1797 SMILES Strings for Mitogen-activated protein kinase 10
Compound Name
SMILES String
Brc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
Brc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Brc1ccc(o1)-c1nn2c(nnc2s1)-c1ccco1
Brc1ccc(o1)C(=O)NCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Brc1ccc(o1)C(=O)Nc1ccccc1N1CCCC1
Brc1ccc(o1)C(=O)Nc1ccccc1N1CCOCC1
Brc1ccc(o1)C(=O)Nc1nccs1
Brc1ccc2N(Cc3ccccc3)C(=O)C(N=O)c2c1
Brc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3cccc4ccccc34)c2c1
Brc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Brc1ccc2nc3CCCCc3n2c1
Brc1ccccc1C(=O)Nc1sc2CCCCc2c1C#N
Brc1ccccc1C(=O)\C=C1/Nc2cc(ccc2NC1=O)C#N
Brc1ccccc1C(=O)\C=C1/Nc2ccccc2NC1=O
Brc1ccccc1CC(=O)Nc1sc2CCCCc2c1C#N
Brc1ccccc1OCc1ccc(o1)C(=O)Nc1cccnc1
Brc1cnc2nc(CNC(=O)c3ccccc3)[nH]c2c1
Brc1csc(NC(=O)CN2C(=O)CCc3ccc(Br)cc23)c1-c1ncn[nH]1
Brc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1ncn[nH]1
Brc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
Brc1csc(NC(=O)CN2C(=O)CCc3cnccc23)c1-c1ncn[nH]1
Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1ncco1
Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nccs1
Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1ncn[nH]1
Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nnc[nH]1
Brc1csc(NC(=O)Cc2cccc3cccnc23)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cc2cccc3ccncc23)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nnc[nH]1
Brc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1
Brc1csc(NC(=O)Cc2cccc3nccn23)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cc2cccc3ncsc23)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cc2ccnc3ccccc23)c1-c1nnc[nH]1
Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1nnc[nH]1
Brc1csc(NC(=O)Cn2c3ccc(Br)cc3ccc2=O)c1-c1nc[nH]n1
Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#C)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nnc[nH]1
Brc1csc(NC(=O)Cn2c3cccnc3ccc2=O)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1nnc[nH]1
Brc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1ncn[nH]1
Brc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1nnc[nH]1
C(Cn1c2ccccc2c2nc3ccccc3nc12)N1CCOCC1
C(N1CCCCC1)c1onc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccccc1
C(Nc1ncnc2n(ncc12)-c1ccccc1)c1ccccc1
C(Nc1ncnc2n(ncc12)-c1ccccc1)c1ccco1
C(Sc1ncnc2c3ccccc3oc12)c1nc2ccccc2[nH]1
C1CC(CCO1)Nc1cc(ccn1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
C1CC(CCO1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
C1CC1c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
C1CCC(CC1)Nc1cc(ccn1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
C1CCC(CC1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
C1CN(CCO1)c1ccc(Nc2cc(ccn2)-c2cc[nH]n2)cc1
C1CN(CCO1)c1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1
C1CN(CCO1)c1nc2ccccc2c2[nH]c3ccccc3c12
C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3ccc(cc3n2)-c2ccccc2)cc1
C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3ccc(cc3n2)-c2cccnc2)cc1
C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3ccc(cc3n2)-c2cn[nH]c2)cc1
C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3ccc(cc3n2)-c2cnoc2)cc1
C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3ccc(cc3n2)N2CCOCC2)cc1
C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4ccccc4)c3n2)cc1
C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4nccs4)c3n2)cc1
C1CNC[C@@H](C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 |r|
C1CNC[C@@H](C1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1 |r|
C1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 |r|
C1COc2cc3c(onc3cc2O1)-c1ccccc1
C1Cc2[nH]nc(c2C1)-c1ccccc1
C1Cc2c([nH]c3ccccc23)-c2n[nH]cc12
C1c2ccccc2-c2n[nH]c3cccc1c23
C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
C=CCn1c(=S)[nH]c2ccccc2c1=O
CC(=C)c1sccc1NC(=O)Cc1ccccc1
CC(=NC1CCCC1)C(C#N)C(N)=O |w:2.2|
CC(=NCc1ccco1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O |w:2.2|
CC(=Nc1ccc(F)cc1)C(C#N)C(N)=O |w:2.2|
CC(=Nc1cccc(F)c1)C(C#N)C(N)=O |w:2.2|
CC(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
CC(=O)N(C(C)=O)c1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
CC(=O)N1CCC(CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
CC(=O)N1CCCCC1C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
CC(=O)N1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
CC(=O)N1CCC[C@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
CC(=O)N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12 |r|
CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(3.73,4.94,;3.72,3.71,;4.78,3.08,;2.38,2.95,;1.05,3.73,;1.06,4.97,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
CC(=O)Nc1cc(N)c(C#N)c(n1)-c1ccccc1
CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
CC(=O)Nc1cc(ccn1)-c1c(nc(SC2CCC(CC2O)C(O)=O)n1C)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(SC2CCC(CC2O)C(O)=O)n1C1CCCCC1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(SC2CCC(CC2O)C(O)=O)n1CC1CCCO1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(SCC(O)=O)n1C)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(SCCC(O)=O)n1C)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CC1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CCC1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CCCC1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CCCCC1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC(O)CO)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CC1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CCCCC1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CCCO1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C\C(O)=O)n1CC1CC1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1c(nc(Sc2cccc(I)n2)n1C1CCCCC1)-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1
CC(=O)Nc1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cnc2cc(F)ccc12
CC(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2ccc(O)cc2)n1
CC(=O)Oc1ccc(cc1)C(=O)Nc1nccs1
CC(=O)c1c(C)[nH]c(C(=O)OCn2nnc3ccccc3c2=O)c1C
CC(=O)c1ccc(NC(=O)C2CC(=NO2)c2ccc(F)cc2)cc1 |c:12|
CC(=O)c1sc(Nc2ccccn2)nc1C
CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)[nH]c(=O)c2c1C
CC(=O)c1sccc1NC(=O)Cc1ccccc1
CC(C(O)=O)n1nc(C)c2sc3ccccc3c2c1=O
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1cnc2cccc(Nc3ccc(Cl)cn3)c2c1
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1cnc2cccc(Nc3ccccn3)c2c1
CC(C)(C)OC(=O)N\C=C1/Nc2ccccc2NC1=O
CC(C)(C)Oc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CC(C)C(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
CC(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
CC(C)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
CC(C)CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
CC(C)CN(CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12)C(=O)CNC(=O)C1COc2ccccc2C1
CC(C)C[C@@H](Nc1ncc2ccc(=O)n(C(C)C)c2n1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|
CC(C)N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
CC(C)N1CC[C@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)ccc12 |r|
CC(C)NC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)[nH]c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;,-.77,;-1.33,-1.54,)|
CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,)|
CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)|
CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCOCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;,-.77,;-1.33,-1.54,)|
CC(C)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
CC(C)Nc1cc(ccn1)-c1nc2ccccc2nc1-c1ccc(F)cc1
CC(C)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
CC(C)Nc1nccc(n1)-c1c(nn2ccccc12)C1CC1
CC(C)OC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12
CC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1
CC(C)Oc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCCn1ccnc1
CC(C)Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
CC(C)c1n[nH]c(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12
CC(C)c1nc2nc(N[C@H]3CC[C@H](O)CC3)ncc2c(=O)[nH]1 |r,wU:9.8,wD:12.12,(5.06,-.92,;4,-1.54,;4,-2.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-4,-7.39,;-5.34,-5.4,;-5.34,-3.86,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,2.77,;2.66,.77,)|
CC(C)c1noc(c1-c1ccncc1)-c1ccc(F)cc1
CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CC(C)n1c2nc(NC3CCOCC3)ncc2ccc1=O
CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O |r,wU:8.7,wD:11.14,(2.4,-3.69,;1.33,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.34,-5.4,;-5.34,-3.86,;-4,-7.7,;-5.33,-8.48,;-6.4,-7.86,;-5.33,-10.02,;-6.66,-10.79,;-6.8,-12.31,;-8.31,-12.63,;-9.08,-11.3,;-8.05,-10.15,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,)|
CC(C)n1c2nc(N[C@H]3CC[C@H](N)CC3)ncc2ccc1=O |r,wU:8.7,wD:11.11,(2.41,-3.7,;1.34,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.01,-6.17,;-4,-7.41,;-5.35,-5.41,;-5.35,-3.86,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,)|
CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O |r,wU:8.7,wD:11.11,(2.41,-3.7,;1.34,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.01,-6.17,;-4,-7.41,;-5.35,-5.41,;-5.35,-3.86,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,)|
CC(C)n1c2nc(ncc2ccc1=O)N1CCC(CO)CC1
CC(C)n1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
CC(C)n1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1Cl
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c2ccccc2c1=O
CC(N=O)c1sccc1NC(=O)Cc1ccccc1
CC(O)CNc1nccc(n1)-n1c(CC#N)cnc1-c1ccc(Cl)c(Cl)c1
CC(O)CNc1nccc(n1)-n1c(CC#N)cnc1-c1ccc(F)c(c1)C(F)(F)F
CC(O)CNc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2OCCOc2c1
CC(O)CNc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2OCOc2c1
CC(O)CNc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2c1
CC(O)CNc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2n1
CC(Sc1ccc2ccccc2n1)C(O)=O
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CC1(C)Cc2c(CO1)c(nc(SCC(=O)c1ccccc1)c2C#N)N1CCOCC1
CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cn[nH]c12
CC1(COC1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccc(Cl)cc1 |c:1|
CC1=NC(=O)NC(C1C(=O)OC1CCCCCCC1)c1ccc(O)cc1 |t:1|
CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CC1CCc2nc(N)c(C#N)c(-c3ccncc3)c2C1
CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1
CC1NC(=O)NC1CCCCCC(=O)Nc1ccc(C)cc1
CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Nc2cc(ccn2)-c2c(nc(SC)n2C)-c2ccc(F)cc2)c(C)c1
CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Nc2cc(ccn2)-c2c(nc(SC)n2C)-c2ccc(F)cc2)cc1
CCC(=O)Nc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
CCC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3cc(ccn3)-c3c(nc(SC)n3C)-c3ccc(F)cc3)cc2)c1C
CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)cc1
CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2cc(ccn2)-c2[nH]c(SC)nc2C)cc1
CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2cc(ccn2)-c2c(nc(SC)n2C)-c2ccc(F)cc2)cc1
CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
CCC(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2cc(ccn2)-c2c(nc(SC)n2C)-c2ccc(F)cc2)c1
CCC(C)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC(OC)OC)-c1ccc(F)cc1
CCC1=NCCc2cc(OC)c(Cl)cc12 |t:2|
CCC1S\C(N(C1=O)c1ccc(F)cc1)=C(/C#N)C(N)=O
CCCC(=O)Nc1cc(C)c2c(n1)c1ccccc1oc2=O
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1
CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1
CCCCC(=O)Nc1ncc(Br)s1
CCCCC(=O)Nc1sc2CCCc2c1C(N)=O
CCCCCCCCCCCc1cc(O)cc(O)c1C(=O)OC(CCC)CCCCCCCc1cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c1 |w:22.22|
CCCN(CCC)c1nccc(n1)C(C#N)c1nc2ccccc2s1
CCCN(CCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1)C(=O)CC
CCCN1Cc2cccc(C(=O)NCc3ccc4OCOc4c3)c2C1=O
CCCN1Cc2cccc(C(=O)NCc3ccccc3)c2C1=O
CCCNc1nccc(n1)-c1c(nc2CC[C@@H](CO)n12)-c1ccc(F)cc1
CCCNc1nccc(n1)-c1c(nc2CC[C@@H](COCc3ccc(OC)cc3)n12)-c1ccc(F)cc1
CCCNc1nccc(n1)-c1c(nc2CC[C@@H](Cc3ccc(OC)cc3)n12)-c1ccc(F)cc1 |r|
CCCNc1nccc(n1)-c1c(nc2CC[C@H](CO)n12)-c1ccc(F)cc1
CCCNc1nccc(n1)-c1c(nc2CC[C@H](COCc3ccc(OC)cc3)n12)-c1ccc(F)cc1
CCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
CCCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1
CCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCCn1ccnc1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCCc1cc(=O)n2c(n1)[nH]c1ccccc21
CCCc1cn(C)nc1-c1ccnc(Nc2ccc(cc2)-n2nc(C)nc2C)c1
CCCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1
CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
CCCn1c(nc(c1-c1ccnc(NC2CC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1
CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1
CCCn1cc(NC(=O)C2CC(=NO2)c2cccc(Br)c2)cn1 |c:11|
CCN(C)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CC)CCNC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
CCN(CC)CCn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
CCN(CC)S(=O)(=O)c1ccc2nc(COC(=O)c3n[nH]c4ccccc34)[nH]c2c1
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1 |r|
CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
CCN1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O
CCN1CCCC1CNC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
CCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1 |r|
