc(c1)-n1ccc(OCCOc2ccccc2)nc1=O
Fc1cccc(c1)-n1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
Fc1cccc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Fc1cccc(c1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
Fc1cccc(n1)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1cccc2n(CC3CC3)nnc12
Fc1ccccc1-c1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)C(F)(F)F |t:15|
Fc1ccccc1-c1ccc(Cn2nnc3ccccc23)cn1
Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:12|
Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:12|
Fc1ccccc1-c1cccc(c1)-c1csc(n1)-c1ccccc1
Fc1ccccc1-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
Fc1ccccc1-c1cccc(c1)-c1nsc(n1)-c1ccccc1
Fc1ccccc1-n1ccc(OCCOc2ccccc2)cc1=O
Fc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:14|
Fc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:14|
Fc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Fc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1Cl
Fc1ccccc1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
Fc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
Fc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
Fc1ccccc1C1CCN(CC1)c1ncn2c(CC(F)(F)F)nnc2c1Cl
Fc1ccccc1C1CCN(CC1)c1ncn2c(CC3CC3)nnc2c1Cl
Fc1ccccc1C1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1ccccc1CCN1CCn2c(C1)nc1ccccc21
Fc1ccccc1CN1CCn2c(nc3cccc(Br)c23)C1=O
Fc1ccccc1Cn1nnc2c(Br)cccc12
Fc1ccccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1cncc(c1)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Fc1ncccc1-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:12|
Ic1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5|
Ic1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:8|
N#Cc1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
N#Cc1c(ccn2c(CCC3CC3)cnc12)N1CCN(CC1)c1ncccn1
N#Cc1c(ccn2c(CN3CCCC3)nnc12)N1CCC(CC1)c1ccccc1
N#Cc1c(ccn2c(cnc12)-c1ccccc1)N1CCN(CC1)c1ccccc1
N#Cc1ccc(CCCCN2CCn3c(C2)nc2ccccc32)cc1
N#Cc1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
N#Cc1cccc2n(CC3CC3)nnc12
NC(=O)C1CC(O)CN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
NC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:8|
NC(=O)[C@@H]1CCCN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1 |r|
NC(=O)c1cc(-c2c(Cl)cc(F)cc2Cl)c2ccccc2n1 |(-1.33,-.77,;;,1.54,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;,-4.62,;1.33,-6.93,;2.67,-7.7,;2.67,-9.24,;4,-6.93,;4,-5.39,;5.33,-4.62,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
NC(=O)c1cc(-c2c(F)cc(Cl)cc2F)c2ccccc2n1 |(9.82,-3.35,;8.49,-2.58,;8.49,-1.04,;7.15,-3.35,;7.15,-4.89,;5.82,-5.66,;5.82,-7.2,;4.49,-7.97,;3.15,-7.2,;4.49,-9.51,;5.82,-10.28,;5.82,-11.82,;7.15,-9.51,;7.15,-7.97,;8.49,-7.2,;4.49,-4.89,;3.15,-5.66,;1.82,-4.89,;1.82,-3.35,;3.15,-2.58,;4.49,-3.35,;5.82,-2.58,)|
NC(=O)c1cc(-c2cc(ns2)C2CC2)c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1
NC(=O)c1cc(-c2cc(ns2)C2CC2)c2CCN(Cc3ccnc(c3)C3CC3)Cc2n1
NC(=O)c1cc(-c2ccc(Br)cc2)c2ccccc2n1
NC(=O)c1cc(-c2ccc(Cl)cc2F)c2ccccc2n1
NC(=O)c1cc(-c2ccc(Cl)cn2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
NC(=O)c1cc(-c2ccc(Cl)cn2)c2CCN(Cc3ccnn3C(F)F)Cc2n1
NC(=O)c1cc(-c2ccc(F)c(F)c2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c(cn1)N1CC(C1)Oc1ccc(nc1)C(F)(F)F
NC(=O)c1cc(-c2ccc(F)cc2)c(cn1)N1CC(C1)Oc1cccnc1
NC(=O)c1cc(-c2ccc(F)cc2)c(cn1)N1CCC(C1)Oc1ccnc(c1)C(F)(F)F
NC(=O)c1cc(-c2ccc(F)cc2)c(cn1)N1CCC(CC1)Oc1ccc(nc1)C(F)(F)F
NC(=O)c1cc(-c2ccc(F)cc2)c(cn1)N1CCC(CC1)Oc1cccnc1
NC(=O)c1cc(-c2ccc(F)cc2)c(cn1)N1CCC(CC1)Oc1ccnc(c1)C(F)(F)F
NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(CCc3cccnc3N)Cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@H]3CCN[C@H](C3)C(F)(F)F)Cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@@H]3CCN[C@@H](C3)C(F)(F)F)Cc2n1 |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@H]3CCO[C@H](C3)C3CC3)Cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@@H]3CCO[C@@H](C3)C3CC3)Cc2n1 |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc2n1)C(c1cccnc1)C(F)(F)F
NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc3ccccc3C(N)=O)Cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2CC[C@@H](COC(F)F)Oc2n1 |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2CC[C@H](COC(F)F)Oc2n1 |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2cc(F)c(CN3C(=O)CCC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cccnc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CC4(CCCC4)C3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CNC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(O)(O)CC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(O)CC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC4(CCOC4)CC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C3)n3cncn3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCS3(=O)=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCS3(=O)=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC[C@H]3C#N)cc2n1 |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN4CCC[C@@H]4C3)cc2n1 |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(=O)C3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C3)C(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C3)C3CC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(CF)C3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOCC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCS(=O)(=O)CC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC[C@@H](F)C3)cc2n1 |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCn4cc(nc4C3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccc(CO)nc3)c(F)c2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccc(nc3)C#N)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(nc3)C3CC3)c(F)c2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(CC(F)(F)F)nc4ccccc34)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)-c3ccccn3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)-c3cccnc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)C3CC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)C3CCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)C3CCCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)S(O)(=O)=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(cn3)C(=O)C3CC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(cn3)C(O)C3CC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(cn3)C(O)C3CCCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(nn3)C(O)=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3Cl)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc(Br)c3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc34)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4cccnc34)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ncccc34)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(cc2n1)C(=O)N1CCCC1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(cc2n1)C(=O)N1CCCCC1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(cc2n1)C(=O)N1CCOCC1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(cc2n1)C(O)Cc1cccnc1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(cc2n1)[C@@H](O)Cc1ccc(Cl)nc1 |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(cc2n1)[C@H](O)Cc1ccc(Cl)nc1 |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2cccc(F)c2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCC(F)(F)CC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCCCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCOCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCSCC3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(Cl)nc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(F)cc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(F)nc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(nc3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccnc(c3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3cncnc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3cccnc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3ccnc(c3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3ccncc3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccc(nc3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(Br)c3)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(c3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccc(CN3C(=O)CCC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccccc2n1
NC(=O)c1cc(-c2ccc(F)cc2F)n2nc(COc3ccnc(c3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2ccc(OC(F)F)cc2)c2ccccc2n1
NC(=O)c1cc(-c2cccc(c2)C(F)(F)F)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
NC(=O)c1cc(-c2ccccc2Br)c2ccccc2n1
NC(=O)c1cc(-c2cn[nH]c2)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2cn[nH]c2)c2ccc(CN3CCO[C@H](C3)C(F)(F)F)cc2n1 |r|
NC(=O)c1cc(-c2cnc(s2)C(F)F)c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1
NC(=O)c1cc(-c2cnc(s2)C2CC2)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2cnn(CC(F)(F)F)c2)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C3)C(F)(F)F)cc2n1 |r|
NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@H](C3)C(F)(F)F)cc2n1 |r|
NC(=O)c1cc(-c2cnn(c2)-c2ccccc2)c2ccccc2n1
NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CC3CC[C@H](O3)c2n1 |r|
NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1
NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CCN(Cc3ccnc(c3)C3CC3)Cc2n1
NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CC[C@@H](COC(F)F)Oc2n1 |r|
NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CC[C@H](COC(F)F)Oc2n1 |r|
NC(=O)c1cc(-c2cnn(c2)C(F)F)c2C[C@@H]3CC[C@@H](O3)c2n1 |r|
NC(=O)c1cc(-c2cnn(c2)C(F)F)c2C[C@H]3CC[C@H](O3)c2n1 |r|
NC(=O)c1cc(-c2cnn(c2)C(F)F)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
NC(=O)c1cc(-c2cnn(c2)C2CC2)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
NC(=O)c1cc(C2=CCC3(CC3)CC2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1 |t:6|
NC(=O)c1cc(C2=CCCC2)c2ccccc2n1 |t:6|
NC(=O)c1cc(C2=CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1 |t:6|
NC(=O)c1cc(C2CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1
NC(=O)c1cc(N2CCC(F)(F)CC2)c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1
NC(=O)c1cc(N2CCC(F)(F)CC2)c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1
NC(=O)c1cc(N2CCC3(CC3)CC2)c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1
NC(=O)c1cc(N2CCC3(CC3)CC2)c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1
NC(=O)c1cc(N2CCCC(F)C2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
NC(=O)c1cc(N2CCCC3(CC3)C2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
NC(=O)c1cc(c(COc2cc(F)cc(F)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(COc2ccc(nc2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(COc2ccnc(c2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(NCC2CCOCC2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(NCCCN2CCOCC2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(NCCN2CCOCC2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OC2CCN(C2)c2ccnc(c2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OC2CCN(CC2)c2ccnc(c2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OC2CN(C2)c2ccnc(c2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCCN2CCC(F)(F)CC2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCCN2CCOCC2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCCOc2ccc(nc2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCCOc2cccnc2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCCOc2ccnc(c2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCN2CCOCC2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOCc2ccccc2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cc(Br)ccc2F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cc(F)cc(Br)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cc(F)cc(F)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cc(F)cc(c2)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cc(ccc2F)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2ccc(F)c(Br)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2ccc(F)c(c2)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2ccc(F)cc2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2ccc(F)nc2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2ccc(nc2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cccc(Br)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cccc(Br)c2F