483 SMILES Strings for Eukaryotic translation initiation factor 2-alpha kinase 3
Compound Name
SMILES String
C1c2c[nH]nc2-c2ccc(Nc3c(oc4cnccc34)-c3ncccn3)cc12
CC(=NN=C1SCC(=O)N1c1ccccc1)c1ccc(C)cc1 |w:3.2,1.17|
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
CC(=O)OCc1cc(Cl)cc(c1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
CC(=O)OCc1cc(Cl)cc(c1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3COC3)c3ncnc(N)c23)c1F
CC(=O)c1cc2OCOc2cc1N
CC(=O)c1ccc(NN=C2CCCNC2=O)cc1 |w:8.7|
CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC#N)CC1
CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
CC(C)(C)C(=O)C(=C\c1cccc(c1)[N+]([O-])=O)\n1cncn1
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CC(C)(C)N1CCC1CN
CC(C)(C)NS(=O)(=O)c1cccc2nsnc12
CC(C)(C)c1ccc(cc1)C(=O)Oc1ccccc1CCC(O)=O
CC(C)(C)n1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F)c2c(N)ncnc12
CC(C)C(=O)NNc1ccc(cn1)C(F)(F)F
CC(C)C(=O)Nc1ccc2n(C)c(CCN3CCN(C)CC3)nc2c1
CC(C)Cc1cc(no1)C(=O)NCc1cccs1
CC(C)Cn1c(nc2ccccc12)S(O)(=O)=O
CC(C)N(C(C)C)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
CC(C)NC(=O)c1cc(cnc1C)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)Cc2ccccc2)cc1C
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)Nc2ccccc2)cc1C
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)Oc2ccccc2)cc1C
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@@H](O)c2cc(F)cc(F)c2)cc1C |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@@](C)(O)c2ccccc2)cc1C |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](N)c2ccccc2)cc1C |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1 |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1Cl |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1F |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cccc(C)c2)cc1C |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cccc(Cl)c2)cc1C |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2ccccc2)cc1C |r|
CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@](C)(O)c2ccccc2)cc1C |r|
CC(C)NC(=O)c1cc(nnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CC(C)NC(=O)c1cncc(c1)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CC(C)NC(=O)c1nc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c(O)c1
CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c2[nH]ncc12
CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc-2c(Cc3c[nH]nc-23)c1
CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc2C(NO)=NCc2c1 |c:24|
CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CC(C)OC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CC(C)Oc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
CC(C)n1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F)c2c(N)ncnc12
CC(C)n1nnnc1-c1cc(Cl)cc(Cl)c1
CC(NS(=O)(=O)c1ccccc1)c1n[nH]c(=S)n1-c1ccccc1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(Cl)cc(Cl)c1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ncc1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)c(Cl)c1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)cc1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(F)c(Cl)c1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(N)c1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(c1)C(F)(F)F