CCNC(=O)N1CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|
CCNC(=O)N1CCC(CC1)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C)-c1ccc(F)cc1
CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1cnc2ccccn12
CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCNC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
CCNC(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
CCNC(=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
CCNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
CCOC(=O)C(c1nc2ccccc2s1)c1ccnc(Cl)n1
CCOC(=O)C1=C(C)OC(=N)C(C#N)C1c1cc2ccccc2nc1N1CCCCC1 |c:5|
CCOC(=O)C1CCN(CC1)C(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O
CCOC(=O)CC(=O)CSc1ncnc2c3ccccc3oc12
CCOC(=O)CCC(NC(=O)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1)C(=O)OCC
CCOC(=O)CCCc1sc(N)nc1-c1[nH]c(=O)[nH]c1C
CCOC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCOCC1
CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(=O)NCc1ccco1
CCOC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CCOC(=O)N1CCN(CC1)C(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 |(3.08,-.77,;4.41,-1.54,;5.75,-.77,;7.08,-1.54,;7.08,-3.08,;8.41,-.77,;9.75,-1.54,;11.08,-.77,;11.08,.77,;9.75,1.54,;8.41,.77,;12.42,1.54,;12.42,3.08,;13.75,.77,;15.08,1.54,;16.42,.77,;16.42,-.77,;17.75,-1.54,;19.08,-.77,;19.08,.77,;17.75,1.54,;20.42,1.54,;21.75,.77,;23.13,1.59,;24.52,.8,;24.52,-.8,;23.13,-1.59,;21.75,-.77,;20.42,-1.54,;20.42,-3.08,;15.08,-1.54,;13.75,-.77,)|
CCOC(=O)\C=C/Sc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
CCOC(=O)\C=C\Sc1nc(c(-c2ccnc(NC(C)=O)c2)n1C1CC1)-c1ccc(F)cc1
CCOC(=O)\C=C\Sc1nc(c(-c2ccnc(NC(C)=O)c2)n1CC(OC)OC)-c1ccc(F)cc1
CCOC(=O)\C=C\Sc1nc(c(-c2ccnc(NC(C)=O)c2)n1CC1CC1)-c1ccc(F)cc1
CCOC(=O)c1c(C)[nH]c2ccc(O)cc12
CCOC(=O)c1c(C)[nH]sc1=S
CCOC(=O)c1c(C)nsc1NC(=O)Cc1cccc2ccccc12
CCOC(=O)c1c(CC(C)C)csc1NC(C)=O
CCOC(=O)c1c(N)[nH]nc1-c1ccc(OC)cc1
CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#C
CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#N
CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C(F)(F)F
CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C1CC1
CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1ccccc1
CCOC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1
CCOC(=O)c1ccc2[nH]c3c(CCCCC3=O)c2c1
CCOC(=O)c1cccc2C(N=O)c3ccccc3-c12
CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
CCOC(=O)c1ccccc1NC(=O)COc1ccccc1
CCOC(=O)c1ccccc1NC(=O)CSc1ncc(C(=O)OCC)c(N)n1
CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CCN(C)CC1
CCOC(=O)c1n[nH]c2ccccc12
CCOC(=O)c1sccc1NC(=O)Cc1ccccc1
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
CCOc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccccc1 |t:15|
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1ccc(CC(=O)Nc2c(oc3ccccc23)C(N)=O)cc1OCC
CCOc1ccc(NC(=O)CN2C(=O)C3CCCN3C2=O)cc1
CCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1
CCOc1ccc(c(O)c1)-c1nc(N)ncc1-c1ccccc1
CCOc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccccc1OC
CCOc1ccc(cc1)C(=O)Nc1c(oc2ccccc12)C(N)=O
CCOc1ccc(cc1)C1CC(=O)NC2=C1C(=O)CCC2 |c:15|
CCOc1ccc(cc1C)S(=O)(=O)n1nnc2ccccc12
CCOc1ccc(cc1Cn1nc(C(O)=O)c2ccccc2c1=O)C(C)=O
CCOc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
CCOc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccc(cc2)-n2cnnn2)c1
CCOc1ccccc1NC(=O)COc1cccc(c1)-n1cnnn1
CCOc1ccccc1NC(=O)CSc1nc(N)c(cc1C#N)C#N
CCOc1ccccc1Nc1cc(ccn1)-c1ccnc(Nc2ccccc2OCC)c1
CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1C#N
CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1Cl
CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
CCOc1nc(NC(C)=O)cc(N)c1C#N
CCOc1ncccc1C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)S(=O)(=O)CCO
CC[C@H](C)[C@@H](CO)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCc1cc(=O)oc2cc(C)cc(O)c12
CCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccco3)c12
CCc1cc2c(nc(SCC(=O)C(C#N)C(C)=N)n(CC=C)c2=O)s1
CCc1ccc(cc1)-n1c(SCC(=O)Nc2cc(C)n[nH]2)nc2n[nH]cc2c1=O
CCc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1
CCc1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
CCc1csc(NC(=O)Cc2ccc(OC)cc2)c1C(=O)OC
CCc1n[nH]c(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12
CCc1n[nH]c(n1)-c1sccc1NC(=O)Cc1ccc(OC)cc1
CCn1c(C)cs\c1=N/C(=O)c1ccccc1O
CCn1c(Nc2ccccc2F)nc2cnc(Nc3ccc(OC)cc3)nc12
CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCn1c(nc2ccccc12)C(C)NC(C)=O
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N
CCn1cc(C2=NOC(C2)C(=O)Nc2ccccc2C(=O)OC)c(C)n1 |t:5|
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
CCn1ncc(C2=NOC(C2)C(=O)Nc2ccccc2C(=O)OC)c1C |t:6|
CN(C(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1ccc(C)nc1)c1ccccc1Cl
CN(C)C(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
CN(C)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1ccccc1
CN(C)C=NC(=O)C(C#N)C1=Nc2ccccc2CC1 |w:4.4,t:10|
CN(C)CC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)CC(=O)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N
CN(C)CC(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
CN(C)CCCC(=O)Nc1cc(cc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12)C(O)=O
CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
CN(C)CCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
CN(C)CCCn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccc(cc2ccc1=O)C(F)(F)F
CN(C)CCN(C(=O)Cn1c2ccc(cc2ccc1=O)C(F)(F)F)c1scc(Cl)c1-c1nc[nH]n1
CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12
CN(C)CCNC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
CN(C)CCNC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
CN(C)CCNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12
CN(C)CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
CN(C)CCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
CN(C)CCNc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 |r|
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
CN(C)CCn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
CN(C)CCn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccc(cc2ccc1=O)C(F)(F)F
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
CN(C)C\C=C\C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(C)c(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Oc2nccc(n2)-c2cccnc2)c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
CN(C)c1c(cnn1Cc1ccccc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.26,wD:21.22,(-.4,-38.39,;-1.54,-37.36,;-1.22,-35.86,;-3.01,-37.84,;-4.26,-36.93,;-5.5,-37.84,;-5.03,-39.31,;-3.49,-39.3,;-2.7,-40.63,;-3.46,-41.97,;-5,-41.98,;-5.75,-43.32,;-4.97,-44.65,;-3.42,-44.62,;-2.67,-43.29,;-4.26,-35.39,;-5.59,-34.62,;-5.59,-33.07,;-4.26,-32.3,;-2.92,-33.06,;-1.6,-32.29,;-.26,-33.06,;-.26,-34.6,;1.07,-35.36,;2.4,-34.59,;3.74,-35.36,;2.4,-33.05,;1.07,-32.28,;-2.92,-34.62,)|
CN(C)c1cc(cc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1)C(=O)Nc1cncc(C)c1
CN(C)c1ccc(cc1)-c1cnc2[nH]cc(-c3cn[nH]c3)c2c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
CN(C)c1nccc(n1)C(C#N)c1nc2ccccc2s1
CN(C)c1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
CN(C1CCCCC1)c1nccc(n1)-c1cnc2ccccn12
CN(Cc1ccccc1)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
CN(c1ccc(cc1)C(=O)Nc1nccs1)S(=O)(=O)c1ccccc1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1C=C[N]2=C1C[N]1(CCc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,25,t:23|
CN1CC2(Cc3cc(C)ccc13)C(=O)OC1(CCCCC1)OC2=O
CN1CCC(CC1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
CN1CCC(CNC(=O)c2cc(cs2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)CC1
CN1CCC(CNC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)CC1
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CN1CCCC(C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
CN1CCC[C@H]1CNC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc1 |(-5.07,-9.29,;-3.87,-8.32,;-4.12,-6.8,;-2.92,-5.83,;-1.48,-6.38,;-1.24,-7.9,;-2.43,-8.87,;-.29,-5.41,;1.15,-5.96,;2.35,-4.99,;2.11,-3.47,;3.3,-2.5,;3.06,-.98,;4.25,-.01,;4.01,1.51,;2.57,2.06,;1.38,1.09,;1.62,-.43,;-.06,1.64,;-.3,3.16,;-1.82,3.4,;-2.52,2.03,;-4.01,1.63,;-4.41,.14,;-3.32,-.95,;-1.83,-.55,;-1.43,.94,;.89,4.13,;.65,5.65,;-.79,6.2,;-1.98,5.23,;-1.03,7.72,;.17,8.7,;1.6,8.15,;1.85,6.62,;3.28,6.07,;2.33,3.58,;3.53,4.55,;.67,-2.92,;-.53,-3.89,)|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1
CN1CCN(CC1)c1nccc(n1)C(C#N)c1nc2ccccc2s1
CN1CCN(CC1)c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(F)cc(c2)N2CCOCC2)cc1
CN1CCN(CCCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)CC1
CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CN1CCN(CCCn2cnc(n2)-c2c(Cl)csc2NC(=O)Cn2c3ccc(cc3ccc2=O)C(F)(F)F)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2)-c2csc(N)n2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2C)-c2nnc(C)o2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3c(N)noc3c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3ccncc3c2)CC1
CN1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CC[C@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
CN1CC[C@H](CNC(=O)c2cc(cs2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)C1 |r|
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
CN1\C(Sc2ccccc12)=C(\C#N)c1ccnc(Cl)n1
CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CNC(=O)CN1CCC(CC1)Nc1nccc(n1)-c1cnc2ccccn12
CNC(=O)CN1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CNC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(3.45,3.56,;2.38,2.95,;1.05,3.73,;1.06,4.97,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:4.3,wD:28.29,7.10,(11.28,-17.55,;12.05,-16.21,;13.59,-16.22,;14.36,-17.55,;14.36,-14.88,;13.6,-13.55,;14.36,-12.22,;15.9,-12.22,;16.68,-13.54,;15.9,-14.88,;16.66,-10.88,;18.2,-10.88,;18.96,-9.55,;20.51,-9.54,;21.27,-10.87,;22.77,-11.19,;22.93,-12.71,;24.27,-13.47,;25.6,-12.7,;25.59,-11.17,;24.25,-10.41,;26.91,-10.39,;28.26,-11.16,;29.59,-10.38,;28.26,-12.7,;26.93,-13.47,;26.93,-15.01,;21.54,-13.33,;21.09,-14.81,;19.64,-15.31,;19.67,-16.85,;21.15,-17.3,;22.03,-16.04,;20.51,-12.2,;18.97,-12.2,)|
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)c(C)nc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)c(F)cc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)cnc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)ncc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3OC)c(F)cc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3cccc(OC)c3Cl)c(C)nc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(OC)cc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)cnc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Oc3ccccc3Cl)ccc12
CNC(=O)c1cc(cs1)-n1ncc2nc(Nc3ccccc3Cl)ncc12
CNC(=O)c1ccccc1Nc1cc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
CNC(=O)c1ccccc1Nc1cc(Oc2ccc(OC)cc2)ncc1Cl
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1Cl
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CNC(=O)c1ccsc1NC(=O)c1ccccc1
CNC(=O)c1nc[nH]c1C(=O)Nc1cccc(OC)c1
CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CNCCCN(C)c1nccc(n1)C(C#N)c1nc2ccccc2s1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
CNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
CNc1nccc(n1)C(C#N)c1nc2ccccc2s1
CNc1nccc(n1)C(C#N)c1nc2ccccc2s1 |w:8.9|
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)ccc1C
CNc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
COC(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
COC(=O)N1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O
COC(=O)c1[nH]ncc1NC(=O)Cc1cccc2ccccc12
COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
COC(=O)c1c(C)c(C)sc1NC(=O)Cc1cccs1
COC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OC)cc1
COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCC2)cc1
COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1
COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCn2ccnc2)cc1
COC(=O)c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1
COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cc[nH]c12
COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cnccc12
COC(=O)c1c(C)csc1NC(=O)Cc1cccc2ncccc12
COC(=O)c1c(C)csc1NC(=O)Cc1cccc2nccnc12
COC(=O)c1c(NC(=O)CN2CCOCC2)scc1-c1cccs1
COC(=O)c1c2CCCCc2nc(N)c1C#N
COC(=O)c1cc(Br)c(=O)n(Cc2ccc(OC)c(OC)c2)c1
COC(=O)c1cc(Br)c(=O)n(Cc2ccc(cc2)C(O)=O)c1
COC(=O)c1cc(Br)c(=O)n(Cc2ccc3OCOc3c2)c1
COC(=O)c1cc(Br)c(=O)n(Cc2cccnc2)c1
COC(=O)c1cc(Br)c(=O)n(Cc2ccncc2)c1
COC(=O)c1cc(Br)c(=O)n(c1)-c1nccs1
COC(=O)c1ccc(CN2C(=O)C(N=O)c3ccccc23)o1
COC(=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COC(=O)c1cccc(Cn2nnc3ccccc3c2=O)c1
COC(=O)c1cccc(NC(=O)CN2CCC(CC2)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
COC(=O)c1cccc2C(N=O)c3ccccc3-c12
COC(=O)c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
COC(=O)c1ccccc1NC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:16|
COC(=O)c1ccccc1NC(=O)C1CC(=NO1)c1ccccc1O |c:16|
COC(=O)c1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc12
COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)C(=O)c1ccc2OCCOc2c1
COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)NC(=O)c1ccc(C)cc1
COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)NC(=O)c1ccccc1C
COC(=O)c1ccccc1NC(=O)CN1CCN(CC1)C(=O)c1ccco1
COC(=O)c1ccccc1NC(=O)COC(=O)CSCC(=O)N1CCOCC1