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cccc(C#N)c2F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cccc(F)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cccc(c2)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2ccccc2Br)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2ccccc2F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cccnc2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2ccnc(F)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2ccnc(c2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cncc(Br)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cncc(F)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCCOc2cncc(c2)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cc(Br)ccc2F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cc(F)cc(Br)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cc(F)cc(F)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cc(F)cc(F)c2)cn1)-c1ccc(nc1)C(F)(F)F
NC(=O)c1cc(c(OCc2cc(F)cc(c2)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cc(ccc2F)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2ccc(Br)cc2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2ccc(Cl)nc2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2ccc(F)c(c2)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2ccc(nc2)C(F)(F)F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2ccc3nccn3c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cccc(Br)c2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cccc(Br)c2F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cccc(C#N)c2F)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cccc(c2)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2ccccc2Br)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2ccccc2C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cccnc2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cccnc2)cn1)-c1ccc(nc1)C(F)(F)F
NC(=O)c1cc(c(OCc2cccnn2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2ccncc2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cncc(c2)C#N)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c(OCc2cncs2)cn1)-c1ccc(F)cc1
NC(=O)c1cc(c2CCN(CC(=O)N3CCOCC3)Cc2n1)-c1ccc(F)cc1F
NC(=O)c1cc(c2CCN(CC(O)c3ccccc3)Cc2n1)-c1ccc(F)cc1F
NC(=O)c1cc(c2CCN(CC3CCOC(C3)C3CCC3)Cc2n1)-c1ccc(F)cc1F
NC(=O)c1cc(c2CCN(Cc2n1)C(CO)c1ccccc1)-c1ccc(F)cc1F
NC(=O)c1cc(c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1)-c1c(F)cc(F)cc1F |(8,3.08,;6.67,3.85,;6.67,5.39,;5.33,3.08,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-6.67,3.85,;-8,3.08,;-8,4.62,;-6.67,5.39,;1.33,3.85,;2.67,3.08,;4,3.85,;4,-.77,;2.67,-1.54,;1.33,-.77,;2.67,-3.08,;4,-3.85,;4,-5.39,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,)|
NC(=O)c1cc(c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1)-c1ccc(Cl)cc1F
NC(=O)c1cc(c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1)-c1ccc(F)cc1F
NC(=O)c1cc(c2CCN(Cc3cccnc3)Cc2n1)-c1ccc(Cl)cc1F
NC(=O)c1cc(c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1)-c1ccc(F)cc1Cl
NC(=O)c1cc(c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1)-n1cc(cn1)C#N
NC(=O)c1cc(c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1)-n1cc(cn1)C(F)(F)F
NC(=O)c1cc(c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1)-n1ccc(n1)C(F)(F)F
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cc(Cl)cc1F |(-8,-3.08,;-6.67,-3.85,;-6.67,-5.39,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;4,-3.85,;6.67,-3.85,;8,-3.08,;6.67,-5.39,;8,-4.62,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;-4,.77,;-5.33,1.54,;-6.67,.77,;-5.33,3.08,;-4,3.85,;-4,5.39,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,)|
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cc(F)cc1F |(-8,-3.08,;-6.67,-3.85,;-6.67,-5.39,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;4,-3.85,;6.67,-3.85,;8,-3.08,;6.67,-5.39,;8,-4.62,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;-4,.77,;-5.33,1.54,;-6.67,.77,;-5.33,3.08,;-4,3.85,;-4,5.39,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,)|
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cccc1Cl |(-8,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-5.33,-2.31,;-5.33,-.77,;-4,,;-2.67,-.77,;-1.33,,;,-.77,;,-2.31,;1.33,-3.08,;2.67,-2.31,;2.67,-.77,;4,,;5.33,-.77,;5.33,-2.31,;4,-3.08,;6.67,-3.08,;8,-2.31,;6.67,-4.62,;8,-3.85,;-1.33,-3.08,;-2.67,-2.31,;-4,-3.08,;-4,1.54,;-5.33,2.31,;-6.67,1.54,;-5.33,3.85,;-4,4.62,;-2.67,3.85,;-2.67,2.31,;-1.33,1.54,)|
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cccc1F |(8,2.31,;6.67,3.08,;6.67,4.62,;5.33,2.31,;5.33,.77,;4,,;2.67,.77,;1.33,,;,.77,;,2.31,;-1.33,3.08,;-2.67,2.31,;-2.67,.77,;-4,,;-5.33,.77,;-5.33,2.31,;-4,3.08,;-6.67,3.08,;-6.67,4.62,;-8,2.31,;-5.33,3.85,;1.33,3.08,;2.67,2.31,;4,3.08,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;5.33,-3.85,;4,-4.62,;2.67,-3.85,;2.67,-2.31,;1.33,-1.54,)|
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1cc(F)ccc1F
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccc(Cl)cc1F
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccc(F)cc1Cl
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccccc1Cl
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccccc1F
NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-n1cc(Cl)cn1
NC(=O)c1cc(c2CCN(Cc3ccnn3C(F)F)Cc2n1)-c1c(F)cc(Cl)cc1F |(6.52,3.08,;5.19,3.85,;5.19,5.39,;3.85,3.08,;3.85,1.54,;2.52,.77,;1.18,1.54,;-.15,.77,;-1.48,1.54,;-1.48,3.08,;-2.82,3.85,;-4.15,3.08,;-5.61,3.56,;-6.52,2.31,;-5.61,1.06,;-4.15,1.54,;-3.06,.45,;-3.46,-1.04,;-1.57,.85,;-.15,3.85,;1.18,3.08,;2.52,3.85,;2.52,-.77,;1.18,-1.54,;-.15,-.77,;1.18,-3.08,;2.52,-3.85,;2.52,-5.39,;3.85,-3.08,;3.85,-1.54,;5.19,-.77,)|
NC(=O)c1cc(c2CCN(Cc3ncon3)Cc2n1)-c1ccc(Cl)cc1F
NC(=O)c1cc(c2CCOCc2n1)-c1ccc(F)cc1F