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccnc1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccncc1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cn[nH]c1C(F)(F)F
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1c(F)cccc1Cl |(5.58,-5.06,;4.81,-3.73,;6.3,-3.33,;3.48,-4.5,;2.14,-3.73,;2.14,-2.19,;3.48,-1.42,;4.81,-2.19,;.81,-1.42,;.81,.12,;-.52,.89,;-1.86,.12,;-3.32,.6,;-4.23,-.65,;-3.32,-1.89,;-1.86,-1.42,;-.52,-2.19,;-3.72,2.09,;-2.63,3.18,;-1.14,2.78,;-3.03,4.66,;-4.52,5.06,;-5.61,3.97,;-5.21,2.48,;-6.3,1.4,)|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(Cl)cc(Cl)c1
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ccc1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)c(Cl)c1
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)cc1
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(F)c(Cl)c1
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(F)c1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(N)c1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(c1)C(F)(F)F
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccnc1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cn[nH]c1C(F)(F)F
CC1CC(C)c2ccc(C)c(C)c2N1
CCC(C(=O)Nc1cccc(C(O)=O)c1C)c1ccccc1
CCC(C)(C)C(=O)OCc1cc(Cl)cc(c1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
CCC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl
CCCCc1c(C)nc2c(OC)cccc2c1SCC(O)=O
CCCOC(=O)CCCN1C(=S)S\C(C1=O)=C1\SC(=S)N(CCCC(=O)OCCC)C1=O
CCCc1nc2ccccc2c(=O)n1N
CCCn1cnc2c1nc(N)[nH]c2=S
CCN1C(=O)N(Cc2cnc(cc12)-c1cc(NC(=O)C=C)ccc1F)c1c(Cl)c(OC)cc(OC)c1Cl
CCN1C(=O)N(Cc2cnc(cc12)-c1ccc2OCCN(C(=O)C=C)c2c1)c1c(Cl)c(OC)cc(OC)c1Cl
CCN1C(=O)N(Cc2cnc(cc12)-c1cccc(NC(=O)C=C)c1)c1c(Cl)c(OC)cc(OC)c1Cl
CCN1CC(=O)Nc2cc(ccc12)S(=O)(=O)N1CCOCC1
CCN1CCC(CC1)n1cc(-c2cccc(NS(=O)(=O)c3ccc(OC)c(C)c3)c2F)c2c(N)ncnc12
CCNC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CCOC(=O)c1c(C)noc1-c1ccc(Br)o1
CCOC(=O)c1c(C)oc2ccc(O)cc12
CCOC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c(O)c1
CCOC(=O)c1oc2cnccc2c1Nc1ccc2C(=O)CCc2c1
CCOC(=O)c1oc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(N)cccc2c1
CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(O)c(F)ccc2c1
CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1
CCOC(=O)c1oc2cnccc2c1Nc1cnc2ccccc2c1
CCOc1cc(cc(Br)c1OC)C(N)=O
CCOc1cc(ccc1O)C1NC(=S)N=C(C)C1C(=O)Nc1ccc(OC)cc1 |t:15|
CCOc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
CCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1
CCSc1nnc(NC(=O)c2cc(n[nH]2)-c2ccccc2O)s1
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|
CCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(=O)NC(C)C |r|
CCc1ccc(cc1)-n1c(SCC(=O)N2Cc3ccccc3CC2C(O)=O)nnc1-c1ccncc1
CCc1cccc(C)c1NC(=O)Nc1ccc2OCOc2c1
CCc1cccc(c1)[C@@H](O)C(=O)Nc1ccc(c(C)c1)-c1cnc(N)c(c1)C(=O)NC(C)C |r|
CCc1n[nH]c2c(Cl)ccc(Nc3c(oc4cnccc34)-c3ncccn3)c12
CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1cc(NC(=O)C=C)ccc1C |(4,1.54,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,3.85,;,5.39,;-1.33,6.16,;-2.67,5.39,;-1.33,7.7,;-2.67,8.47,;-4,7.7,;,8.47,;1.33,7.7,;2.67,8.47,;2.67,10.01,;1.33,6.16,;2.67,5.39,;1.33,3.08,;2.67,3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;1.33,-7.7,;,-8.47,;2.67,-8.47,;2.67,-10.01,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4,-3.08,)|
CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1cc(NC(=O)C=C)ccc1OC |(4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;.67,5.39,;-.67,6.16,;-2,5.39,;-.67,7.7,;-2,8.47,;-3.33,7.7,;.67,8.47,;2,7.7,;3.33,8.47,;3.33,10.01,;2,6.16,;3.33,5.39,;2,3.08,;3.33,3.85,;-.67,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;.67,-8.47,;3.33,-8.47,;3.33,-10.01,;-.67,-6.16,;-2,-5.39,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,)|
CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1cc2N(C(C)COc2cc1F)C(=O)C=C |(3.33,.77,;2,,;.67,.77,;-.67,,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-3.33,,;-2,.77,;-2,2.31,;-.67,3.08,;-.67,4.62,;-2,5.39,;-3.33,4.62,;-2,6.93,;-3.33,7.7,;-4.67,6.93,;-.67,7.7,;.67,6.93,;2,7.7,;2,9.24,;.67,5.39,;2,4.62,;.67,2.31,;2,3.08,;-2,-3.85,;-.67,-4.62,;-.67,-6.16,;.67,-6.93,;.67,-8.47,;2,-9.24,;-.67,-9.24,;-2,-8.47,;-2,-6.93,;-3.33,-6.16,;-3.33,-4.62,;-4.67,-3.85,;2,-6.16,;2,-4.62,;3.33,-6.93,;4.67,-6.16,)|
CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1ccc2OC(C)(C)CN(C(=O)C=C)c2c1 |(5.33,1.44,;4,.67,;2.67,1.44,;1.33,.67,;1.33,-.87,;,-1.64,;-1.33,-.87,;-1.33,.67,;,1.44,;,2.98,;1.33,3.75,;1.33,5.29,;,6.06,;-1.33,5.29,;,7.6,;-1.33,8.37,;-2.67,7.6,;1.33,8.37,;2.67,7.6,;4,8.37,;4,9.91,;2.67,6.06,;4,5.29,;2.67,2.98,;4,3.75,;,-3.18,;1.33,-3.95,;1.33,-5.49,;,-6.26,;,-7.8,;-1.33,-8.57,;-2.1,-9.91,;-.56,-9.91,;-2.67,-7.8,;-2.67,-6.26,;-4,-5.49,;-4,-3.95,;-5.33,-6.26,;-5.33,-7.8,;-1.33,-5.49,;-1.33,-3.95,)|
CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1ccc2OCCN(C(=O)C=C)c2c1 |(5.33,.77,;4,,;2.67,.77,;1.33,,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;-1.33,,;,.77,;,2.31,;1.33,3.08,;1.33,4.62,;,5.39,;-1.33,4.62,;,6.93,;-1.33,7.7,;-2.67,6.93,;1.33,7.7,;2.67,6.93,;4,7.7,;4,9.24,;2.67,5.39,;4,4.62,;2.67,2.31,;4,3.08,;,-3.85,;1.33,-4.62,;1.33,-6.16,;,-6.93,;,-8.47,;-1.33,-9.24,;-2.67,-8.47,;-2.67,-6.93,;-4,-6.16,;-4,-4.62,;-5.33,-6.93,;-5.33,-8.47,;-1.33,-6.16,;-1.33,-4.62,)|
CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1cccc(NC(=O)C=C)c1 |(6,-.39,;4.67,-1.16,;3.33,-.39,;2,-1.16,;2,-2.7,;.67,-3.47,;-.67,-2.7,;-.67,-1.16,;.67,-.39,;.67,1.15,;2,1.92,;2,3.46,;.67,4.23,;-.67,3.46,;.67,5.77,;-.67,6.54,;-2,5.77,;2,6.54,;3.33,5.77,;4.67,6.55,;4.67,8.09,;3.33,4.23,;4.67,3.47,;3.33,1.15,;4.67,1.92,;.67,-5.01,;2,-5.78,;2,-7.32,;.67,-8.09,;-.67,-7.32,;-2,-8.09,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-8.09,;-6,-7.32,;-.67,-5.78,)|
CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1ccccc1NC(=O)C=C |(-6,-.38,;-4.67,-1.15,;-3.33,-.38,;-2,-1.15,;-2,-2.69,;-.67,-3.47,;.67,-2.69,;.67,-1.15,;-.67,-.38,;-.67,1.15,;-2,1.93,;-2,3.47,;-.67,4.23,;.67,3.47,;-.67,5.78,;.67,6.54,;2,5.78,;-2,6.54,;-3.33,5.78,;-4.67,6.54,;-4.67,8.08,;-3.33,4.23,;-4.67,3.47,;-3.33,1.15,;-4.67,1.93,;-.67,-5,;-2,-5.78,;-2,-7.31,;-.67,-8.08,;.67,-7.31,;.67,-5.78,;2,-5,;3.33,-5.77,;3.33,-7.31,;4.67,-5,;6,-5.77,)|