COC(=O)c1ccccc1NC(=O)COC(=O)c1ccco1
COC(=O)c1ccccc1NC(=O)COc1ccccc1
COC(=O)c1ccccc1NC(=O)CSc1ccccn1
COC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1
COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
COC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1
COC(=O)c1ccccc1NC(=O)NCc1cccnc1
COC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
COC(=O)c1cccnc1NC(=O)Cc1cccc2ccccc12
COC(=O)c1ccsc1NC(=O)C1=COCCO1 |t:13|
COC(=O)c1ccsc1NC(=O)C1COc2ccccc2O1
COC(=O)c1ccsc1NC(=O)CN1CCN(CC1)c1ccc(F)cc1
COC(=O)c1cnccc1NC(=O)Cc1cccc2ccccc12
COC(=O)c1cscc1NC(=O)Cc1cccc2ccccc12
COC(=O)c1ncsc1NC(=O)Cc1cccc2cnccc12
COC(=O)c1nnsc1NC(=O)Cc1cccc2ccccc12
COC(=O)c1nonc1NC(=O)Cc1cccc2ccccc12
COC(=O)c1sc(Nc2ccccc2)nc1C
COC(=O)c1sccc1NC(=O)C1CC=CCC1C(O)=O |c:15|
COC(=O)c1sccc1NC(=O)CN1CCN(CC1)c1ccc(F)cc1
COC(=O)c1sccc1NC(=O)Cc1ccc(OC)cc1
COC(=O)c1sccc1NC(=O)Cc1ccc(cc1)-c1ccncc1
COC(=O)c1sccc1NC(=O)Cc1ccc(cc1)-n1ccnc1
COC(=O)c1sccc1NC(=O)Cc1ccc(cc1)C(F)(F)F
COC(=O)c1sccc1NC(=O)Cc1ccc2ccccc2c1
COC(=O)c1sccc1NC(=O)Cc1cccc2ccccc12
COC(=O)c1sccc1NC(=O)Cc1cccc2cnccc12
COC(=O)c1sccc1NC(=O)Cc1cccc2ncccc12
COC(=O)c1sccc1NC(=O)Cc1ccccc1
COC(=O)c1sccc1NC(=O)Cc1ccccc1-c1c[nH]nn1
COC(=O)c1sccc1NC(=O)Cc1cccs1
COC(=O)c1sccc1NC(=O)Cc1ccncc1
COC(=O)c1sccc1NC(=O)c1ccc(Br)o1
COC(=O)c1sccc1NC(=O)c1ccc(OC)cc1
COC(=O)c1sccc1NC(=O)c1ccco1
COC(=O)c1sccc1NC(=O)c1ccncc1
COC(=O)c1sccc1NC(=O)c1csc(C)c1
COC(=O)c1scnc1NC(=O)Cc1cccc2ccccc12
COC(Cn1c(SC2CCC(CC2O)C(O)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1)OC
COC(Cn1c(SCC#N)nc(c1-c1ccnc(F)c1)-c1ccc(F)cc1)OC
COC(Cn1c(SCC#N)nc(c1-c1ccnc(NC2CC2)c1)-c1ccc(F)cc1)OC
COC(Cn1c(SCCC(O)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1)OC
COC(Cn1c(S\C=C/C(O)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1)OC
COC(Cn1c(S\C=C/C(O)=O)nc(c1-c1ccnc(NC2CC2)c1)-c1ccc(F)cc1)OC
COC1(OC)N=C(N)C2(C#N)C(c3ccc4OCOc4c3)C12C#N |t:5|
COC1CCC(CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1 |(21.55,-31.69,;21.56,-30.15,;20.22,-29.37,;18.89,-30.14,;17.56,-29.37,;17.56,-27.83,;18.89,-27.06,;20.23,-27.83,;16.23,-27.06,;16.23,-25.52,;14.9,-27.83,;13.56,-27.06,;13.56,-25.52,;12.23,-24.75,;10.9,-25.51,;10.89,-27.06,;12.23,-27.83,;12.24,-23.21,;13.57,-22.45,;13.58,-20.92,;12.25,-20.13,;10.91,-20.9,;9.58,-20.13,;8.24,-20.9,;8.25,-22.43,;6.91,-23.2,;5.58,-22.43,;5.59,-20.88,;6.92,-20.12,;10.91,-22.44,)|
COC1CCN(CC1)c1nccc(n1)C(C#N)c1nc2ccccc2s1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
COCCC(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
COCCCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
COCCN(C)C(=O)c1sccc1NC(=O)Cc1ccccc1
COCCN1Cc2cccc(C(=O)NCc3ccc4OCOc4c3)c2C1=O
COCCNC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 |(3.08,.77,;4.41,1.54,;5.75,.77,;7.08,1.54,;8.41,.77,;9.75,1.54,;9.75,3.08,;11.08,.77,;12.42,1.54,;13.75,.77,;13.75,-.77,;15.08,-1.54,;16.42,-.77,;16.42,.77,;15.08,1.54,;17.75,1.54,;19.08,.77,;20.46,1.59,;21.86,.8,;21.86,-.8,;20.46,-1.59,;19.08,-.77,;17.75,-1.54,;17.75,-3.08,;12.42,-1.54,;11.08,-.77,)|
COCCNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
COCCNC(=O)c1sccc1NC(=O)Cc1ccccc1
COCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COCc1cc(C)nc(SCC(=O)Nc2cc3OCOc3cc2C#N)c1C#N
COCn1nnnc1-c1ccsc1NC(=O)Cc1ccc(OC)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CO[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1 |wU:5.8,wD:2.1,(7.68,-6.41,;7.68,-4.87,;6.35,-4.1,;6.35,-2.56,;5.02,-1.78,;3.69,-2.55,;3.68,-4.09,;5.01,-4.86,;2.35,-1.78,;2.35,-.24,;1.02,-2.55,;-.31,-1.79,;-.32,-.24,;-1.65,.53,;-2.98,-.23,;-2.99,-1.78,;-1.65,-2.56,;-1.64,2.06,;-.3,2.82,;-.29,4.36,;-1.63,5.14,;-2.97,4.38,;-4.3,5.15,;-5.63,4.38,;-5.63,2.84,;-6.96,2.08,;-8.3,2.85,;-9.63,2.09,;-8.29,4.4,;-6.95,5.16,;-2.97,2.84,)|
CO[C@H]1CC[C@H](CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1 |wU:5.8,2.1,(17.63,-11.64,;17.64,-10.1,;16.3,-9.32,;14.97,-10.09,;13.64,-9.32,;13.64,-7.78,;14.97,-7,;16.31,-7.78,;12.31,-7.01,;12.31,-5.47,;10.98,-7.78,;9.64,-7.01,;9.64,-5.47,;8.31,-4.7,;6.98,-5.46,;6.97,-7.01,;8.31,-7.78,;8.32,-3.16,;9.65,-2.4,;9.66,-.87,;8.33,-.08,;6.99,-.85,;5.66,-.08,;4.32,-.84,;4.33,-2.38,;2.99,-3.15,;1.66,-2.38,;.32,-3.14,;1.67,-.83,;3,-.07,;6.99,-2.39,)|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
COc1c(ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12)-c1cnn(C)c1
COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
COc1cc(CC(=O)Nc2ncc(C)s2)cc(OC)c1OC
COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC
COc1cc(CC(=O)Nc2sccc2C(N)=O)cc(OC)c1OC
COc1cc(CN2C(=O)C(N=O)c3cc(F)ccc23)cc(OC)c1
COc1cc(CN2C(=O)C(N=O)c3ccccc23)cc(OC)c1
COc1cc(CN=C(C)C(C#N)C(N)=O)cc(OC)c1OC |w:6.5|
COc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccc(Cl)cc3)cn2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(c2)-n2ncc3cc(Nc4ccccc4F)ccc23)cc(OC)c1OC
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(O)c2=O
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(OC)c1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1)S(C)(=O)=O
COc1cc(cc(OC)c1OC)C(=O)NCc1cn2ccccc2n1
COc1cc(cc(OC)c1OC)C(=O)NCc1cn2ccsc2n1
COc1cc(cc2c1nc([nH]c2=O)C(N)c1cccc(Cl)c1)-c1cn[nH]c1
COc1cc(cc2c1nc([nH]c2=O)[C@H](N)Cc1cccc(F)c1)-c1cn[nH]c1 |r|
COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
COc1cc(ccc1O)-c1nc2ccccn2c1\N=C\c1c[nH]nc1-c1ccccc1
COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OC1CCCC(C)C1 |t:14|
COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccccc1 |t:14|
COc1cc(ccc1OCC(C)(C)O)-n1ccc(CNc2ccc(Cl)cc2)cc1=O
COc1cc(ccc1OCC(C)(C)O)-n1ccc(SCc2ccc(Cl)cc2)cc1=O
COc1cc(ccc1OCC(C)(C)O)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F
COc1cc(ccc1OCCO)-n1ccc(cc1=O)-c1ccc(OC(F)(F)F)cc1
COc1cc(ccc1OCc1c(C)noc1C)C(=O)Nc1nccs1
COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1 |r|
COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
COc1cc2C(=NCCc2cc1Cl)c1ccc(Cl)c(Cl)c1 |c:5|
COc1cc2C(=NCCc2cc1Cl)c1ccc(F)cc1 |c:5|
COc1cc2C(=NCCc2cc1Cl)c1ccc2ccccc2c1 |c:5|
COc1cc2C(=NCCc2cc1Cl)c1cccc(Br)c1 |c:5|
COc1cc2C(=NCCc2cc1Cl)c1cccc(Cl)c1 |c:5|
COc1cc2C(=NCCc2cc1Cl)c1cccc(F)c1 |c:5|
COc1cc2C(=NCCc2cc1Cl)c1ccccc1 |c:5|
COc1cc2CCN=C(Cc3ccccc3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1OC |t:7|
COc1cc2CCN=C(c3ccc(Cl)cc3)c2cc1OC |t:7|
COc1cc2CCN=C(c3ccc(F)cc3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3ccc4ccccc4c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3cccc(Br)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3cccc(C)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1OC |t:7|
COc1cc2CCN=C(c3cccc(Cl)c3F)c2cc1Cl |t:7|
COc1cc2CCN=C(c3cccc(F)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3ccccc3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3ccccc3)c2cc1OC |t:7|
COc1cc2c(C[C@@H]3c4cc(O)c(O)cc4C[C@H]4c5cc(O)c(O)cc5CC[N@@+]234)cc1O |r|
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2nc(C3CCC3)n(NC(=O)COc3ccccc3)c(=O)c2cc1OC
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1ccc(C=Nn2c(N)nc3ccccc23)cc1OC |w:7.7|
COc1ccc(CC(=O)Nc2cc(C)ccn2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2c[nH]c(C)n2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2c[nH]cn2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2cn(C)cn2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2cnccn2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nc(C)n[nH]2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nc(N)n[nH]2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)-c2ccncc2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C(C)(C)C)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C(F)(F)F)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C2CC2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C2CCCO2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2ncn[nH]2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nnc(C)o2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nnc(N)[nH]2)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1
COc1ccc(CC(=O)Nc2ccsc2-c2nnc(o2)C(C)C)cc1
COc1ccc(CC(=O)Nc2ccsc2-n2cc(C)cn2)cc1
COc1ccc(CC(=O)Nc2ccsc2-n2cccn2)cc1
COc1ccc(CC(=O)Nc2ccsc2-n2cncn2)cc1
COc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1
COc1ccc(CC(=O)Nc2ccsc2N2CCOC2=O)cc1
COc1ccc(CC(=O)Nc2nc(C)cs2)cc1OC
COc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1
COc1ccc(CC(=O)Nc2scc(C)c2-c2nc(C)n[nH]2)cc1
COc1ccc(CC(=O)Nc2scc(C)c2-c2nnc(C)[nH]2)cc1
COc1ccc(CC(=O)Nc2sccc2-c2nn[nH]n2)cc1
COc1ccc(CC(=O)Nc2sccc2-c2nnn(C)n2)cc1
COc1ccc(CC(=O)Nc2sccc2-c2noc(C)n2)cc1
COc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
COc1ccc(CN2C(=O)C(N=O)c3cc(F)ccc23)cc1
COc1ccc(CN=C(C)C(C#N)C(N)=O)cc1OC |w:7.6|
COc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1
COc1ccc(CNC(=O)c2cnn3c(cc(C)nc23)C(F)F)cc1OC
COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(O)c(OC)c2)cc1 |c:15|
COc1ccc(COC(=O)c2n[nH]c3ccccc23)cc1F
COc1ccc(COC[C@@H]2CCc3nc(c(-c4ccnc(N)n4)n23)-c2ccc(F)cc2)cc1
COc1ccc(COC[C@H]2CCc3nc(c(-c4ccnc(N)n4)n23)-c2ccc(F)cc2)cc1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1 |r|
COc1ccc(Cl)cc1-c1nnc(S)o1
COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
COc1ccc(NC(=O)C2CC(=NO2)c2ccc(OC)c(OC)c2)cc1OC |c:11|
COc1ccc(NC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1
COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Nc4ccc(F)cc4F)n(C4CCCC4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Nc4ccccc4Cl)n(C4CCCC4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(-c4ccccc4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCCC4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCOCC4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@@H](CC4)C(N)=O)c3n2)cc1 |r,wU:22.22,25.29,(14.63,-45.79,;16.17,-45.79,;16.94,-44.45,;16.17,-43.11,;16.94,-41.78,;18.48,-41.79,;19.25,-40.45,;20.79,-40.45,;21.56,-39.12,;23.09,-39.12,;23.86,-40.45,;25.36,-40.76,;25.52,-42.29,;26.85,-43.06,;28.19,-42.29,;29.52,-43.07,;30.86,-42.29,;30.85,-40.74,;29.52,-39.98,;28.19,-40.75,;26.85,-39.98,;24.11,-42.92,;24.11,-44.46,;22.77,-45.21,;22.77,-46.74,;24.09,-47.52,;25.43,-46.76,;25.44,-45.22,;24.08,-49.06,;25.41,-49.84,;22.74,-49.83,;23.08,-41.77,;21.56,-41.77,;19.25,-43.11,;18.49,-44.44,)|
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:22.22,25.26,(4.81,-38.68,;6.35,-38.68,;7.12,-37.34,;6.35,-36.01,;7.12,-34.67,;8.66,-34.68,;9.43,-33.35,;10.97,-33.34,;11.74,-32.01,;13.27,-32.01,;14.04,-33.34,;15.54,-33.66,;15.7,-35.19,;17.03,-35.96,;18.37,-35.19,;19.7,-35.96,;21.04,-35.19,;21.04,-33.64,;19.7,-32.87,;18.37,-33.64,;17.03,-32.87,;14.29,-35.82,;14.29,-37.35,;12.95,-38.11,;12.94,-39.64,;14.27,-40.42,;14.26,-41.96,;15.61,-39.66,;15.62,-38.11,;13.26,-34.67,;11.74,-34.67,;9.43,-36,;8.67,-37.34,)|
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@H]4CC[C@H](N)CC4)c3n2)cc1 |r,wU:22.22,wD:25.26,(-13.48,-37.94,;-11.94,-37.94,;-11.16,-36.6,;-11.95,-35.27,;-11.17,-33.93,;-9.63,-33.94,;-8.86,-32.6,;-7.31,-32.6,;-6.54,-31.27,;-5.01,-31.27,;-4.25,-32.6,;-2.74,-32.92,;-2.59,-34.45,;-1.25,-35.22,;.08,-34.45,;1.42,-35.22,;2.76,-34.45,;2.75,-32.89,;1.41,-32.13,;.08,-32.9,;-1.25,-32.13,;-3.99,-35.07,;-4,-36.61,;-2.67,-37.37,;-2.68,-38.91,;-4.01,-39.68,;-4.02,-41.22,;-5.34,-38.9,;-5.33,-37.37,;-5.02,-33.93,;-6.55,-33.93,;-8.85,-35.26,;-9.61,-36.6,)|
COc1ccc(OC)c(Nc2nc(N)nc(n2)-c2cc3ccccc3o2)c1
COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)cc12
COc1ccc(Oc2cc(Nc3c(Cl)cccc3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2cc(Nc3c(F)cccc3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2cc(Nc3cc(Cl)ccc3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2cc(Nc3cc(F)ccc3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2cc(Nc3cc(OC)ccc3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2cc(Nc3ccc(Cl)cc3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2cc(Nc3ccc(F)cc3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2cc(Nc3cccc(Cl)c3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2cc(Nc3cccc(OC)c3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2cc(Nc3ccccc3-c3nnc[nH]3)c(Cl)cn2)cc1
COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(Cl)cn2)cc1
COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(F)cn2)cc1
COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)c(Cl)c1
COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1
COc1ccc(Oc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cc1
COc1ccc(\C=C/C(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)cc1
COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1 |w:14.15|
COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|
COc1ccc(cc1)-c1c2CCCc2[nH]c(=S)c1C#N
COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OC)cc1O
COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OCC(C)=C)cc1O
COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1ccc(cc1)C1C(CCC(=O)N1c1ccc(OC)cc1)C(=O)NCc1ccco1
COc1ccc(cc1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cnc2cc(ccc12)C(F)(F)F
COc1ccc(cc1)S(=O)(=O)\N=C1\NC(=O)\C(S1)=C1\C(=O)Nc2ccc(Br)cc12
COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
COc1ccc(cc1COC(=O)c1c(C)noc1C)C(C)=O
COc1ccc(cc1COC(=O)c1cc(C)oc1C)C(C)=O
COc1ccc(cc1F)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(C)n3)nc12