NC(=O)c1cc(c2CC[C@@H](CC(F)(F)F)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@@H](CF)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@@H](CNCC(F)(F)F)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@@H](CO)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@@H](COC(F)F)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@@H](Oc2n1)C(F)F)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@@H](Oc2n1)C1CC1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@H](CC(F)(F)F)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@H](CF)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@H](CNCC(F)(F)F)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@H](CO)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@H](COC(F)F)Oc2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@H](Oc2n1)C(F)F)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2CC[C@H](Oc2n1)C1CC1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2C[C@@H]3CC[C@@H](O3)c2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2C[C@@H]3CC[C@@H](O3)c2n1)-c1ncc(Cl)cc1F |r|
NC(=O)c1cc(c2C[C@@H]3CC[C@@H](O3)c2n1)-c1ncc(F)cc1F |r|
NC(=O)c1cc(c2C[C@H]3CC[C@H](O3)c2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2C[C@H]3CC[C@H](O3)c2n1)-c1ncc(Cl)cc1F |r|
NC(=O)c1cc(c2C[C@H]3CC[C@H](O3)c2n1)-c1ncc(F)cc1F |r|
NC(=O)c1cc(c2[C@@H]3CC[C@@H](O3)c2n1)-c1ccc(Cl)cc1F |r|
NC(=O)c1cc(c2[C@@H]3CC[C@@H](O3)c2n1)-c1ccc(F)cc1F |r|
NC(=O)c1cc(c2[C@H]3CC[C@H](O3)c2n1)-c1ccc(Cl)cc1F |r|
NC(=O)c1cc(c2[C@H]3CC[C@H](O3)c2n1)-c1ccc(F)cc1F |r|
NC(=O)c1ccc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)cc1
NC(=O)c1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
NC(=O)c1cccc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)c1
NC(=O)c1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
NC(=O)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:10|
NC(=O)c1nc(-c2ccc(F)cc2)c2ccccc2n1
NC(C(O)=O)c1cc(=O)[nH]o1
NC(C(O)=O)c1ccc(C(O)=O)c(O)c1
NC(C(O)=O)c1ccc(cc1)C(O)=O
NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
NC(C(O)=O)c1cccc(O)c1
NC(C(O)=O)c1cnn(O)c1-c1ccccc1 |w:1.0|
NC(C(O)=O)c1cnn(O)c1Br |w:1.0|
NC(C(O)=O)c1cnn(O)c1C(c1ccccc1)c1ccccc1 |w:1.0|
NC(C(O)=O)c1cnn(O)c1CC1CC1 |w:1.0|
NC(C(O)=O)c1cnn(O)c1CC1CCCCC1 |w:1.0|
NC(C(O)=O)c1cnn(O)c1CCCc1ccccc1 |w:1.0|
NC(C(O)=O)c1cnn(O)c1CCc1ccccc1 |w:1.0|
NC(C(O)=O)c1cnn(O)c1Cc1ccccc1 |w:1.0|
NC(CC1CC(=NO1)C(O)=O)C(O)=O |c:5|
NC(CC1CCCCC1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
NC(CC1c2ccccc2Oc2ccccc12)(C1CC1(F)C(O)=O)C(O)=O |w:17.20,19.23,1.0|
NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
NC(CCC([O-])=O)C([O-])=O
NC(CCC12CC3CC(CC(C3)C1)C2)([C@H]1C[C@@H]1C(O)=O)C(O)=O |TLB:11:10:13:6.5.7,11:6:13:10.12.9,THB:9:10:5:8.13.7,9:8:5:10.12.11|
NC(CCCCC(O)=O)C(O)=O
NC(CCCCCC(O)=O)C(O)=O
NC(CCCCc1ccccc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
NC(CCCc1ccccc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
NC(CCP(O)(O)=O)C(O)=O
NC(CCc1cccc(c1)C(O)=O)([C@H]1C[C@@H]1C(O)=O)C(O)=O
NC(CCc1cccc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
NC(CCc1ccccc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
NC(CCc1ccsc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
NC(CP(O)(O)=O)C(O)=O
NC(CS(O)(=O)=O)C(O)=O
NC(CS(O)=O)C(O)=O
NC(Cn1cnc2c1[nH]c(=O)[nH]c2=O)(C1CC1C(O)=O)C(O)=O
NC([C@@H]1[C@@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(N)=O |r|
NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
NC([C@H]1[C@@H](CC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
NC([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@H]1[C@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC1(C2CCC1C(C2)C(O)=O)C(O)=O |TLB:0:1:6.7:4.3,THB:11:1:6.7:4.3,8:6:1:4.3|
NC1(CC1(F)CP(O)(O)=O)C(O)=O
NC1(CC2ON=C(C2C1)C(O)=O)C(O)=O |c:5|
NC1(CC=C(C1)P(O)(O)=O)C(O)=O |c:3|
NC1(CCC(=C1)P(O)(O)=O)C(O)=O |c:4|
NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
NC1(CCc2cc(ccc12)P(O)(O)=O)C(O)=O
NC1(C[C@@H]([C@H](C1)C(O)=O)C(O)=O)C(O)=O
NC1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC1
NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
NCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
NN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
NS(=O)(=O)c1cccc(c1)-c1cn(cn1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
N[C@@H](C(O)=O)C12CC(C1)(C2)C(O)=O
N[C@@H](C(O)=O)c1cc(O)cc(O)c1 |r|
N[C@@H](C(O)=O)c1ccc(O)c(c1)C(O)=O |r|
N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
N[C@@H](C(O)=O)c1cccc(O)c1 |r|
N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
N[C@@H](CC(=C)C(O)=O)C(O)=O
N[C@@H](CC(C(O)=O)C(O)=O)C(O)=O
N[C@@H](CC(CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
N[C@@H](CC(O)=O)C(O)=O
N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
N[C@@H](CCC(O)=O)C(O)=O
N[C@@H](CCCC(O)=O)C(O)=O
N[C@@H](CCCP(O)(O)=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)CC(Cl)C(O)=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)CC(O)=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)CCC(O)=O)C(O)=O |r|
N[C@@H](CCP(O)(O)=O)C(O)=O |r|
N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@@H](CCc1ns[nH]c1=O)C(O)=O
N[C@@H](CCn1oc(=O)[nH]c1=O)C(O)=O
N[C@@H](C[C@@H](CC(O)=O)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC(=O)NO)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC(N)=O)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
N[C@@H](Cc1cn(CC(O)=O)nn1)C(O)=O |r|
N[C@@H](Cc1cn(nn1)[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r|
N[C@@H](Cc1cnnn1CC(O)=O)C(O)=O |r|
N[C@@H](Cc1cnnn1[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r|
N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
N[C@@H](Cn1cc(nn1)C(O)=O)C(O)=O |r|
N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
N[C@@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O
N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@@H]1[C@@H](C(O)=O)C1(F)F)C(O)=O
N[C@@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r|
N[C@@H]([C@H]1[C@@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r|
N[C@@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O |r|
N[C@@](CC(c1ccccc1)c1ccccc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@]1(F)C(O)=O)C(O)=O
N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O
N[C@@]1(CC[C@@H](C1)C(O)=O)C(O)=O
N[C@@]1(CC[C@H](C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(C1)C(C(O)=O)c1ccccc1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(C1)C(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O |r|
N[C@@]1(C[C@@H](N(CC(O)=O)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CC2CCCCC2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CCC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CCCc2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CCc2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2c(Cl)cccc2Cl)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2Cl)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(O)cc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(cc2)-c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(cc2)C(O)=O)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(cc2)[N+]([O-])=O)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc3ccccc3c2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2cccc(Cl)c2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2cccc(O)c2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2cccc(c2)[N+]([O-])=O)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2cccc3ccccc23)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2-c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2Br)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2C#Cc2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2C(O)=O)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2Cl)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2O)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2[N+]([O-])=O)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccn2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
N[C@@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|
N[C@@]1([C@H]2[C@@H](CC1(F)F)[C@@H]2C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@@H]1O)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1F)[C@@H]2C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1O)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccccc1)c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OC1CCCC1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCC=C)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCCCc1ccccc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1c(Cl)cccc1Cl)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1c(F)c(F)c(F)c(F)c1F)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1c(F)cccc1F)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(Cl)c(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(Cl)cc(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(Cl)ccc1Cl)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(F)cc(F)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(F)ccc1F)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc[nH]c(=O)c1)[C@]2(F)C(O)=O)C(O)=O |r|
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(F)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)cc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)cc1Cl)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)cn1)[C@]2(F)C(O)=O)C(O)=O |r|
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)nc1)[C@]2(F)C(O)=O)C(O)=O |r|
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)c(F)c1)[C@@H]2C(O)=O)C(O)=O |r|
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)c(F)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)cc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)cc1F)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(cc1)-c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(cc1)C(F)(F)F)[C@]2(F)C(O)=O)C(O)=O |r|
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc3ccccc3c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Br)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Cl)c1Cl)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Cl)n1)[C@]2(F)C(O)=O)C(O)=O |r|
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(F)c1)[C@]2(F)C(O)=O)C(O)=O |r|
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(F)c1F)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Oc3ccccc3)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)-c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)C#N)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)C(F)(F)F)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)C(O)=O)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)[N+]([O-])=O)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc3ccccc13)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccccc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccccc1-c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccccc1Cl)[C@]2(F)C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccs1)[C@]2(F)C(O)=O)C(O)=O
N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O |r,wD:1.0,(-9.37,16.3,;-10.74,15.01,;-10.16,13.1,;-10.55,11.61,;-8.66,13.5,;-12.33,15.27,;-13.66,14.5,;-14.05,15.98,;-12.72,16.76,;-13.49,18.08,;-13.48,16.44,;-14.82,15.77,;-14.82,17.31,;-15.9,18.41,;-15.51,19.89,;-17.4,18.02,)|
N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
N[C@H](C(O)=O)c1cc(=O)[nH]o1
N[C@H](C(O)=O)c1cc(O)cc(O)c1
N[C@H](C(O)=O)c1ccc(C(O)=O)c(O)c1
N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O
N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O
N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
N[C@H](C(O)=O)c1cccc(O)c1
N[C@H](CC(O)=O)C(O)=O
N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
N[C@H](CCC(O)=O)C(O)=O
N[C@H](CCCC(O)=O)C(O)=O |r|
N[C@H](CCc1ns[nH]c1=O)C(O)=O
N[C@H](Cc1cc(=O)[nH]o1)C(O)=O
N[C@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
N[C@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
N[C@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@@H]1[C@H](O)[C@H]1C(O)=O)C(O)=O
N[C@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O |r|
N[C@](CC1CCC1)(C1C[C@@H]1C(O)=O)C(O)=O
N[C@](CC1c2ccccc2Oc2ccccc12)([C@@H]1C[C@@]1(F)C(O)=O)C(O)=O
N[C@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
N[C@](CCC(c1ccccc1)c1ccccc1)(C1C[C@@H]1C(O)=O)C(O)=O
N[C@](CCc1ccc(F)cc1)(C1C[C@@H]1C(O)=O)C(O)=O
N[C@](CCc1cccc(Cl)c1)(C1C[C@@H]1C(O)=O)C(O)=O
N[C@](CCc1cccc(O)c1)(C1C[C@@H]1C(O)=O)C(O)=O
N[C@](CCc1cccc(c1)C(F)(F)F)(C1C[C@@H]1C(O)=O)C(O)=O
N[C@](Cc1ccccc1)(C1C[C@@H]1C(O)=O)C(O)=O
N[C@]1(CC(=C)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
N[C@]1(CC(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(CC(O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