COc1ccc(cc1F)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)-c3ccccn3)nc12
COc1ccc(cc1F)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12
COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
COc1ccc(cc1OC)-c1n[nH]cc1\C=N/NC(=O)c1ccccc1I
COc1ccc(cc1OC)-c1nnc(o1)-c1ccc(Br)o1
COc1ccc(cc1OC)C(=O)NCc1cn2c(C)csc2n1
COc1ccc(cc1OC)C(=O)NCc1nc2ccccc2[nH]1
COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
COc1ccc(cc1OC)C1=NOC(C1)C(=O)Nc1ccc(cc1)C(C)=O |t:11|
COc1ccc(cc1OC)C1C(C#N)C(=N)SC(=N)C1C#N
COc1ccc(cc1OC)N=CC1C(=O)Nc2ccccc12 |w:10.10|
COc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCC1CCN(C)CC1)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1
COc1ccc2c(Cl)c(sc2c1)C(N)=O
COc1ccc2cc(ccc2c1)C(C)C(=O)Nc1cc(C)ccn1
COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|
COc1ccc2n(C)c3c(ncn(Cc4ccco4)c3=O)c2c1
COc1ccc2n(c(nc2c1)-c1ccc(C)c(Cl)c1)-c1ccnc(NC2CCCCC2)c1
COc1ccc2n(c(nc2c1)-c1ccc(Cl)c(Cl)c1)-c1ccnc(NC2CCCCC2)c1
COc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCCCC2)c1
COc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCCCC2)n1
COc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|
COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(NC4CCCCC4)n3)c2c1
COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1 |r|
COc1ccc2nc(NC(=O)Cc3ccc(OC)c(c3)S(=O)(=O)N3CCOCC3)sc2c1
COc1ccc2ncn(-c3ccccc3)c2c1
COc1cccc(C2=NOC(C2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1OC |t:7|
COc1cccc(C2=NOC(C2)C(=O)Nc2cccc(c2)C(C)=O)c1OC |t:7|
COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCOCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1
COc1cccc(OCC(=O)Nc2ccccc2C(N)=O)c1
COc1cccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)c1
COc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2ccc(F)cc2)c1)-c1ccccc1
COc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1
COc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1)-c1ccccc1
COc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)-c1ccccc1
COc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1ccc(F)cc1)-c1ccccc1
COc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1cccc(c1)C(F)(F)F)-c1ccccc1
COc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1ccccc1)-c1ccccc1
COc1cccc(c1)-n1ccc(n1)-c1ccnc(Nc2ccc(cc2)-n2nc(C)nc2C)c1
COc1cccc(c1)C(=O)Nc1c(oc2ccccc12)C(N)=O
COc1cccc(c1)C(=O)\C=C1/Nc2ccccc2NC1=O
COc1cccc(c1)C(=O)c1sc(NC(C)C)nc1N
COc1cccc(c1)C1=NCCc2cc(OC)c(OC)cc12 |t:9|
COc1cccc(c1)C1=NOC(C1)C(=O)NC1CCCCC1 |t:9|
COc1cccc(c1)C1=NOC(C1)C(=O)Nc1cc(OC)c(OC)c(OC)c1 |t:9|
COc1cccc(c1)C1=NOC(C1)C(=O)Nc1ccc(OC)c(OC)c1 |t:9|
COc1cccc(c1)C1=NOC(C1)C(=O)Nc1ccc(cc1)C(C)=O |t:9|
COc1cccc(c1)C1=NOC(C1)C(=O)Nc1cccc(c1)C(C)=O |t:9|
COc1cccc(c1)C1=NOC(C1)C(=O)Nc1cccnc1 |t:9|
COc1cccc2c(O)c(C\C=C(\C)Cl)c(C)nc12
COc1cccc2c(O)c(cnc12)C(=O)NCc1cccs1
COc1ccccc1-c1nnc(S)o1
COc1ccccc1C(=O)\C=C1/Nc2cc(ccc2NC1=O)C#N
COc1ccccc1C(=O)\C=C1/Nc2ccccc2NC1=O
COc1ccccc1NC(=O)CN1CCC(CC1)n1nnc2cc(F)ccc12
COc1ccccc1NC(=O)COc1ccc(CO)cc1Cl
COc1ccccc1Nc1cc(ccn1)-c1ccnc(Nc2ccccc2OC)c1
COc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1ccccc1
COc1ccccc1Oc1cc(Nc2ccccc2C(N)=O)c(cn1)C(F)(F)F
COc1ccccc1S(=O)(=O)Nc1cc(C)c(Oc2ncccc2-c2ccnc(N[C@H]3CC[C@H](N)CC3)n2)c2ccccc12 |r,wU:33.35,wD:30.31,(46.34,-48.38,;47.67,-47.6,;47.66,-46.06,;46.33,-45.3,;46.32,-43.75,;47.66,-42.98,;48.99,-43.75,;48.99,-45.29,;50.31,-46.06,;51.08,-47.39,;49.54,-47.38,;51.65,-45.29,;52.99,-46.06,;54.32,-45.29,;55.65,-46.05,;56.98,-45.28,;55.66,-47.6,;56.99,-48.37,;58.32,-47.6,;58.31,-46.06,;59.64,-45.29,;60.98,-46.06,;60.98,-47.6,;59.65,-48.37,;59.66,-49.9,;58.32,-50.67,;58.32,-52.21,;59.66,-52.98,;60.99,-52.21,;62.33,-52.97,;63.66,-52.2,;64.99,-52.97,;66.31,-52.2,;66.32,-50.66,;67.65,-49.89,;64.98,-49.89,;63.64,-50.66,;60.99,-50.67,;54.32,-48.37,;54.32,-49.91,;53,-50.68,;51.66,-49.91,;51.65,-48.37,;52.98,-47.6,)|
COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1 |w:14.15|
COc1nc(cs1)-c1sccc1NC(=O)Cc1cccc2cnccc12
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)N(c1ccc(cc1)-c1cnc2ccc3ccncc3c2c1)S(C)(=O)=O
CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)CSc1ccc(Cl)cc1
CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)Cc1ccccc1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1
CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(-c3ccccn3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(-c3cccnc3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(-c3ccncc3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(NC(=O)c3ccccn3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(Nc3ccc(Cl)cn3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(Nc3ccc(F)cn3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(Nc3ccc(cn3)C(F)(F)F)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(Nc3cccc(Cl)n3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(Nc3ccccn3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(Nc3ncc(s3)[N+]([O-])=O)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(Nc3ncccc3Cl)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccc(Nc3ncccn3)c2c1
CS(=O)(=O)Nc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
CS(=O)(=O)c1ccc(CN2CCCc3c2sc(NC(=O)c2cccc4ccccc24)c3C#N)cc1
CS(=O)(=O)c1nccc(n1)-c1c(nc2sccn12)-c1cccc(OCc2ccccc2)c1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CS(=O)c1ccccc1CSc1ncc(-c2ccc(F)cc2)c(n1)-c1ccncc1
CSCCC(Nc1ncnc2ccc(Br)cc12)C(O)=O
CSc1ccc(cc1)-n1ccc(n1)-c1ccnc(Nc2ccc(cc2)-n2nc(C)nc2C)c1
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
CSc1nc(C)c(-c2ccnc(Nc3ccc(NC(=O)c4cccc(NC(=O)C=C)c4)cc3)c2)n1C
CSc1nc(C)c([nH]1)-c1ccnc(Nc2ccc(NC(=O)c3ccc(NC(=O)C=C)cc3)cc2)c1
CSc1nc(C)c([nH]1)-c1ccnc(Nc2ccc(NC(=O)c3cccc(NC(=O)C=C)c3)cc2)c1
CSc1nc(C)c([nH]1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
CSc1nc(c(-c2ccnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3C)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(Nc3ccc(NC(=O)c4cccc(N)c4)cc3)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(Nc3ccc(NC(=O)c4cccc(NC(=O)C=C)c4)cc3)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(Nc3ccc(NC(=O)c4cccc(NC(=O)C=C)c4)cc3C)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(Nc3ccc(NC(=O)c4cccc(NC(=O)C=C)c4C)cc3)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(Nc3cccc(NC(=O)c4cccc(NC(=O)C=C)c4)c3)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(Nc3cccc(NC(=O)c4cccc(NC(=O)C=C)c4C)c3)c2)n1C)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(Nc2ccc(N)cc2)c1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(Nc2ccc(NC(=O)c3ccc(NC(=O)C=C)cc3)cc2)c1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(Nc2ccc(NC(=O)c3cccc(NC(=O)C=C)c3)cc2)c1)-c1ccc(F)cc1
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
C[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r|
C[C@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1 |r|
C[C@H](O)CNc1cc(ccn1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1 |r|
C[C@H](O)CNc1cc(ccn1)-n1c(nc2ccccc12)-c1cccc(O)c1 |r|
C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
C[C@H]1COCCN1c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 |r|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
C[S+]([O-])c1nc(c(-c2ccc(NC(C)=O)nc2)n1C)-c1ccc(F)cc1
Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC(=O)Nc1ccccn1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCN)c4ccc(Cl)cc4)c(F)c3)c2c1C
Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)c(F)c3)c2c1C
Cc1c(Cl)cccc1\N=C1\NC(=O)\C(S1)=C1\C(=O)Nc2ccc(Br)cc12
Cc1c(Cl)cccc1\N=C1\NC(=O)\C(S1)=C1\C(=O)Nc2ccccc12
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Cc1c(ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12)-c1cnn(C)c1
Cc1c(oc2ccccc12)-c1nc(N)nc(Nc2ccccc2)n1
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(C)cc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12
Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3C(F)(F)F)c2n1
Cc1cc(C)n(n1)-c1cc(Nc2ccc(C)cc2)ncn1
Cc1cc(C)n(n1)-c1cc(Nc2ccc(C)cc2C)ncn1
Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)Nc1sccc1C(N)=O
Cc1cc(NC(=O)C2CC(=NO2)c2ccc(F)cc2)no1 |c:9|
Cc1cc(NC(=O)COC(=O)c2n[nH]c3ccccc23)no1
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)[nH]n1 |t:9,18|
Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cc(C)n1
Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)ccn1
Cc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:37.41,wD:34.37,(33.9,-45.58,;32.57,-46.36,;31.23,-45.59,;29.9,-46.36,;28.57,-45.59,;27.23,-46.36,;27.99,-47.69,;26.46,-47.69,;25.9,-45.59,;25.91,-44.05,;24.58,-43.28,;23.24,-44.05,;23.25,-45.6,;24.58,-46.36,;29.9,-47.91,;28.57,-48.68,;28.57,-50.22,;29.91,-50.98,;31.24,-50.21,;31.23,-48.68,;32.57,-47.91,;33.91,-48.67,;35.24,-47.9,;35.23,-46.37,;36.55,-45.59,;37.9,-46.36,;37.9,-47.9,;36.57,-48.67,;36.57,-50.21,;35.24,-50.98,;35.24,-52.51,;36.57,-53.29,;37.91,-52.51,;39.25,-53.27,;40.58,-52.5,;41.9,-53.27,;43.23,-52.5,;43.23,-50.96,;44.56,-50.19,;41.89,-50.19,;40.56,-50.96,;37.9,-50.97,)|
Cc1cc(NS(=O)(=O)c2ccccc2C#N)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:39.43,wD:36.39,(11.6,-3.63,;10.27,-4.4,;8.93,-3.64,;7.6,-4.41,;6.27,-3.64,;4.93,-4.41,;5.69,-5.74,;4.16,-5.73,;3.6,-3.64,;3.61,-2.1,;2.28,-1.33,;.94,-2.1,;.95,-3.65,;2.28,-4.41,;2.29,-5.95,;2.29,-7.49,;7.6,-5.95,;6.27,-6.72,;6.27,-8.26,;7.62,-9.03,;8.94,-8.26,;8.94,-6.72,;10.27,-5.95,;11.61,-6.72,;12.94,-5.95,;12.93,-4.41,;14.25,-3.64,;15.6,-4.41,;15.6,-5.95,;14.27,-6.72,;14.27,-8.25,;12.94,-9.02,;12.94,-10.56,;14.27,-11.33,;15.61,-10.56,;16.95,-11.32,;18.28,-10.55,;19.6,-11.32,;20.93,-10.55,;20.93,-9.01,;22.27,-8.24,;19.6,-8.24,;18.26,-9.01,;15.6,-9.02,)|
Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:38.42,wD:35.38,(34.99,-3.81,;33.66,-4.59,;32.33,-3.83,;31,-4.6,;29.66,-3.83,;28.33,-4.6,;29.09,-5.93,;27.56,-5.92,;27,-3.83,;27,-2.29,;25.67,-1.52,;24.34,-2.29,;24.34,-3.84,;25.67,-4.6,;25.68,-6.14,;31,-6.14,;29.67,-6.91,;29.67,-8.45,;31.01,-9.22,;32.34,-8.44,;32.33,-6.91,;33.67,-6.14,;35,-6.91,;36.34,-6.14,;36.32,-4.6,;37.65,-3.82,;38.99,-4.59,;39,-6.13,;37.66,-6.9,;37.67,-8.44,;36.33,-9.21,;36.33,-10.75,;37.67,-11.52,;39,-10.74,;40.34,-11.51,;41.67,-10.73,;43,-11.5,;44.32,-10.74,;44.33,-9.2,;45.66,-8.43,;42.99,-8.43,;41.65,-9.2,;39,-9.21,)|
Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r|
Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:37.42,wD:34.38,(29.58,-30.1,;28.24,-30.87,;26.91,-30.11,;25.58,-30.88,;24.24,-30.11,;22.91,-30.88,;22.75,-32.41,;21.24,-32.73,;20.48,-34.06,;18.95,-34.06,;18.17,-32.73,;18.94,-31.39,;20.47,-31.39,;21.5,-30.25,;25.58,-32.43,;24.25,-33.2,;24.25,-34.74,;25.59,-35.51,;26.92,-34.73,;26.91,-33.2,;28.25,-32.43,;29.59,-33.19,;30.92,-32.42,;30.91,-30.88,;32.23,-30.11,;33.58,-30.88,;33.58,-32.42,;32.25,-33.19,;32.25,-34.73,;30.92,-35.5,;30.92,-37.04,;32.25,-37.81,;33.59,-37.03,;34.93,-37.8,;34.93,-39.34,;33.6,-40.1,;33.6,-41.64,;34.94,-42.41,;34.94,-43.95,;36.27,-41.64,;36.27,-40.09,;33.58,-35.49,)|
Cc1cc(Nc2nc3ccccc3o2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:37.42,wD:34.38,(11.12,-44.15,;9.78,-44.92,;8.45,-44.16,;7.12,-44.93,;5.78,-44.16,;4.45,-44.93,;4.29,-46.46,;2.78,-46.78,;2.01,-48.11,;.48,-48.11,;-.3,-46.78,;.48,-45.44,;2.01,-45.45,;3.04,-44.3,;7.12,-46.47,;5.78,-47.24,;5.79,-48.79,;7.13,-49.55,;8.46,-48.78,;8.45,-47.25,;9.79,-46.47,;11.13,-47.24,;12.46,-46.47,;12.45,-44.93,;13.77,-44.16,;15.12,-44.92,;15.12,-46.47,;13.79,-47.24,;13.79,-48.78,;12.46,-49.55,;12.46,-51.09,;13.79,-51.86,;15.13,-51.08,;16.47,-51.84,;17.8,-51.07,;19.12,-51.84,;20.45,-51.07,;20.45,-49.53,;21.79,-48.76,;19.12,-48.76,;17.78,-49.53,;15.12,-49.54,)|
Cc1cc(O)ccc1-c1cnc2ccccc2n1
Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1cnc2ccccc2c1
Cc1cc(n[nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12
Cc1cc(nc(Cl)n1)C(C#N)c1nc2ccccc2s1
Cc1cc2nc3\C(=N/O)c4ccccc4-c3nc2cc1C
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
Cc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Cc1ccc(CN2C(=O)C(N=O)c3ccccc23)cc1
Cc1ccc(CNC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(NC(=O)C2CC(=NO2)c2ccc(F)cc2)cc1 |c:10|
Cc1ccc(NC(=O)c2cc(F)cc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Cc1ccc(NC(=O)c2cc(ccc2F)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Cc1ccc(NC(=O)c2ccc(F)c(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccc(Cl)cc3)cn2)cn1
Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccc(F)cc3)cn2)cn1
Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(Cl)c3)cn2)cn1
Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(F)c3)cn2)cn1
Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cn1
Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c(C)n1
Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)nc1
Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3F)cn2)cn1
Cc1ccc(NC(=O)c2cccc(c2F)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1
Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc(cc1)C(=O)OCc1cc2ccccc2[nH]c1=O
Cc1ccc(cc1)S(=O)(=O)NCCCCCC(=O)Nc1nccs1
Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2c(NCCN3CCOCC3)nncc2c1)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2c(c1)nnn(CC1CC1)c2=O)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2c(nncc2c1)-c1ccccc1)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2c(nncc2c1)N1CCOCC1)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)Nc1cccc(c1)N1CCOCC1