N[C@]1(CCC2C[C@@H](C12)C(O)=O)C(O)=O
N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
N[C@]1(CC[C@@H](CC(O)=O)C1)C(O)=O
N[C@]1(CC[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O
N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
N[C@]1(CS(=O)(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(CS(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O
N[C@]1(CS[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
N[C@]1(C[C@@H](F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(C[C@@H](N=[N+]=[N-])[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(C[C@@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
N[C@]1(C[C@H](N=[N+]=[N-])[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(C[C@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(C[C@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O
N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
N[C@]1([C@@H]2[C@H](C[C@@H]1OCc1ccc(Cl)c(Cl)c1)[C@@]2(F)C(O)=O)C(O)=O
N[C@]1([C@H]2[C@@H](C[C@H]1F)[C@@H]2C(O)=O)C(O)=O
Nc1ccc(CN2C[C@](N)(C[C@@H]2C(O)=O)C(O)=O)cc1
Nc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
Nc1cccc(CC[C@@](N)(C2C[C@@H]2C(O)=O)C(O)=O)c1
Nc1cccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)c1
Nc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
Nc1cccc(c1)-c1cn(cn1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
Nc1ccccc1CN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
O=C(C1CCC1)N1CCCC2(CCCCC2)C1
O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
O=C(N1CCOCC1)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:16|
O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1
O=C1CC(=Nc2cc(N3CCOCC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
O=C1CC(=Nc2cc(N3CCS(=O)(=O)CC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
O=C1CC(=Nc2cc(N3CCS(=O)CC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
O=C1CC(=Nc2cc(N3CCSCC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
O=C1CC(=Nc2cc(OCC#N)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)-n1ccnc1 |c:3|
O=C1CC(=Nc2cc(OCC#N)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
O=C1CC(=Nc2ccc(cc2N1)-c1ccccc1)c1cccc(c1)-n1ccnc1 |c:3|
O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)-n1ccnc1 |c:3|
O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1ccccc1 |c:3|
O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccn1)c1cccc(c1)C#N |c:3|
O=C1CC(=Nc2ccc(cc2N1)C#Cc1cccs1)c1cccc(c1)C#N |c:3|
O=C1CC(=Nc2ccc(cc2N1)C#Cc1nccs1)c1cccc(c1)C#N |c:3|
O=C1CC(=Nc2ccc(cc2N1)C1CC1)c1cccc(c1)-n1ccnc1 |c:3|
O=C1CCCc2nc(sc12)C#Cc1ccccc1
O=C1CCOc2cc(COc3ccccc3)ccc12
O=C1CCOc2cc(OCc3ccccc3)ccc12
O=C1N(CC2CC2)CCn2c1nc1cccc(-c3ccccc3)c21
O=C1N(CC2CC2)CCn2c1nc1ccccc21
O=C1N(Cc2cc(OCc3cccc(c3)-c3ccccc3)ccc12)C1CCCC1
O=C1NCCn2c1nc1ccccc21
O=C1OC(COc2ccccc2)CN1c1ccccc1
O=C1OC(Cc2ccccc2)CN1c1ccccc1
O=C1OC2(CN1Cc1ccc(OCC3CCCCC3)cc1)CCOCC2
O=C1OCCCN1Cc1ccc(OCC2CCCCC2)cc1
O=C1OCCCN1Cc1ccc(OCc2cccnc2)cc1
O=C1OCCN1Cc1ccc(OCC2CCCCC2)cc1
O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1 |r|
O=S(=O)Nc1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
O=c1c(C#N)c(ccn1CC1CC1)N1CCC(CC1)c1ccccc1
O=c1c(C#N)c(ccn1CC1CCC1)N1CCC(CC1)c1ccccc1
O=c1c(C#N)c(ccn1CCC1CC1)N1CCC(CC1)c1ccccc1
O=c1c(C2CC2)c(ccn1CC1CC1)N1CCC(CC1)c1ccccc1
O=c1cc(OCCOc2ccccc2)ccn1-c1ccc(cc1)C#N
O=c1cc(OCCOc2ccccc2)ccn1-c1cccc(c1)C#N
O=c1cc(OCCOc2ccccc2)ccn1-c1ccccn1
O=c1cc(OCCOc2ccccc2)ccn1-c1ccncc1
O=c1cc(OCCOc2ccccc2)ccn1-c1cncc(c1)C#N
OC(=O)C(NCc1ccccc1)c1cc(=O)[nH]o1
OC(=O)CCP(O)(=O)CCC(=N)C(O)=O
OC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:8|
OC(=O)C[C@H]1CN[C@@H]1C(O)=O
OC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(F)c(F)c3)[C@](NC(=O)OCC=C)([C@H]12)C(O)=O
OC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(F)cc3)[C@](NC(=O)OCC=C)([C@H]12)C(O)=O
OC(=O)[C@H]1CC[C@H]2CN[C@@H]([C@@H]12)C(O)=O
OC(=O)[C@H]1C[C@@H](N1)C(O)=O
OC(=O)c1cc(F)cc(c1)-c1ccc(cc1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(F)cc(c1)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccccc1
OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
OC(=O)c1cc(cc(c1)[N+]([O-])=O)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
OC(=O)c1cc(cc(c1)[N+]([O-])=O)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1Cl)-c1ccc(cc1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(CC4CC4)Cc3c2)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(CCc3c2)C2CCCC2)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CC2)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCC2)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCCC2)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)c2ccccc2)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)on(C2CCCC2)c3=O)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCC2)c3=O)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(CC2CC2)c3=O)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1ccc2C(=O)N(Cc2c1)C1CCCC1
OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1ccc(cc1)-c1csc(n1)-c1ccccc1
OC(=O)c1cc(ccc1F)-c1ccc(cc1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
OC(=O)c1cc(ccc1F)-c1cccc(Nc2nc(cc(n2)C(F)(F)F)-c2ccco2)c1
OC(=O)c1cc(ccc1F)-c1cccc(Oc2nc(cc(n2)C(F)(F)F)-c2ccco2)c1
OC(=O)c1cc(ccc1F)-c1cccc(Sc2nc(cc(n2)C(F)(F)F)-c2ccco2)c1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1cnc(s1)-c1ccccc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(\C=C\c2ccccc2)cc(n1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cc2ccccc2o1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cc2ccccc2s1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(Cl)cc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(Cl)cc1F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc[nH]1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccccc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccccc1F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cccnc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cccnc1F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cccs1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccsc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1nccs1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1sccc1Cl