Cc1ccc(cc1-c1ccc2ccncc2c1)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Cc1ccc(cc1Cl)\N=C1\NC(=O)\C(S1)=C1\C(=O)Nc2ccc(I)cc12
Cc1ccc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1
Cc1ccc(cn1)-c1cccc2cnc(NC3CCC(O)CC3)nc12 |(-2.41,-16.62,;-3.75,-17.39,;-3.76,-18.93,;-5.09,-19.69,;-6.42,-18.91,;-6.42,-17.38,;-5.08,-16.61,;-7.75,-19.68,;-9.09,-18.9,;-10.42,-19.68,;-10.42,-21.22,;-9.09,-21.99,;-9.11,-23.53,;-7.78,-24.31,;-6.43,-23.55,;-5.1,-24.33,;-3.77,-23.57,;-2.44,-24.35,;-1.11,-23.6,;-1.08,-22.06,;.26,-21.31,;-2.41,-21.28,;-3.76,-22.03,;-6.42,-22,;-7.75,-21.22,)|
Cc1ccc(cn1)-c1cccc2cnc(N[C@H]3CC[C@H](CC3)C(=O)N3CCCC3)nc12 |r,wU:16.16,19.23,(12,-17.01,;10.66,-17.78,;10.65,-19.32,;9.32,-20.08,;7.99,-19.31,;7.99,-17.77,;9.33,-17,;6.66,-20.07,;5.32,-19.29,;3.99,-20.07,;3.99,-21.62,;5.32,-22.38,;5.3,-23.92,;6.64,-24.71,;7.98,-23.94,;9.31,-24.72,;10.65,-23.97,;10.65,-22.42,;12,-21.67,;13.33,-22.46,;13.31,-24,;11.97,-24.75,;14.67,-21.7,;14.69,-20.16,;16,-22.49,;15.98,-24.02,;17.44,-24.52,;18.36,-23.28,;17.47,-22.03,;8,-22.39,;6.66,-21.62,)|
Cc1ccc(cn1)-c1cccc2cnc(Nc3ccc(F)cc3)nc12
Cc1ccc(cn1)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12
Cc1ccc(cn1)-c1cccc2cnc(Nc3ccc(cc3)C(=O)N3CCOCC3)nc12
Cc1ccc(cn1)-c1cccc2cnc(Nc3ccc4OCOc4c3)nc12
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2cc(-c3ccn(C)n3)c(Cl)cn2)cc1
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2cc(-c3ccn(C)n3)c(F)cn2)cc1
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2ncc3ccc(cc3n2)-c2cn[nH]c2)cc1
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Cc1ccc2N(C(=O)C(N=O)c2c1)c1ccccc1
Cc1ccc2N(Cc3cccc(C)c3)C(=O)C(N=O)c2c1
Cc1ccc2N(Cc3cccc(c3)C(F)(F)F)C(=O)C(N=O)c2c1
Cc1ccc2N(Cc3ccccc3)C(=O)C(N=O)c2c1
Cc1ccc2[nH]c-3c(CCc4c[nH]nc-34)c2c1
Cc1ccc2c(C)nc(NC3=NCN(Cc4ccccc4)CN3)nc2c1 |t:10|
Cc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1
Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r|
Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:38.42,wD:35.38,(58.89,-4.22,;57.56,-5,;56.22,-4.23,;54.89,-5.01,;54.89,-6.55,;53.56,-7.32,;52.22,-6.55,;52.21,-5.01,;52.98,-3.67,;53.75,-5,;50.88,-4.24,;50.88,-2.71,;49.55,-1.95,;48.22,-2.72,;48.23,-4.26,;49.56,-5.02,;49.58,-6.56,;53.56,-8.86,;54.9,-9.63,;56.23,-8.86,;56.22,-7.32,;57.56,-6.55,;58.9,-7.32,;60.23,-6.55,;60.22,-5.01,;61.55,-4.23,;62.89,-5,;62.89,-6.54,;61.56,-7.32,;61.57,-8.85,;60.23,-9.62,;60.23,-11.16,;61.56,-11.94,;62.9,-11.16,;64.24,-11.92,;65.57,-11.15,;66.9,-11.92,;68.23,-11.15,;68.23,-9.61,;69.56,-8.84,;66.89,-8.84,;65.55,-9.61,;62.9,-9.62,)|
Cc1ccc2nc(Cc3ccc(N)cc3)oc2c1
Cc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(CC4)c4ccccn4)c3c2c1
Cc1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
Cc1cccc(N=CC2C(=O)Nc3ccccc23)n1 |w:6.5|
Cc1cccc(NC(=O)Nc2cnn(c2)-c2cccc(c2)C(=O)NCCN2CCOCC2)c1
Cc1cccc(\N=C2\NC(=O)\C(S2)=C2\C(=O)Nc3ccccc23)c1C
Cc1cccc(c1)-n1ncc2c(NCc3cccs3)ncnc12
Cc1cccc(c1)C(=O)\C=C1/Nc2ccccc2NC1=O
Cc1cccc(c1)S(=O)(=O)Nc1sc2CCCCc2c1C#N
Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
Cc1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Cc1cccc2nc3\C(=N/O)c4ccccc4-c3nc12
Cc1ccccc1-c1nnc(S)o1
Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccccc1-n1c(SCc2cc(=O)n3ccccc3n2)nc2n[nH]cc2c1=O |(3.08,-1.87,;4.41,-2.64,;4.41,-4.18,;5.75,-4.95,;7.08,-4.18,;7.08,-2.64,;5.75,-1.87,;5.75,-.33,;7.08,.44,;8.41,-.33,;9.75,.44,;11.08,-.33,;11.08,-1.87,;12.42,-2.64,;12.42,-4.18,;13.75,-1.87,;15.13,-2.7,;16.52,-1.91,;16.52,-.3,;15.13,.49,;13.75,-.33,;12.42,.44,;7.08,1.98,;5.75,2.75,;5.43,4.24,;3.9,4.4,;3.28,3,;4.41,1.98,;4.41,.44,;3.08,-.33,)|
Cc1ccccc1C(=O)\C=C1/Nc2ccccc2NC1=O
Cc1ccccc1NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1
Cc1ccccc1Nc1cc(ccn1)-c1ccnc(Nc2ccccc2C)c1
Cc1ccccc1Nc1nn2c(nc3ccccc3c2=O)s1
Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1
Cc1ccnc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)c1
Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
Cc1ccncc1NC(=O)Cc1cccc2ccccc12
Cc1cn(C)nc1-c1ccnc(Nc2ccc(cc2)-n2nc(C)nc2C)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)S(=O)(=O)c1ccc(Br)c2ccccc12
Cc1cn2c(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)csc2n1
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)cc1-c1ccn(C)n1
Cc1cnc(cn1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
Cc1cnc(s1)-c1sccc1NC(=O)Cc1cccc2cnccc12
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1cncc(NC(=O)c2cc(cc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)N2CCOCC2)c1
Cc1cncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1
Cc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1ncn[nH]1
Cc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1ncn[nH]1
Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1
Cc1csc(NC(=O)Cc2ccc(OCCn3ccnc3)cc2)c1-c1ncn[nH]1
Cc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nc2ccccc2s1
Cc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1
Cc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1
Cc1csc(NC(=O)Cc2cccc3nccnc23)c1-c1ncn[nH]1
Cc1csc(n1)-c1sccc1NC(=O)Cc1cccc2cnccc12
Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1
Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
Cc1n[nH]c(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12
Cc1n[nH]c(n1)-c1sccc1NC(=O)Cc1ccc(cc1)N1CCCC1=O
Cc1n[nH]c(n1)-c1sccc1NC(=O)Cc1ccc2OCCOc2c1
Cc1n[nH]c(n1)-c1sccc1NC(=O)Cc1cccc2ccccc12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1nc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n(C)n1
Cc1nc(C)n(n1)-c1ccc(Nc2cc(-c3ccn(C)n3)c(Cl)cn2)cc1
Cc1nc(C)n(n1)-c1ccc(Nc2cc(-c3ccn(C)n3)c(F)cn2)cc1
Cc1nc(C)n(n1)-c1ccc(Nc2cc(ccn2)-c2ccn(n2)-c2cccc(c2)C#N)cc1
Cc1nc(C)n(n1)-c1ccc(Nc2cc(ccn2)-c2ccn(n2)-c2ccccn2)cc1
Cc1nc(C)n(n1)-c1ccc(Nc2cc(ccn2)-c2nn(C)cc2-c2ccc(F)cc2)cc1
Cc1nc(C)n(n1)-c1ccc(Nc2cc(ccn2)-c2nn(C)cc2-c2cccnc2)cc1
Cc1nc(CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cs1
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
Cc1nc(NCc2ccco2)c(C#N)c2CC(C)(C)OCc12
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc(SCCC(O)=O)c2ccccc2n1
Cc1nc(c[nH]1)-c1sccc1NC(=O)CN1C(=O)CCc2ccccc12
Cc1nc2cccc(C(=O)NCc3ccccc3)c2o1
Cc1nc2n(ncc2cc1Nc1c(F)cccc1Cl)-c1csc(c1)C(=O)NC1COC1
Cc1nc2n(ncc2cc1Nc1cc(F)ccc1Cl)-c1csc(c1)C(=O)NC1COC1
Cc1nc2n(ncc2cc1Nc1ccc(F)cc1Cl)-c1csc(c1)C(=O)NC1COC1
Cc1nc2n(ncc2cc1Nc1cccc(F)c1Cl)-c1csc(c1)C(=O)NC1COC1
Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
Cc1ncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Cc1ncccc1NC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
Cc1nccnc1NC(=O)Cc1cccc2ccccc12
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2c(C)n[nH]c2C)cc1 |(19.63,-50.34,;18.1,-50.18,;17.33,-48.85,;15.83,-49.17,;15.67,-50.7,;17.07,-51.33,;14.34,-51.48,;13,-50.71,;11.67,-51.48,;11.67,-53.03,;10.34,-53.8,;9,-53.02,;9.01,-51.48,;7.68,-50.71,;6.34,-51.48,;6.35,-53.03,;7.68,-53.79,;7.69,-49.18,;8.94,-48.27,;8.46,-46.81,;6.92,-46.81,;6.44,-48.27,;4.93,-48.51,;4.22,-49.88,;4.91,-51.25,;2.7,-49.64,;2.46,-48.12,;3.83,-47.42,;4.07,-45.9,;13,-53.8,;14.34,-53.03,)|
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cc[nH]n2)cc1
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2)cc1
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2C)cc1
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cnn(C)c2)cc1
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2C)cc1
Cc1ncn(n1)-c1ccc(Nc2ncc(Cl)c(n2)-c2ccn(C)n2)cc1
Cc1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4ccc(C)nc4)c3n2)cc1
Cc1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4nccs4)c3n2)cc1
Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc[nH]n2)cc1
Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2ccn(C)n2)cc1
Cc1nn(-c2ccccc2C)c2sc(cc12)C(=O)N1CCOCC1
Cc1nn(-c2ccccc2C)c2sc(cc12)C(=O)NCc1cccnc1
Cc1nn(C)cc1CNC(=O)c1cnn2c(cc(nc12)C1CC1)C(F)F
Cc1nn(C)cc1NC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
Cc1nn(c2Sc3nc4ccccc4n3C(O)c12)-c1ccccc1
Cc1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
Cc1nnc([nH]1)-c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1
Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
Cc1nnc([nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12
Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
Cc1nnc(o1)-c1sccc1NC(=O)Cc1cccc2ccccc12
Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)|
Cc1noc(n1)-c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1
Cc1noc(n1)-c1c(C)csc1NC(=O)Cc1cccc2ccccc12
Cc1noc(n1)-c1sccc1NC(=O)Cc1cccc2ccccc12
Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.52,4.21,;2.78,5.56,;1.27,5.27,;1.1,3.76,;2.47,3.09,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Cc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Cc1sc(NC(=O)c2cccs2)c(C(N)=O)c1C
Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)NC1COC1
Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)N[C@@H]1CCOC1 |r|
Cc1sc2nc(SCC(=O)Nc3sccc3C(N)=O)n(CC=C)c(=O)c2c1C
Clc1cc(c(NC(=O)Cc2cncc3ccccc23)s1)-c1ncn[nH]1
Clc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1Cl
Clc1ccc(CN2C(=O)C(N=O)c3ccccc23)cc1
Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NCCN4CCCC4)n3n2)cc1Cl
Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)cc1Cl |r|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1ccc(cc1)C(=O)NCc1ccc(s1)S(=O)(=O)N1CCC(CC1)n1nnc2ccccc12
Clc1ccc(cc1)C(=O)\C=C1/Nc2ccccc2NC1=O
Clc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
Clc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Clc1ccc(cc1Cl)-c1cc(CC#N)nn1-c1ccnc(N[C@@H]2CCN(C2)C(=O)C2CC2)n1 |r|
Clc1ccc(cc1Cl)-c1nc2ccccc2n1-c1ccnc(NC2CCOCC2)n1
Clc1ccc(cc1Cl)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|
Clc1ccc(cc1Cl)-c1ncc(CC#N)n1-c1ccnc(NC2CCCCC2)n1
Clc1ccc(cc1Cl)-c1ncc(CC#N)n1-c1ccnc(NC2CCCN(C2)C(=O)C2CC2)n1
Clc1ccc(cc1Cl)-c1ncc(CC#N)n1-c1ccnc(NC2CCCNC2)n1
Clc1ccc(cc1Cl)-c1ncc(CC#N)n1-c1ccnc(NC2CCOCC2)n1
Clc1ccc(cc1Cl)C1=NOC(C1)C(=O)Nc1cccnc1 |t:9|
Clc1ccc2CCC(=O)N(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1
Clc1ccc2N(Cc3ccccc3)C(=O)C(N=O)c2c1
Clc1ccc2[nH]c(=O)c(SCC(=O)NC3CCCC3)c(-c3ccccc3)c2c1
Clc1ccc2[nH]c-3c(CCc4c[nH]nc-34)c2c1
Clc1ccc2c(c1)[nH]c(=O)n(CCCC(=O)NCC1CCCO1)c2=O
Clc1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2c1
Clc1cccc(C(=O)\C=C2/Nc3ccccc3NC2=O)c1Cl
Clc1cccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)c1
Clc1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1 |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Clc1cccc(NC(=O)CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c1
Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCCC1
Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCOCC1
Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCc2ccccc2C1
Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCC1CCCO1
Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCCc1cccnc1
Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1
Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NOCc1ccccc1
Clc1cccc(c1)C(=O)\C=C1/Nc2ccccc2NC1=O
Clc1cccc(c1)C1=NCCc2ccccc12 |t:8|
Clc1cccc(c1)\N=C1\NC(=O)\C(S1)=C1\C(=O)Nc2ccc(I)cc12
Clc1cccc(n1)C(C#N)c1nc2ccccc2s1
Clc1cccc2[nH]c3c(ncn(Cc4ccncc4)c3=O)c12
Clc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Clc1ccccc1C(=O)\C=C1/Nc2cc(ccc2NC1=O)C#N
Clc1ccccc1C(=O)\C=C1/Nc2ccccc2NC1=O
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cc(cs1)C(=O)NC1CNC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1ccc(s1)C(=O)NC1CNC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NC1CCNC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NC1CNC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCC1CCNCC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCCCN1CCCC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCCCN1CCOCC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(CCN2CCCC2)c1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNCC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CCOCC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CNC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NCC1CCNCC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NCC1CCOCC1
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC[C@H]1CCOC1 |r|
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)N[C@@H]1CCNC1 |r|
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)N[C@@H]1CCOC1 |r|
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1nc(cs1)C(=O)NC1CNC1
Clc1ccccc1Nc1cc2cnn(-c3csc(c3)C(=O)NC3COC3)c2cn1
Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1
Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NCCCN1CCOCC1
Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1ccccc1
Clc1ccccc1Nc1ccc2n(ncc2c1)-c1cc(ccn1)C(=O)NCCN1CCOCC1
Clc1ccccc1Nc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCCN1CCN(CC1)C1CCC1
Clc1ccccc1Nc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCCN1CCOCC1
Clc1ccccc1Nc1ccc2n(ncc2n1)-c1csc(c1)C(=O)NC1COC1
Clc1ccccc1Nc1cnc2n(ncc2c1)-c1csc(c1)C(=O)NC1COC1
Clc1ccccc1\N=C1/NC(=O)\C(S1)=C\C=C\c1ccccc1
Clc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
Clc1cnc(Nc2ccc(cc2)N2CCOCC2)cc1-c1cc[nH]n1
Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1ncn[nH]1
Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
Clc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nc[nH]n1
Clc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nccs1
Clc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1ncn[nH]1
Clc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nnc[nH]1
Clc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1
Clc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1
Clc1csc(NC(=O)Cn2c3ccc(Br)cc3ccc2=O)c1-c1nc[nH]n1
Clc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nc[nH]n1
Clc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1ncn[nH]1
Clc1nc(Br)cc(n1)C(C#N)c1nc2ccccc2s1
Clc1nc(cs1)-c1sccc1NC(=O)Cc1cccc2cnccc12
Clc1ncc(Br)c(n1)C(C#N)c1nc2ccccc2[nH]1
Clc1nccc(n1)C(C#N)c1nc2ccccc2s1
Clc1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
Clc1nnn(c1-c1ccc2ccccc2c1)-c1ccncc1
Cn1c(NC(=O)c2ccccc2NC(=O)c2ccco2)nc2ccccc12
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)NCc1ccco1
Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Cn1c2c3cnc4ccccc4n3c(-c3ccccc3)c2c(=O)n(C)c1=O
Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O
Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(-c2ccnn2C)c(n1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Cn1cc(-c2ncco2)c(n1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCCOCC1 |r,wU:15.17,wD:18.24,(4.88,5.24,;3.83,4.58,;3.72,3.05,;2.23,2.7,;1.41,3.98,;2.4,5.16,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.62,5.38,;-8.75,6.43,;-10.27,6.2,;-11.04,4.86,;-10.48,3.43,;-9.01,2.98,)|
Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:15.17,wD:18.24,(4.88,5.24,;3.83,4.58,;3.72,3.05,;2.23,2.7,;1.41,3.98,;2.4,5.16,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-9.05,3.07,;-10.39,3.83,;-10.39,5.37,;-9.06,6.15,;-7.72,5.38,)|
Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)-c3ccccn3)nc2c1
Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1
Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1-c1ccccc1
Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1-c1cnn(C)c1
Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1C(F)(F)F
Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1C1CC1
Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1Cl
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1cc(cn1)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12
Cn1cc(cn1)-c1cn(C)nc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Cn1cc(cn1)-c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Cn1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)n1
Cn1ccc(n1)-c1cc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)ncc1F
Cn1ccc(n1)-c1cc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)ncc1Cl
Cn1ccc(n1)-c1cc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)ncc1F
Cn1ccc(n1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl
Cn1ccc(n1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncc1F
Cn1ccc(n1)-c1nc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)ncc1Cl
Cn1ccc(n1)-c1sccc1NC(=O)Cc1cccc2ccccc12
Cn1ccnc1-c1sccc1NC(=O)Cc1cccc2ccccc12
Cn1cnc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)c1
Cn1cnc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)n1
Cn1cnc(n1)-c1c(Br)csc1NC(=O)CN1C(=O)CCc2ncccc12
Cn1cnc(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12
Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2cc(ncc2ccc1=O)C(F)(F)F
Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2cc(nn2ccc1=O)C(F)(F)F
Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccc(nc2ccc1=O)C(F)(F)F
Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccnn2ccc1=O
Cn1cnc(n1)-c1c(NC(=O)CN2C(=O)CCc3ncccc23)scc1C#N
Cn1cnc(n1)-c1c(NC(=O)Cc2cccc3ncccc23)scc1C#N
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Cn1cncc1CCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
Cn1ncc2c(NCc3ccccc3)ncnc12
Cn1nccc1NC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
Cn1ncnc1-c1ncsc1NC(=O)Cc1cccc2cnccc12
Cn1nnc(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Cn1nnnc1SCc1ccc(cc1)C(=O)Nc1nccs1
FC(F)(F)CN1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O
FC(F)(F)Oc1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
FC(F)(F)Oc1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
FC(F)(F)c1cc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2cccnc2c1
FC(F)(F)c1cc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)cc2ncccc12
FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2cn1
FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccn2n1
FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2cn1
FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccn2n1
FC(F)(F)c1cc2n(CC(=O)Nc3scc(Cl)c3-c3nc[nH]n3)c(=O)ccc2cn1
FC(F)(F)c1cc2n(CC(=O)Nc3scc(Cl)c3-c3ncn[nH]3)c(=O)ccn2n1
FC(F)(F)c1ccc(CC(=O)Nc2scc(Cl)c2-c2ncn[nH]2)c2cccnc12
FC(F)(F)c1ccc(CC(=O)Nc2scc(Cl)c2-c2nnc[nH]2)c2cccnc12
FC(F)(F)c1ccc(Nc2cc(ccn2)-c2ccnc(Nc3ccc(cc3)C(F)(F)F)c2)cc1
FC(F)(F)c1ccc2N(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)C(=O)CCc2c1
FC(F)(F)c1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1
FC(F)(F)c1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
FC(F)(F)c1ccc2ccc(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)cc2n1
FC(F)(F)c1ccc2n(CC(=O)N(CCCN3CCCC3)c3scc(Cl)c3-c3nc[nH]n3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3ccsc3-c3cscn3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3sc(Cl)cc3-c3ncn[nH]3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2n1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2n1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-n3nccn3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3cncs3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3cscn3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3ncco3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3nccs3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-n3ccnn3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-n3nccn3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-n3nnc4ccccc34)c(=O)ccc2c1 |(9.34,.77,;8,,;8.77,-1.33,;7.23,1.33,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;,-4.62,;1.33,-6.93,;,-7.7,;-1.41,-7.07,;-2.44,-8.22,;-1.67,-9.55,;-2.29,-10.96,;-2.92,-12.37,;-.16,-9.23,;.98,-10.26,;2.49,-9.94,;3.26,-11.28,;2.23,-12.42,;2.39,-13.95,;1.14,-14.86,;-.26,-14.23,;-.42,-12.7,;.82,-11.79,;1.33,-2.31,;,-3.08,;1.33,-.77,;2.67,,;4,-.77,;5.33,,)|
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn(CCCN4CCCC4)n3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn(CCCN4CCOCC4)n3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn[nH]3)c(=O)ccc2c1
FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn[nH]3)c(=O)ccc2n1
FC(F)(F)c1ccc2sc(nc2c1)C(C#N)c1ccnc(Cl)n1
FC(F)(F)c1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
FC(F)(F)c1cccc(NC(=O)c2csc(n2)-c2ccncc2)c1
FC(F)(F)c1cccc(Nc2cc(ccn2)-c2ccnc(Nc3cccc(c3)C(F)(F)F)c2)c1
FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
FC(F)(F)c1cccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc12
FC(F)(F)c1cccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc12
FC(F)(F)c1cnc2c(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)cccc2c1
FC(F)(F)c1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)c2c1
FC(F)(F)c1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
FC(F)(F)c1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
FC(F)CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
FC1(F)C(=O)N(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccccc12
FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Fc1cc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2cccnc2c1
Fc1cc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2cccnc2c1
Fc1cc(CN2C(=O)C(N=O)c3c2cccc3-c2ccccc2)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3c2cccc3Br)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C#N)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=C)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=Cc2ccccc2)c2OCOCc2c1 |w:17.18|
Fc1cc(CN2C(=O)C(N=O)c3c2cccc3CCc2ccccc2)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3cc(Cl)ccc23)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3cc(OC(F)(F)F)ccc23)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3ccc(Br)cc23)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3ccc(cc23)-c2ccccc2)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3ccc(cc23)C(F)(F)F)c2OCOCc2c1
Fc1cc(CN2C(=O)C(N=O)c3ccccc23)c2OCOCc2c1
Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1
Fc1cc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2cc1F
Fc1cc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2cc1F
Fc1cc2ccc(=O)n(CC(=O)Nc3sccc3-c3ncon3)c2cc1F
Fc1cc2cccnc2cc1CC(=O)Nc1scc(Br)c1-c1ncn[nH]1
Fc1cc2ccncc2cc1CC(=O)Nc1scc(Br)c1-n1nccn1
Fc1cc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2cc1C(F)(F)F
Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)NC1CC1
Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)NC1CCOCC1
Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)NC1COC1
Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)N[C@H]1CCOC1 |r|
Fc1cc2nccnc2cc1N1CCSCC1
Fc1ccc(Br)cc1-c1nc(Nc2ccncc2C(=O)NCCCN2CCCC2=O)c2nccnc2n1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(C(=O)Nc2sc3CCCCc3c2C#N)c2ccccc12
Fc1ccc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2cccnc12
Fc1ccc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2ccncc12
Fc1ccc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccncc12
Fc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Fc1ccc(CN2C(=O)C(N=O)c3ccccc23)cc1
Fc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1F
Fc1ccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1
Fc1ccc(NC(=O)Nc2cnn(c2)-c2csc(c2)C(=O)NC2COC2)c(Cl)c1
Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOC3)c2)cc1
Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOCC3)c2)cc1
Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)[C@H]3CCOC3)c2)cc1
Fc1ccc(Nc2cc(ccn2)-c2ccnc(Nc3ccc(F)cc3)c2)cc1
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
Fc1ccc(cc1)-c1c(-c2ccncc2)c(=O)[nH]c2ccccc12
Fc1ccc(cc1)-c1c(NCc2ccccc2)onc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1c(noc1-c1ccccc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1c(noc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1c(noc1C1CC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1c(noc1N1CCOCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Fc1ccc(cc1)-c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1nc2CC[C@@H](Cn3ccnc3)n2c1-c1ccnc(NC2CCC2)n1
Fc1ccc(cc1)-c1nc2ccccc2nc1-c1ccncc1
Fc1ccc(cc1)-c1ncn(CCCNC(=O)c2ccccc2)c1-c1ccncc1
Fc1ccc(cc1)-c1noc(NC(=O)Cc2c(F)cccc2Cl)c1-c1ccncn1
Fc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C#N
Fc1ccc(cc1)C1=NOC(C1)C(=O)Nc1ccc(cc1)C#N |t:8|
Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
Fc1ccc(cc1C(F)(F)F)-c1ncc(CC#N)n1-c1ccnc(NC2CCCCC2)n1
Fc1ccc(cc1C(F)(F)F)-c1ncc(CC#N)n1-c1ccnc(NC2CCCN(C2)C(=O)C2CC2)n1
Fc1ccc(cc1C(F)(F)F)-c1ncc(CC#N)n1-c1ccnc(NC2CCCNC2)n1
Fc1ccc(cc1C(F)(F)F)-c1ncc(CC#N)n1-c1ccnc(NC2CCOCC2)n1
Fc1ccc2N(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)C(=O)CCc2c1
Fc1ccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c2c1
Fc1ccc2N(Cc3ccccc3)C(=O)C(N=O)c2c1
Fc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3ccccc3Cl)c2c1
Fc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Fc1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1
Fc1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2c1
Fc1ccc2n(cnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Fc1ccc2nc3[nH]c4ccccc4c3nc2c1
Fc1ccc2ncccc2c1CC(=O)Nc1scc(Br)c1-c1ncn[nH]1
Fc1cccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)c1
Fc1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
Fc1cccc(Cl)c1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1
Fc1cccc(Nc2cc(ncn2)-n2cccn2)c1
Fc1cccc(c1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Fc1cccc(c1)C(=O)N1CCCC(C1)C(=O)N1CCCC1
Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Fc1cccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc12
Fc1ccccc1C(=O)Nc1sc2CCCCc2c1C#N
Fc1ccccc1CCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
Fc1ccccc1CN1C(=O)C(N=O)c2ccccc12
Fc1ccccc1N1CCN(CC1)C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
Fc1ccccc1N1CCN(CCCNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Fc1ccccc1Nc1cc(ccn1)-c1ccnc(Nc2ccccc2F)c1
Fc1ccccc1Nc1nc2cnc(NC3CCCCC3)nc2n1C1CCCC1
Fc1cnc(Nc2ccc(cc2)N2CCOCC2)cc1-c1ccn(CCN2CCOCC2)n1
Fc1cnc(Nc2ccc(cc2)N2CCOCC2)cc1-c1ccn(CCc2ccccc2)n1
Fc1cnc(Nc2ccc(cc2)N2CCOCC2)cc1-c1ccn(Cc2ccccc2)n1
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.05,3.73,;2.38,2.95,;2.5,1.43,;4,1.09,;4.49,-.04,;4.79,2.42,;3.77,3.57,;4.03,4.78,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.1,3.76,;2.47,3.09,;3.52,4.21,;2.78,5.56,;1.27,5.27,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
Fc1cnc2c(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)cccc2c1
Fc1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)c2c1
Fc1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