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nccc(n1)-c1ccoc1
OC(=O)c1cc(ccc1F)-c1ccccc1-c1csc(n1)-c1ccccc1
OC(=O)c1cc(ccc1O)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
OC(=O)c1ccc(Cl)c(c1)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
OC(=O)c1ccc(F)c(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(F)c(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
OC(=O)c1ccc(c(Cl)c1)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
OC(=O)c1ccc(c(Cl)c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(cc1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(cc1Cl)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(s1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cccc(c1)-c1cccc(c1)-c1cc([nH]n1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1cc(sn1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1cn(c(n1)-c1ccccc1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1coc(c1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1coc(n1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cccc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1nc(nn1-c1ccccc1)-c1ccccc1
OC(=O)c1cccc(c1)-c1nc(cs1)-c1cccc(c1)-c1ccccc1
OC(=O)c1ccccc1-c1cccc(c1)-c1csc(n1)-c1ccccc1
OC(=O)c1ccccc1-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
OC(=O)c1ccccc1-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccccc1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
OC1(CCN(CC1)c1ncn2c(CC3CC3)nnc2c1Cl)c1ccc(F)cc1
OCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnc1 |c:7|
OCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)-n1ccnc1 |c:7|
OCCn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccccc1
OCc1cnnn1-c1cccc(c1)C1=Nc2cc(O)c(cc2NC(=O)C1)C#Cc1ccc(F)cc1 |t:15|
ON=Cc1cc(ccc1F)-c1cccc(c1)-c1csc(n1)-c1ccccc1 |w:1.0|
ONC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
OOc1cccc(c1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1 |r,wU:1.0,4.7,(52.8,-12.87,;53.57,-11.55,;54.91,-10.78,;54.92,-9.24,;53.59,-8.48,;52.25,-9.24,;52.24,-10.77,;53.59,-6.94,;54.92,-6.17,;56.26,-6.94,;57.59,-6.17,;57.59,-4.61,;56.25,-3.85,;54.92,-4.62,;53.59,-3.85,;58.92,-3.84,;60.25,-4.61,;61.58,-3.84,;61.58,-2.29,;62.72,-1.26,;64.23,-1.57,;64.71,-3.04,;64.4,-4.54,;65.86,-4.06,;62.09,.15,;60.56,-.02,;60.24,-1.53,;58.91,-2.3,;57.57,-1.53,;57.57,.01,;56.24,-2.31,;56.23,-.76,;54.33,-12.88,;54.33,-14.41,;55.66,-13.65,)|
O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)cnc2c1Cl |r,wU:1.0,wD:4.7,(-11.28,-42.22,;-9.94,-43.02,;-8.59,-42.26,;-7.27,-43.06,;-7.29,-44.6,;-8.64,-45.34,;-9.97,-44.55,;-5.97,-45.38,;-4.63,-44.62,;-4.63,-43.08,;-3.3,-42.31,;-1.97,-43.09,;-1.98,-44.62,;-3.31,-45.39,;-3.31,-46.93,;-.63,-42.31,;.7,-43.09,;2.03,-42.31,;2.04,-40.78,;3.18,-39.75,;4.73,-39.75,;5.53,-38.45,;7.07,-38.49,;4.8,-37.09,;6.29,-37.11,;2.55,-38.35,;1.02,-38.51,;.7,-40.01,;-.63,-40.77,;-1.97,-40,)|
O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl |r,wU:4.7,wD:1.0,(51.9,-27.77,;51.91,-26.23,;53.25,-25.46,;53.26,-23.92,;51.92,-23.16,;50.58,-23.92,;50.58,-25.45,;51.92,-21.62,;53.26,-20.85,;54.59,-21.62,;55.93,-20.85,;55.92,-19.3,;54.59,-18.53,;53.26,-19.3,;51.93,-18.53,;57.25,-18.52,;58.59,-19.29,;59.91,-18.52,;59.91,-16.98,;61.05,-15.94,;62.56,-16.26,;63.04,-17.72,;62.02,-18.87,;64.55,-18.03,;63.44,-19.2,;60.42,-14.54,;58.89,-14.71,;58.58,-16.21,;57.24,-16.99,;55.91,-16.22,)|
O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,wD:1.0,(25.74,-27.82,;25.74,-26.28,;27.08,-25.52,;27.09,-23.97,;25.76,-23.21,;24.42,-23.97,;24.41,-25.5,;25.76,-21.67,;27.09,-20.9,;28.43,-21.67,;29.76,-20.9,;29.76,-19.35,;28.42,-18.59,;27.09,-19.36,;25.76,-18.59,;31.08,-18.58,;32.42,-19.35,;33.75,-18.58,;33.75,-17.03,;34.89,-16,;36.4,-16.31,;36.88,-17.77,;36.57,-19.28,;38.03,-18.8,;34.26,-14.59,;32.73,-14.76,;32.41,-16.27,;31.08,-17.04,;29.74,-16.27,;29.74,-14.73,;28.41,-17.05,;28.4,-15.5,)|
O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1Cl |r,wU:4.7,wD:1.0,(23.64,-13.67,;23.65,-12.13,;24.99,-11.36,;25,-9.82,;23.66,-9.06,;22.33,-9.82,;22.32,-11.35,;23.67,-7.52,;25,-6.75,;26.33,-7.52,;27.67,-6.75,;27.67,-5.2,;26.33,-4.43,;25,-5.2,;23.67,-4.43,;28.99,-4.42,;30.33,-5.19,;31.65,-4.42,;31.66,-2.88,;32.8,-1.84,;34.3,-2.16,;34.78,-3.62,;34.47,-5.12,;35.94,-4.64,;32.16,-.44,;30.63,-.61,;30.32,-2.11,;28.98,-2.88,;27.65,-2.12,)|
O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl |r,wU:4.7,wD:1.0,(6.62,-15.31,;6.63,-13.77,;7.96,-13,;7.97,-11.46,;6.64,-10.7,;5.3,-11.46,;5.3,-12.99,;6.64,-9.16,;7.98,-8.39,;9.31,-9.16,;10.65,-8.39,;10.64,-6.84,;9.31,-6.07,;7.98,-6.84,;6.64,-6.07,;11.97,-6.06,;13.3,-6.83,;14.63,-6.06,;14.63,-4.52,;15.77,-3.48,;17.28,-3.8,;17.76,-5.26,;16.73,-6.41,;19.27,-5.57,;18.15,-6.74,;15.14,-2.08,;13.61,-2.25,;13.3,-3.75,;11.96,-4.53,;10.62,-3.76,)|
O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,wD:1.0,(54.3,-43.98,;54.3,-42.44,;55.64,-41.67,;55.65,-40.12,;54.31,-39.36,;52.98,-40.12,;52.97,-41.66,;54.32,-37.83,;55.65,-37.06,;56.98,-37.83,;58.32,-37.06,;58.32,-35.5,;56.98,-34.74,;55.65,-35.51,;54.32,-34.74,;59.64,-34.73,;60.98,-35.5,;62.31,-34.73,;62.31,-33.19,;63.45,-32.15,;64.95,-32.46,;65.44,-33.93,;65.13,-35.43,;66.59,-34.95,;62.81,-30.75,;61.29,-30.91,;60.97,-32.42,;59.63,-33.19,;58.3,-32.43,;58.29,-30.89,;56.97,-33.2,;56.95,-31.65,)|
O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N |r,wU:1.0,wD:4.7,(14.9,-7.41,;15.73,-6.12,;15.02,-4.75,;15.85,-3.46,;17.39,-3.53,;18.1,-4.89,;17.27,-6.19,;18.21,-2.23,;17.33,-.98,;18.24,.27,;19.7,-.22,;21.04,.54,;22.37,-.25,;22.36,-1.79,;21.02,-2.55,;19.69,-1.76,;23.71,.51,;25.04,-.28,;26.38,.48,;26.39,2.02,;27.55,3.05,;29.09,3.05,;29.89,4.35,;31.43,4.31,;29.16,5.71,;30.65,5.69,;26.93,4.45,;25.4,4.31,;25.07,2.81,;23.73,2.05,;22.4,2.83,;21.08,3.61,)|
O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1Cl |r,wU:1.0,wD:4.7,(14.04,-34.61,;14.86,-33.31,;14.14,-31.95,;14.97,-30.65,;16.51,-30.72,;17.22,-32.08,;16.4,-33.38,;17.33,-29.42,;16.45,-28.16,;17.37,-26.93,;18.83,-27.43,;20.17,-26.68,;21.49,-27.47,;21.47,-29,;20.12,-29.75,;18.81,-28.97,;22.84,-26.72,;24.16,-27.5,;25.5,-26.75,;25.52,-25.22,;26.68,-24.2,;28.23,-24.21,;29.04,-22.9,;30.58,-22.94,;28.3,-21.54,;29.79,-21.55,;26.08,-22.79,;24.55,-22.93,;24.21,-24.43,;22.86,-25.18,;21.54,-24.38,)|