Fc1cnccc1-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCCN2CCOCC2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCCn2cccn2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCCn2ccnc2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCN2CCCCC2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCN2CCOCC2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2ccccc2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2ccccn2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cnc[nH]2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCn2ccc3ccccc23)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCCn2cncn2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCc2ccccc2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCc2ccccn2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCc2cccnc2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCc2ccncc2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(NCc2nnn[nH]2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1
N#CC(c1nc2ccccc2s1)c1ccnc(n1)N1CCNCC1
N#CC(c1nc2ccccc2s1)c1ccnc(n1)N1CCOCC1
N#CC(c1nc2ccccc2s1)c1ccncn1
N#CCCC12CCCCC1=Nc1ccccc21 |c:10|
N#CCCSc1ncnc2c3ccccc3oc12
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
N#CCc1cnc(-c2ccc3OCCOc3c2)n1-c1ccnc(NC2CCCCC2)n1
N#CCc1cnc(-c2ccc3OCCOc3c2)n1-c1ccnc(NC2CCCNC2)n1
N#CCc1cnc(-c2ccc3OCCOc3c2)n1-c1ccnc(NC2CCOCC2)n1
N#CCc1cnc(-c2ccc3OCOc3c2)n1-c1ccnc(NC2CCCCC2)n1
N#CCc1cnc(-c2ccc3OCOc3c2)n1-c1ccnc(NC2CCCNC2)n1
N#CCc1cnc(-c2ccc3OCOc3c2)n1-c1ccnc(NC2CCOCC2)n1
N#CCc1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(NC2CCCCC2)n1
N#CCc1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(NC2CCCNC2)n1
N#CCc1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(NC2CCOCC2)n1
N#CCc1cnc(-c2ccc3ccccc3n2)n1-c1ccnc(NC2CCCCC2)n1
N#CCc1cnc(-c2ccc3ccccc3n2)n1-c1ccnc(NC2CCCNC2)n1
N#CCc1cnc(-c2ccc3ccccc3n2)n1-c1ccnc(NC2CCOCC2)n1
N#Cc1c(NCc2ccccc2)ccnc1NCc1cccnc1
N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)n1)N1CCOCC1
N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
N(c1ccc(cc1)-n1cncn1)c1nccc(n1)-c1ccccc1
N(c1ccccc1)c1ccc2c(n[nH]c2c1)-c1ccccc1
N(c1ccccn1)c1ccccc1Nc1ccccn1
NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
NC(=O)N1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@H]2CCN(C2)C(=O)C2CC2)n1 |r|
NC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCc12
NC(=O)c1c(NC(=O)Cc2cccs2)sc2CCCc12
NC(=O)c1cc(Br)cc2c3CCCCc3[nH]c12
NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccco1
NC(=O)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1
NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
NC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
NC(=O)c1ccccc1Nc1cc(Oc2ccc(Br)cc2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2ccc(F)cc2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2ccc(cc2)-c2cccnc2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2ccc(cc2)-n2cncn2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2ccc3OCOc3c2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2ccc3ccccc3c2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2cccc(Cl)c2)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1cc(Oc2cccc3ccccc23)ncc1C(F)(F)F
NC(=O)c1ccccc1Nc1ccnc(Oc2ccc(cc2)N2CCNCC2)c1
NC(=O)c1ccccc1Nc1ccnc(Oc2ccccc2)c1
NC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCCC2=O)ncc1Cl
NC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl
NC(=O)c1ccsc1NC(=O)C1CC1
NC(=O)c1ccsc1NC(=O)C1CCCCC1
NC(=O)c1ccsc1NC(=O)COc1ccccc1
NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO
NC(=O)c1ccsc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
NC(=O)c1ccsc1NC(=O)c1ccco1
NC(=O)c1ccsc1NC(=O)c1cccs1
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1
NC(=O)c1oc2ccccc2c1NC(=O)c1ccco1
NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
NC(=O)c1sccc1NC(=O)Cc1ccccc1
NC(c1cccc(Cl)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
NC1=C2C3C(SN=C3c3ccccc3C2=O)=CC1 |c:6,18,t:1|
NCCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
NCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1
NCc1ccc(cc1)C(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
NNc1nccc(n1)C(C#N)c1nc2ccccc2s1
NNc1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:17,21,23|
NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:14,16,21,25,27,t:12|
NOOSc1ccc(NC(=S)NCCCCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:24,26,31,35,37,t:22|
NS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
NS(=O)(=O)c1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
NS(=O)(=O)c1ccc(cc1)-c1cnc2cccc(Nc3ccc(Cl)cn3)c2c1
NS(=O)(=O)c1ccc(cc1)-c1cnc2cccc(Nc3ccccn3)c2c1
N[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(9.91,-2.33,;10.68,-1,;12.22,-1.01,;13,.33,;12.22,1.65,;10.69,1.66,;9.92,.33,;12.99,2.99,;14.53,2.99,;15.3,4.32,;16.83,4.32,;17.6,2.99,;19.1,2.68,;19.25,1.15,;20.59,.38,;21.92,1.15,;21.92,2.69,;20.59,3.46,;23.25,3.46,;24.59,2.7,;25.92,3.47,;24.59,1.15,;23.26,.38,;23.25,-1.16,;17.85,.52,;17.85,-1.02,;16.6,-1.92,;17.07,-3.38,;18.61,-3.39,;19.09,-1.93,;16.82,1.67,;15.3,1.67,)|
N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-8.05,-2.1,;-7.28,-.77,;-5.74,-.77,;-4.96,.56,;-5.74,1.89,;-7.27,1.89,;-8.04,.57,;-4.97,3.22,;-3.43,3.22,;-2.66,4.56,;-1.12,4.55,;-.36,3.22,;1.14,2.91,;1.29,1.38,;2.63,.61,;3.96,1.38,;3.96,2.92,;2.63,3.69,;5.29,3.7,;6.63,2.93,;6.63,1.38,;5.3,.61,;5.3,-.93,;-.11,.75,;-.11,-.78,;-1.36,-1.68,;-.89,-3.15,;.65,-3.15,;1.13,-1.69,;-1.14,1.9,;-2.66,1.9,)|
N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-5.55,-13.29,;-4.78,-11.95,;-3.24,-11.96,;-2.46,-10.62,;-3.24,-9.3,;-4.78,-9.29,;-5.55,-10.62,;-2.47,-7.96,;-.93,-7.96,;-.16,-6.63,;1.37,-6.63,;2.13,-7.96,;3.64,-8.27,;3.79,-9.8,;5.12,-10.57,;6.46,-9.8,;7.79,-10.58,;9.13,-9.8,;9.12,-8.25,;10.46,-7.48,;7.79,-7.49,;6.46,-8.26,;5.13,-7.49,;2.39,-10.43,;2.39,-11.97,;1.14,-12.87,;1.61,-14.33,;3.15,-14.34,;3.63,-12.88,;1.36,-9.29,;-.16,-9.28,)|
N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(6.38,-21.6,;7.16,-20.27,;6.39,-18.93,;7.16,-17.6,;8.7,-17.61,;9.48,-18.94,;8.7,-20.27,;9.47,-16.28,;11.01,-16.28,;11.78,-14.94,;13.31,-14.95,;14.07,-16.28,;15.58,-16.59,;15.73,-18.12,;17.06,-18.89,;18.4,-18.12,;19.73,-18.89,;21.07,-18.12,;21.06,-16.57,;19.73,-15.8,;18.4,-16.57,;17.07,-15.8,;14.33,-18.75,;14.33,-20.28,;13.08,-21.18,;13.55,-22.65,;15.09,-22.65,;15.57,-21.19,;13.3,-17.6,;11.77,-17.6,)|
N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)c2ccccc2Cl)c2ccccc12 |r,wU:1.0,wD:4.7,(45.09,-22.19,;43.75,-22.96,;43.75,-24.5,;42.42,-25.27,;41.1,-24.49,;41.08,-22.96,;42.42,-22.19,;39.77,-25.27,;38.43,-24.5,;37.09,-25.28,;35.76,-24.51,;35.76,-22.97,;37.1,-22.2,;38.43,-22.97,;37.09,-20.66,;38.42,-19.89,;38.42,-18.35,;37.08,-17.58,;35.75,-18.36,;35.76,-19.9,;34.43,-20.67,;33.1,-19.9,;33.09,-18.35,;31.75,-17.59,;30.43,-18.36,;29.09,-17.59,;27.75,-18.36,;28.51,-19.69,;26.98,-19.68,;26.42,-17.59,;26.43,-16.05,;25.1,-15.28,;23.76,-16.05,;23.77,-17.59,;25.1,-18.36,;25.11,-19.9,;30.42,-19.9,;29.09,-20.67,;29.09,-22.21,;30.44,-22.98,;31.76,-22.2,;31.76,-20.67,)|
N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 |r,wU:1.0,wD:4.7,(70.01,-31.83,;70.01,-30.29,;68.68,-29.52,;68.68,-27.99,;70.01,-27.22,;71.35,-27.97,;71.35,-29.52,;70.01,-25.68,;68.67,-24.91,;67.33,-25.69,;65.99,-24.92,;65.99,-23.38,;67.33,-22.61,;68.66,-23.37,;67.33,-21.07,;68.66,-20.3,;68.66,-18.76,;67.31,-17.99,;65.98,-18.76,;66,-20.3,;64.66,-21.07,;63.33,-20.31,;63.32,-18.75,;61.98,-17.99,;60.65,-18.76,;59.32,-17.99,;57.99,-18.76,;57.83,-20.29,;56.32,-20.61,;55.56,-21.94,;54.02,-21.94,;53.24,-20.61,;54.01,-19.27,;55.55,-19.27,;56.58,-18.13,;60.65,-20.31,;59.32,-21.08,;59.32,-22.62,;60.67,-23.39,;61.99,-22.61,;61.99,-21.08,)|
N[C@H]1CC[C@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 |r,wU:4.7,1.0,(18.1,-43.96,;18.1,-42.42,;16.76,-41.64,;16.76,-40.11,;18.1,-39.34,;19.44,-40.1,;19.43,-41.64,;18.09,-37.8,;16.75,-37.03,;15.41,-37.81,;14.08,-37.04,;14.08,-35.5,;15.42,-34.73,;16.75,-35.5,;15.41,-33.19,;16.74,-32.42,;16.74,-30.88,;15.4,-30.11,;14.07,-30.89,;14.08,-32.42,;12.75,-33.2,;11.41,-32.43,;11.41,-30.88,;10.07,-30.11,;8.74,-30.88,;7.4,-30.11,;6.07,-30.88,;5.91,-32.41,;4.4,-32.73,;3.64,-34.06,;2.11,-34.07,;1.33,-32.73,;2.1,-31.4,;3.63,-31.4,;4.66,-30.25,;8.74,-32.43,;7.41,-33.2,;7.41,-34.74,;8.75,-35.51,;10.08,-34.73,;10.07,-33.2,)|
Nc1c(C(=O)NCc2ccc3OCOc3c2)c2nc3ccccc3nc2n1-c1ccc(N)cc1
Nc1c(sc2nc3CCCCc3c(-c3ccco3)c12)C#N
Nc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
Nc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Nc1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
Nc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Nc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Nc1cccc(c1)C(=O)\C=C1/Nc2ccccc2NC1=O
Nc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Nc1ccccc1C(=O)\C=C1/Nc2ccccc2NC1=O
Nc1ccccc1Nc1cc(ccn1)-c1ccnc(Nc2ccccc2N)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Nc1nc(SCc2ccncc2)c(C#N)c(-c2cccs2)c1C#N
Nc1nc(cc(n1)-c1ccccc1O)-c1ccccc1
Nc1nc2CCCCCc2c(-c2ccco2)c1C#N
Nc1nccc(n1)C(C#N)c1nc2ccccc2s1
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
Nc1onc(c1-c1ccncn1)-c1ccc(F)cc1
O=C(C(C#N)c1ccccn1)c1ccco1
O=C(C1CC1)N1CCCC(C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2OCCOc2c1
O=C(C1CC1)N1CCCC(C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2OCOc2c1
O=C(C1CC1)N1CCCC(C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2c1
O=C(C1CC1)N1CCCC(C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2n1
O=C(C1CC1)N1CCCC(C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2occc2c1
O=C(C1CC1)N1CCC[C@H](C1)Nc1cc(ccn1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1 |r|
O=C(C1CC1)N1CCC[C@H](C1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1 |r|
O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCN(CC1)c1ccccc1 |(11.08,3.47,;11.08,1.93,;12.42,1.16,;13.75,1.93,;15.08,1.16,;15.08,-.39,;16.42,-1.16,;17.75,-.39,;17.75,1.16,;16.42,1.93,;19.08,1.93,;20.42,1.16,;21.8,1.98,;23.19,1.19,;23.19,-.42,;21.8,-1.21,;20.42,-.39,;19.08,-1.16,;19.08,-2.7,;13.75,-1.16,;12.42,-.39,;9.75,1.16,;8.41,1.93,;7.08,1.16,;7.08,-.39,;8.41,-1.16,;9.75,-.39,;5.75,-1.16,;4.41,-.39,;3.08,-1.16,;3.08,-2.7,;4.41,-3.47,;5.75,-2.7,)|
O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCN(CC1)c1ccccc1 |(11.08,3.47,;11.08,1.93,;12.42,1.16,;13.75,1.93,;15.08,1.16,;15.08,-.39,;16.42,-1.16,;17.75,-.39,;17.75,1.16,;16.42,1.93,;19.08,1.93,;20.42,1.16,;21.8,1.98,;23.19,1.19,;23.19,-.42,;21.8,-1.21,;20.42,-.39,;19.08,-1.16,;19.08,-2.7,;13.75,-1.16,;12.42,-.39,;9.75,1.16,;8.41,1.93,;7.08,1.16,;7.08,-.39,;8.41,-1.16,;9.75,-.39,;5.75,-1.16,;4.41,-.39,;3.08,-1.16,;3.08,-2.7,;4.41,-3.47,;5.75,-2.7,)|
O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCOCC1 |(7.08,3.08,;7.08,1.54,;8.41,.77,;9.75,1.54,;11.08,.77,;11.08,-.77,;12.42,-1.54,;13.75,-.77,;13.75,.77,;12.42,1.54,;15.08,1.54,;16.42,.77,;17.79,1.59,;19.19,.8,;19.19,-.8,;17.79,-1.59,;16.42,-.77,;15.08,-1.54,;15.08,-3.08,;9.75,-1.54,;8.41,-.77,;5.75,.77,;5.75,-.77,;4.41,-1.54,;3.08,-.77,;3.08,.77,;4.41,1.54,)|
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC2(CC1)OCCO2
O=C(CCCCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O)NCc1ccco1
O=C(CCCCCn1c(SCc2ccncc2)nc2ccccc2c1=O)NCc1ccco1
O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NC1CCCC1
O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccco1
O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N
O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(CN1C(=O)CCc2ccccc12)Nc1ccsc1-c1c[nH]cn1
O=C(CN1C(=O)CCc2ccccc12)Nc1ccsc1-c1cscn1
O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1ncn[nH]1
O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1nnc[nH]1
O=C(CN1C(=O)CCc2ccccc12)Nc1sccc1-c1ncn[nH]1
O=C(CN1C(=O)CCc2cnccc12)Nc1ccsc1-c1cscn1
O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nc2ccccc2s1
O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nc[nH]n1
O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nccs1
O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1
O=C(CN1CCOCC1)Nc1sc2CCCCc2c1C#N
O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(Cc1ccc(OCCCN2CCCCC2)cc1)Nc1ccsc1-c1cscn1
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1
O=C(Cc1ccc2OCCOc2c1)Nc1ccsc1-c1ncn[nH]1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1cc[nH]n1
O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1ccccn1
O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1ncn[nH]1
O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1nnc[nH]1
O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1nnco1
O=C(Cc1cccc2ccccc12)Nc1ccsc1-n1ccnc1
O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1
O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1ncco1
O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1nccs1
O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1ncn[nH]1
O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1
O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1
O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
O=C(Cc1cccc2cnccc12)Nc1scnc1-c1ncn[nH]1
O=C(Cc1cccc2cnccc12)Nc1scnc1-c1nnc[nH]1
O=C(Cc1cccc2ncccc12)Nc1ccsc1-c1ncn[nH]1
O=C(Cc1cccc2ncccc12)Nc1ccsc1-c1nnc[nH]1
O=C(Cc1cccc2ncccc12)Nc1scc(C#N)c1-c1cnccn1
O=C(Cc1cccc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1
O=C(Cc1ccccc1)Nc1sc2CCCCc2c1C#N