O[C@H]1CC[C@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,1.0,(26.17,-42.93,;26.17,-41.39,;24.84,-40.61,;24.85,-39.08,;26.19,-38.32,;27.52,-39.08,;27.51,-40.62,;26.19,-36.78,;27.52,-36.01,;28.85,-36.78,;30.19,-36.01,;30.19,-34.46,;28.85,-33.69,;27.52,-34.46,;26.19,-33.69,;31.51,-33.68,;32.85,-34.45,;34.18,-33.68,;34.18,-32.14,;35.32,-31.1,;36.82,-31.42,;37.31,-32.88,;37,-34.38,;38.46,-33.9,;34.69,-29.7,;33.16,-29.87,;32.84,-31.37,;31.5,-32.14,;30.17,-31.38,;30.16,-29.84,;28.84,-32.15,;28.82,-30.61,)|
O[C@H]1CC[C@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl |r,wU:4.7,1.0,(6.79,-30.4,;6.8,-28.86,;5.47,-28.08,;5.47,-26.55,;6.81,-25.79,;8.14,-26.55,;8.14,-28.09,;6.81,-24.25,;8.15,-23.48,;9.48,-24.25,;10.82,-23.48,;10.81,-21.93,;9.48,-21.16,;8.15,-21.93,;6.81,-21.16,;12.14,-21.15,;13.47,-21.92,;14.8,-21.15,;14.8,-19.61,;15.94,-18.57,;17.45,-18.89,;17.93,-20.35,;16.91,-21.5,;19.44,-20.66,;18.32,-21.83,;15.31,-17.17,;13.78,-17.34,;13.47,-18.84,;12.13,-19.61,;10.79,-18.85,)|
O\N=C/c1cc(ccc1F)-c1cccc(c1)-c1csc(n1)-c1ccccc1
Oc1cc2N=C(CC(=O)Nc2cc1-c1ccccc1F)c1cccc(c1)-n1ccnc1 |c:4|
Oc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnc1 |c:4|
Oc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnn1 |c:4|
Oc1ccc(cc1)C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
[H][C@@]1(C[C@@H]1C(O)=O)[C@](N)(CC(c1ccccc1)c1ccccc1)C(O)=O
[H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@@]12CC[C@@]([H])(C=C1c1ccc3n(CC(C)(C)C)c(=O)n(C)c3n1)N(C2)C(=O)c1ccon1 |r,c:6|
[H][C@@]12CC[C@@]([H])(CN1C(=O)c1ccon1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|
[H][C@@]12CC[C@@]([H])(CN1C(=O)c1csnn1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|
[H][C@@]12C[C@@H](Cc3ccc(F)c(Cl)c3)[C@@](N)(C(O)=O)[C@]1([H])[C@H]2C(O)=O |r|
[H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|
[H][C@@]12C[C@H](F)[C@@](N)(C(O)=O)[C@]1([H])[C@H]2C(=O)O[C@H](C)OC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C |r|
[H][C@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)C1CCCCC1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)CC1CCCCC1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)CCc1ccccc1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1ccc(Cl)cc1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1ccc(F)cc1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1ccc(O)cc1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1ccc(OC)cc1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1cccc(Cl)c1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1cccc(F)c1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1cccc(O)c1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1cccc(OC)c1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1ccccc1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1ccccc1Cl)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1ccccc1F)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1ccccc1O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1ccccc1OC)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NCc1ccccc1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1c[nH]nn1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(C)[nH]1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(C)C)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc[nH]1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1c[nH]nn1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(C)[nH]1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(C)C)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSC(C)C)[C@H]2O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1cc(Cl)ccc1Cl)[C@@H]2O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@@H]2O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2F)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2N)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2N=[N+]=[N-])C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2NC(=O)OC)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2NC(C)=O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1ncc[nH]1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1ncnn1C)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(F)c1)[C@@H]2O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)cc1)[C@@H]2O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(F)c(C)c1)[C@@H]2O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1cccc(Cl)c1)[C@@H]2O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1cccc(Cl)c1Cl)[C@@H]2O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccccc1)[C@@H]2O)C(O)=O |r|
[NH3+][C@@H](C[C@@H](O)C(O)=O)C([O-])=O
[NH3+][C@@H](C[C@H](O)C(O)=O)C([O-])=O
[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl
[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl
[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl
[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl
[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl
[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl
[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl
[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl
[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl
[O-][N+](=O)c1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
[O-][N+](=O)c1cccc2nc3C(=O)N(CC4CC4)CCn3c12
c1c(noc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
c1cc(co1)-c1nc(nn1-c1ccccc1)-c1cccc(c1)-c1ccccc1
c1ccc(cc1)-c1nc(n[nH]1)-c1cccc(c1)-c1ccccc1
c1ccc(cc1)-c1nc(nn1-c1cccc2ccccc12)-c1cccc(c1)-c1ccccc1
c1ccc(cc1)-c1nc(nn1-c1ccccc1)-c1cccc(c1)-c1ccccc1
c1ccc(cc1)-c1nc(no1)-c1cccc(c1)-c1ccccc1
c1ccc(cc1)-c1nc(ns1)-c1cccc(c1)-c1ccccc1
c1coc(c1)-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
c1csc(c1)-c1nc(nn1-c1ccccc1)-c1cccc(c1)-c1ccccc1
c1oc(nc1-c1cccc(c1)-c1ccccc1)-c1ccccc1
c1sc(nc1-c1cccc(c1)-c1cccc(c1)-c1nn[nH]n1)-c1ccccc1
c1sc(nc1-c1cccc(c1)-c1ccccc1)-c1ccc2ccccc2c1
c1sc(nc1-c1cccc(c1)-c1ccccc1)-c1cccc2ccccc12
c1sc(nc1-c1cccc(c1)-c1ccccc1)-c1ccccc1