O=C(Cn1c2ccncc2ccc1=O)Nc1ccsc1-c1cscn1
O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(cc1)-c1nnc2CCCCCn12
O=C(N1CCN(CC1)c1ccccc1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
O=C(N1CCN(CC1)c1ccccn1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
O=C(NC1CC1)c1cccc(c1)-c1ccc2c(nncc2c1)N1CCOCC1
O=C(NC1CCCC1)Nc1sc2CCCCc2c1C#N
O=C(NC1CCCC1)c1cccnc1N1CCCCCC1
O=C(NC[C@@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r|
O=C(NCc1ccccn1)c1n[nH]c2ccccc12
O=C(NCc1cccnc1)c1cccc2CN(C3CCCCC3)C(=O)c12
O=C(NCc1nc2ccccc2[nH]1)c1cccs1
O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1
O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOCC1
O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)c1cccnc1
O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)c1ccco1
O=C(Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)C1CC1
O=C(Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1
O=C(Nc1ccc(cc1)-c1nc2cccnc2s1)c1ccco1
O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)C1CCOC1 |w:21.24|
O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccco1
O=C(Nc1cccc2C(=O)NC(=O)c12)C1CCCO1
O=C(Nc1ccccc1)c1c(Nc2ccccc2)[nH]c(=O)[nH]c1=O
O=C(Nc1ccccn1)c1nc[nH]c1C(=O)c1ccccc1
O=C(Nc1sc2CCCCc2c1C#N)C1CCCCC1
O=C(Nc1sc2CCCCc2c1C#N)Nc1cccc2ccccc12
O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
O=C(Nc1sc2CCCCc2c1C#N)c1ccccc1
O=C(Nc1sc2CCCCc2c1C#N)c1ccsc1
O=C(Nc1sc2CN(CCc2c1C#N)S(=O)(=O)c1ccccc1)c1cccc2ccccc12
O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
O=C(Nc1sc2N(CCCc2c1C#N)C(=O)c1ccn[nH]1)c1cccc2ccccc12
O=C(Nc1sc2N(CCCc2c1C#N)S(=O)(=O)c1ccccc1)c1cccc2ccccc12
O=C(Nc1sc2N(Cc3cccnc3)CCCc2c1C#N)c1cccc2ccccc12
O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
O=C(\C=C1/Nc2cc(ccc2NC1=O)C#N)c1cccc2ccccc12
O=C(\C=C1/Nc2ccccc2NC1=O)c1cccc2ccccc12
O=C(\C=C1/Nc2ccccc2NC1=O)c1ccccc1
O=C1C(C(=O)c2ccccc12)c1ccncc1
O=C1C2C(NC(=O)N=C2c2ccccc12)c1ccccc1 |c:7|
O=C1CCCc2nn(c(c12)-c1ccncc1)-c1ccccc1
O=C1COC2(C=CC(=O)C=C2)N1c1nc(nn1-c1ccccc1)-c1cccc2ccccc12 |c:5,9|
O=C1NC(=O)\C(S1)=C1\C(=O)Nc2ccccc12
O=C1Nc2ccccc2C1C=Nc1ccc2OCCOc2c1 |w:11.13|
O=C1Nc2ccccc2C1C=Nc1ccc2OCOc2c1 |w:11.13|
O=C1Nc2ccccc2C1C=Nc1nccs1 |w:11.13|
O=C1Nc2cccnc2Sc2ccccc12
O=C1c2ccccc2-c2[nH]nc3cccc1c23
O=C1c2ccccc2-c2n[nH]c3cccc1c23
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
O=NC1C(=O)N(Cc2ccccc2)c2ccccc12
O=NC1c2ccccc2-c2c1cccc2C(=O)N1CCCCC1
O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1
O=S(=O)(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
O=[#6]-1\[#6](=[#6]/[#7]-[#6]-c2cccnc2)-[#6](=O)-c2ccccc-12
O=c1[nH]c(=S)c2CCCc2n1-c1ccccc1
O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
O=c1[nH]c2ccccc2c(=O)n1Cc1ccco1
O=c1[nH]c2ccccc2c2nc3ccccn3c12
O=c1[nH]nc(-c2ccnc(NC3CC3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccnc(NC3CCC3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccnc(NC3CCCC3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccnc(Nc3ccccc3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccnc(Nc3ccccn3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccnc(Nc3cccnc3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccnc(Nc3nccs3)c2)n1-c1ccc2ccccc2c1
O=c1[nH]nc(-c2ccncc2)n1-c1ccc2ccccc2c1
O=c1cc(nc2[nH]c3ccccc3n12)-c1ccccc1
O=c1n(CC2CCOCC2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
O=c1n(CCCn2ccnc2)c(nc2ccccc12)-c1ccco1
O=c1n(Cc2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1
O=c1n(Cc2cccnc2)c(=S)[nH]c2ccccc12
O=c1n(Cc2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
O=c1n(nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1)C1CCOCC1
O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1
O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCNCC1
O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1
O=c1n2CCCCNc2nc2ccccc12
OC(=O)CCSc1ccc2ccccc2n1
OC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
OC(=O)CSc1ccc2ccccc2n1
OC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
OC(=O)\C=C/Sc1nc(c(-c2ccnc(Nc3ccccc3)c2)n1CC1CC1)-c1ccc(F)cc1
OC(=O)\C=C/Sc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
OC(=O)\C=C\Sc1nc(c(-c2ccnc(Nc3ccccc3)c2)n1CC1CC1)-c1ccc(F)cc1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
OC(=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
OC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
OC1C(=O)[C@@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1
OC1Cc2ccccc2C1NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1
OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(Cl)cc1
OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(F)c1
OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)cc1
OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F
OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1cccc(F)c1
OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1F
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1cccc(F)c1
OCCCN1c2ccccc2Nc2nnc(cc12)-c1ccccc1
OCCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
OCCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
OCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
OCCO\N=C1/c2ccccc2-c2nc3ccccc3nc12
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OC[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 |r|
OC[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
OC[C@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 |r|
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
OCc1sccc1NC(=O)Cc1ccccc1
OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;2.12,4.34,;1.93,3.21,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
O[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(nc2n1)C1CC1 |r,wU:4.7,wD:1.0,(-4,-7.39,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;4,-1.54,;5.46,-1.49,;4.68,-2.83,)|
O[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(nc2n1)N1CCCC1 |r,wU:4.7,wD:1.0,(-4,-7.4,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;4,-1.54,;5.38,-.9,;6.41,-2.05,;5.64,-3.38,;4.14,-3.06,)|
O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1 |r,wU:25.26,1.0,wD:4.7,(16.86,-3.04,;17.63,-1.71,;16.86,-.37,;17.63,.96,;19.17,.96,;19.95,-.37,;19.17,-1.71,;19.93,2.3,;21.47,2.3,;22.23,3.63,;23.77,3.63,;24.54,2.3,;26.04,1.99,;26.2,.47,;27.54,-.3,;28.87,.48,;28.86,2.01,;27.52,2.77,;30.18,2.79,;31.53,2.02,;32.86,2.8,;31.53,.48,;30.2,-.29,;30.2,-1.83,;24.81,-.16,;24.36,-1.63,;22.91,-2.14,;22.94,-3.68,;24.41,-4.13,;25.3,-2.86,;23.78,.98,;22.24,.98,)|
O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)|
O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-11.53,-21.51,;-10.75,-20.18,;-11.51,-18.84,;-10.74,-17.51,;-9.2,-17.52,;-8.43,-18.84,;-9.2,-20.18,;-8.44,-16.18,;-6.9,-16.18,;-6.13,-14.85,;-4.59,-14.85,;-3.83,-16.18,;-2.33,-16.49,;-2.17,-18.02,;-.84,-18.79,;.49,-18.03,;1.83,-18.8,;3.16,-18.02,;3.16,-16.47,;1.82,-15.71,;.5,-16.48,;-.84,-15.71,;-3.58,-18.65,;-3.58,-20.19,;-4.83,-21.09,;-4.36,-22.55,;-2.82,-22.56,;-2.34,-21.1,;-4.6,-17.51,;-6.13,-17.51,)|
O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1 |r,wU:1.0,wD:4.7,(27.93,-38.08,;26.61,-37.31,;25.27,-38.08,;23.94,-37.31,;23.94,-35.78,;25.26,-34.99,;26.6,-35.77,;22.6,-35.02,;21.27,-35.79,;19.93,-35.03,;18.61,-35.8,;18.61,-37.34,;19.94,-38.11,;21.28,-37.34,;19.94,-39.66,;21.19,-40.56,;20.71,-42.02,;19.17,-42.02,;18.7,-40.56,;17.37,-39.78,;16.04,-40.55,;14.72,-39.77,;14.72,-38.23,;16.07,-37.47,;17.38,-38.24,)|
O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
O\N=C1/c2ccccc2-c2nc3ccccc3nc12
O\N=C1/c2ccccc2-n2c1nc1ccccc1c2=O
O\N=C1\c2ccccc2-c2nc3cc(Cl)ccc3nc12
O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)C(O)=O
O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)[N+]([O-])=O
O\N=C1\c2ccccc2-c2nc3ccccc3nc12
O\N=C1\c2ccccc2-c2nc3ccncc3nc12
O\N=C1\c2ccccc2-c2nc3ncc(Cl)cc3nc12
O\N=C1\c2ccccc2-c2nc3ncccc3nc12
Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
Oc1c2cccc3[nH][nH]c(c23)c2ccccc12
Oc1cc(O)c2CC(OC(=O)c3ccc(O)c(O)c3O)C(Oc2c1)c1cc(O)c(O)c(O)c1
Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.34,-.85,;6.12,-.67,;5.04,-1.77,;3.68,-1.07,;3.89,.44,;5.4,.7,;2.26,-1.79,;2.13,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.36,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.58,3.76,;-2.94,3.04,;-2.99,1.5,;-1.68,.69,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.21,7.66,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.88,;3.52,6.58,;1.25,5.75,;-.25,6.14,)|
Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Oc1cc2C[C@@H]3c4cc(O)c(O)cc4C[C@H]4c5cc(O)c(O)cc5CC[N@@+]34c2cc1O |r|
Oc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Oc1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Oc1ccc2n(c(nc2c1)-c1ccc(Cl)c(Cl)c1)-c1ccnc(NC2CCCCC2)c1
Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCCCC2)c1
Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCCCC2)n1
Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCOCC2)c1
Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCOCC2)n1
Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)c1 |r|
Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|
Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(N[C@@H]2CCCNC2)c1 |r|
Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(NC4CCCCC4)n3)c2c1
Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(NC4CCOCC4)n3)c2c1
Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1 |r|
Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Oc1cccc(c1)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)c1 |r|
Oc1cccc(c1)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCNC2)c1 |r|
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2ccc(Cl)c(Cl)c2)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2ccc(F)cc2)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2ccc(Cl)c(Cl)c2)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2ccc(F)cc2)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1ccc(F)cc1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1cccc(c1)C(F)(F)F)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1ccccc1)-c1ccccc1
Oc1cccc2c1sc1nc3CCCCCn3c(=O)c21
Oc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1
Oc1ccccc1C1=Nc2ccccc2N=C(C1)c1ccco1 |c:17,t:8|
Oc1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc2OCCOc2c1
Oc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
On1c2c3ccccc3c(N=O)c2nc2ccccc12
S=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
S=c1[nH]nc(-c2ccnc(NCC3CC3)c2)n1-c1ccc2ccccc2c1
S=c1[nH]nc(-c2ccncc2)n1-c1ccc2ccccc2c1
S=c1[nH]nc(-c2ccncc2)n1-c1ccc2ncccc2c1
S=c1[nH]nc(-c2ccncc2)n1-c1cnc2ccccc2c1
Sc1nnc(o1)-c1cccc(Br)c1
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-c1ccco1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |t:1,4|
[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O |c:4,7|
[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:3,6|
[#6]-[#7]-1-[#6](-[#6])=[#6]\[#6](-[#6]=[#6]-1-[#6])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:3,6|
[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:2,5|
[#6]\[#6](-[#7]-[#6]-[#6]-[#6]-n1ccnc1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
[#6]\[#6](-[#7]-[#6]-c1cccnc1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
[#6]\[#6](-[#7]-[#6]-c1ccco1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
[#8]-c1ccccc1-[#7]\[#6]=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
[2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12 |r|
[2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)ccc12 |r|
[2H]C([2H])([2H])N1CC[C@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(cc1)C(=O)Nc1nncs1 |c:5,TLB:12:7:2:6.5,THB:9:8:2:6.5|
[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
[H][C@]1(C(C)O)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:11.13,1.0,TLB:2:1:7.6:9.10,THB:12:11:7.6:9.10,(-.64,1.54,;.13,.87,;1.58,1.51,;1.76,2.72,;2.54,.74,;1.38,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.67,-3.13,;-6.25,-1.7,;-5.29,-.49,;-5.75,.65,;-3.58,-4.78,;-4.4,-6.03,;-3.42,-7.22,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.27,;-.83,-4.26,;-2.1,-5.13,)|
[H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)|
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[O-][N+](=O)c1ccc(CCNc2nccc(n2)C(=C=[N-])c2[nH+]c3ccccc3s2)cc1
[O-][N+](=O)c1ccc(CN2C(=O)C(N=O)c3ccccc23)cc1
[O-][N+](=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
[O-][N+](=O)c1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
[O-][N+](=O)c1ccccc1CN1C(=O)C(N=O)c2ccccc12
[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
c1[nH]nc(c1-c1ccncc1)-c1ccc2ccccc2c1
c1cc(-c2ccc3ccccc3c2)n(n1)-c1ccncc1
c1cc(-c2ccncc2)n(n1)-c1ccc2ccccc2c1
c1cc(n[nH]1)-c1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
c1ccc(cc1)-c1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
c1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
c1ccc(cc1)-c1n[nH]c2ccccc12
c1ccc2c(c1)[nH]c1nc3ccccc3nc21
c1ccc2cc(ccc2c1)-c1[nH]nnc1-c1ccncc1
c1ccc2cc(ccc2c1)-c1ncncc1-c1ccncc1
c1ccc2cc(ccc2c1)-c1nnnn1-c1ccncc1
c1ccc2cc(ccc2c1)-n1nnnc1-c1ccncc1
c1cn(c(n1)-c1ccncc1)-c1ccc2ccccc2c1
c1csc(c1)-c1cnc2ccccc2n1
c1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
c1nnc2c1ccc1[nH]n(nc21)-c1ccccc1
c1nnn(c1-c1ccc2ccccc2c1)-c1ccncc1
c1nnn(c1-c1ccncc1)-c1ccc2ccccc2c1