CCn1c2cc(ncc2cc(-c2c(F)c(OC)cc(OC)c2Cl)c1=O)-c1cc(NC(=O)C=C)ccc1F |(4,1.54,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,3.85,;,5.39,;-1.33,6.16,;-2.67,5.39,;-1.33,7.7,;-2.67,8.47,;-4,7.7,;,8.47,;1.33,7.7,;2.67,8.47,;2.67,10.01,;1.33,6.16,;2.67,5.39,;1.33,3.08,;2.67,3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;1.33,-7.7,;,-8.47,;2.67,-8.47,;2.67,-10.01,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4,-3.08,)|
CCn1c2cc(ncc2cc(-c2cc(OC)cc(OC)c2Cl)c1=O)-c1cc(NC(=O)C=C)ccc1F
CCn1c2cc(ncc2cc(-c2cc(ccc2Cl)C(=O)NOC)c1=O)-c1ccccc1NC(=O)C=C
CCn1c2nc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1cc(NC(=O)C=C)ccc1F |(4,1.54,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,3.85,;,5.39,;-1.33,6.16,;-2.67,5.39,;-1.33,7.7,;-2.67,8.47,;-4,7.7,;,8.47,;1.33,7.7,;2.67,8.47,;2.67,10.01,;1.33,6.16,;2.67,5.39,;1.33,3.08,;2.67,3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;1.33,-7.7,;,-8.47,;2.67,-8.47,;2.67,-10.01,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4,-3.08,)|
CCn1c2nc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1ccc2CCN(C(=O)C=C)c2c1 |(5.19,.45,;3.86,-.32,;2.53,.45,;1.19,-.32,;1.19,-1.86,;-.14,-2.63,;-1.47,-1.86,;-1.47,-.32,;-.14,.45,;-.14,1.99,;1.19,2.76,;1.19,4.3,;-.14,5.07,;-1.47,4.3,;-.14,6.61,;-1.47,7.38,;-2.81,6.61,;1.19,7.38,;2.53,6.61,;3.86,7.38,;3.86,8.92,;2.53,5.07,;3.86,4.3,;2.53,1.99,;3.86,2.76,;-.14,-4.17,;1.19,-4.94,;1.19,-6.48,;-.14,-7.25,;-.46,-8.76,;-1.99,-8.92,;-2.62,-7.51,;-4.11,-7.11,;-5.19,-8.2,;-4.5,-5.63,;-3.42,-4.54,;-1.47,-6.48,;-1.47,-4.94,)|
CCn1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)c(OC)cc3F)c2F)c2c(N)ncnc12
CN(C)C(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CN(C)CC(c1ccccc1)c1ccccc1
CN(C)CCNc1[nH]c(=O)nnc1C
CN(C)\C=C\NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
CN1CCC(CC1)n1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F)c2c(N)ncnc12
CN1CCC(CC1)n1cc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3F)c2F)c2c(N)ncnc12
CN1CCC(CC1)n1cc(-c2cccc(NS(=O)(=O)c3ccc(Br)s3)c2F)c2c(N)ncnc12
CN1CCC(CC1)n1cc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2F)c2c(N)ncnc12
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
CN1CCN(CCNC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
CN1CCN(Cc2cnc(nc2)-c2oc3cnccc3c2Nc2ccc3c(O)cccc3c2)CC1
CN1CCOCCOCCN(C)C(=O)N2CCOCCOCCN(CCOCC2)C1=O
CN1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
CN=CCNC(=O)c1oc2cnccc2c1Nc1ccc-2c(Cc3c[nH]nc-23)c1 |w:1.0|
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
CNC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CNC(=O)c1nc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
CNc1nc2ccc(cc2s1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N
CNc1ncc(cc1C(=O)NC(C)C)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r|
CNc1ncc2c(Cl)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1
CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1
CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |(-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-5.33,3.08,;-4,3.85,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,6.16,;2.67,6.16,;2.67,7.7,;1.33,8.47,;4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;2.67,3.08,;2.67,1.54,;,1.54,;1.33,.77,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;1.33,-5.39,;2.67,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;5.33,-6.16,;6.67,-5.39,;5.33,-7.7,;6.67,-8.47,;-2.67,1.54,;-4,.77,)|
CNc1ncc2cc(ccc2n1)-c1c(C)ccc(C(=O)Nc2ccc(OC)c(c2)C(F)(F)F)c1N
CNc1ncc2ccc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1
CNc1ncc2ccc(Oc3cc(ccc3C)C(=O)c3c(-c4ccccc4)n(C)n(-c4ccccc4)c3=O)cc2n1
CNc1ncc2ccc(Oc3cc(ccc3Cl)C(=O)c3c(-c4ccccc4)n(C)n(-c4ccccc4)c3=O)cc2n1
CNc1ncc2ccc(Oc3cc(ccc3N)C(=O)c3c(-c4ccccc4)n(C)n(-c4ccccc4)c3=O)cc2n1
CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl
CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1Cl
CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|
COC(=O)C(NC(C)=O)(Nc1ccc(C)cn1)C(F)(F)F
COC(=O)Cc1ccc(NC(=S)NNC(=O)C2CC2)cc1
COC(=O)Cc1n[nH]c(=O)c2ccccc12
COC(=O)c1ccc(OCCOc2ccc(cc2)C(=O)OC)cc1
COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1CO
COCCNC(=O)c1c[nH]n2c1nc(cc2=O)C1CCN(CC1)C(=O)OC(C)(C)C
COCCOC(=O)C(CC(O)=O)NCc1ccco1
COCCn1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F)c2c(N)ncnc12
COCc1cc(Cl)cc(c1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
CO[C@@H](C(=O)Nc1ccc(c(C)c1)-c1cnc(N)c(c1)C(=O)NC(C)C)c1ccccc1 |r|
COc1c(C)cc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1c(CO)cc(Cl)cc1S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1cc(Cl)cc(c1)-c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
COc1cc(F)c(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1C)S(=O)(=O)Nc1cccc(-c2csc3ncnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C(C)C)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1C#N
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCOCC3)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2csc3ccnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C3CCN(C)CC3)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C3CCN(CC3)C(=O)OC(C)(C)C)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C3CCN(CC3)C(C)C)c3ncnc(N)c23)c1F
COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C3CCNCC3)c3ncnc(N)c23)c1F
COc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(=O)NC(C)C |r|
COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(cc2n(C(C)C)c1=O)-c1cc(NC(=O)C=C)ccc1F |(-2,10.01,;-2,8.47,;-.67,7.7,;.67,8.47,;2,7.7,;3.33,8.47,;4.67,7.7,;2,6.16,;3.33,5.39,;.67,5.39,;-.67,6.16,;-2,5.39,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;4.67,1.54,;3.33,-.77,;2,3.08,;3.33,3.85,;-.67,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-2,-8.47,;-4.67,-8.47,;-4.67,-10.01,;-.67,-6.16,;.67,-5.39,;.67,-3.85,;2,-3.08,)|
COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(cc2n(C(C)C)c1=O)-c1ccccc1NC(=O)C=C |(-4,8.09,;-4,6.54,;-2.67,5.77,;-1.33,6.54,;,5.77,;1.33,6.55,;2.67,5.78,;,4.23,;1.33,3.47,;-1.33,3.46,;-2.67,4.23,;-4,3.46,;-1.33,1.92,;-2.67,1.15,;-2.67,-.39,;-4,-1.16,;-4,-2.7,;-2.67,-3.47,;-1.33,-2.7,;-1.33,-1.16,;,-.39,;1.33,-1.16,;2.67,-.38,;1.33,-2.69,;,1.15,;1.33,1.92,;-2.67,-5.01,;-4,-5.78,;-4,-7.32,;-2.67,-8.09,;-1.33,-7.32,;-1.33,-5.78,;,-5,;1.33,-5.77,;1.33,-7.31,;2.67,-5,;4,-5.77,)|
COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(cc2n(C)c1=O)-c1cc(NC(=O)C=C)ccc1F |(-2,10.01,;-2,8.47,;-.67,7.7,;.67,8.47,;2,7.7,;3.33,8.47,;4.67,7.7,;2,6.16,;3.33,5.39,;.67,5.39,;-.67,6.16,;-2,5.39,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;2,3.08,;3.33,3.85,;-.67,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-2,-8.47,;-4.67,-8.47,;-4.67,-10.01,;-.67,-6.16,;.67,-5.39,;.67,-3.85,;2,-3.08,)|
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(ncc2c1)-c1c(F)cccc1NC(=O)C=C
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(ncc2c1)-c1cc2N(CCOc2cc1C)C(=O)C=C
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(ncc2c1)-c1cc2N(CCOc2cc1F)C(=O)C=C
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(ncc2c1)-c1cc2N(CCc2cc1F)C(=O)C=C
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(ncc2c1)-c1ccc2OC(C)(C)CN(C(=O)C=C)c2c1
COc1cc(OC)c(F)c(c1)-c1cc2cnc(cc2n(C(C)C)c1=O)-c1cc(NC(=O)C=C)ccc1F
COc1cc(OC)c(F)c(c1F)-c1cc2cnc(cc2n(C(C)C)c1=O)-c1cc(NC(=O)C=C)ccc1F |(-2,10.01,;-2,8.47,;-.67,7.7,;.67,8.47,;2,7.7,;3.33,8.47,;4.67,7.7,;2,6.16,;3.33,5.39,;.67,5.39,;-.67,6.16,;-2,5.39,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;3.33,-.77,;4.67,1.54,;2,3.08,;3.33,3.85,;-.67,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-2,-8.47,;-4.67,-8.47,;-4.67,-10.01,;-.67,-6.16,;.67,-5.39,;.67,-3.85,;2,-3.08,)|
COc1cc(OC)cc(c1)-c1cc2cnc(cc2n(C(C)C)c1=O)-c1cc(NC(=O)C=C)ccc1F
COc1cc(c(F)cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1cc(cc2sc(NC(=O)C(C)(C)C)nc12)[N+]([O-])=O
COc1cc(ccc1Cl)-c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
COc1cc(ccc1Nc1ncc2CC(C)(C)c3c(noc3C(N)=O)-c2n1)C(=O)NC1CCN(C)CC1
COc1cc(ccc1Nc1ncc2c(n1)-c1onc(C(=O)N[C@@H](CN)c3ccccc3)c1CC2(C)C)C(=O)NC1CCN(C)CC1
COc1cc(ccc1Nc1ncc2c(n1)-c1onc(C(N)=O)c1CC2(C)C)C(=O)NC1CCN(C)CC1
COc1cc(ccc1O)C(C#N)N1CCOCC1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3c(C)[nH]c4c(F)cccc34)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3c(C)[nH]c4cc(F)ccc34)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3c(C)[nH]c4ccccc34)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3c[nH]c4ccccc34)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3ccn(C)n3)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3coc4ccccc34)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cn3c(C)cc4ccc(F)cc34)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cn3ccc4ccccc34)c2cc1OC
COc1cc2ncnc(Nc3ccc4N(CCc4c3F)C(=O)Cc3c(C)[nH]c4ccccc34)c2cc1OC
COc1ccc(CNc2nccc(C(=O)c3ncc(nc3Cl)N3CCC(C)(CC3)[C@@H](C)NS(=O)C(C)(C)C)c2Cl)cc1
COc1ccc(Nc2nnc(C)c(=O)[nH]2)c(OC)c1
COc1ccc(\C=C\C(=O)N[C@@H](C)C(O)=O)cc1
COc1ccc(cc1)-c1csc(NC(=O)CSc2nc(C)cs2)n1
COc1ccc(cc1)C(=O)NCC(=O)OC1CCCCC1=O
COc1ccc(cc1)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1ccc(cc1)\N=N\c1n(C)c2ccccc2[n+]1C
COc1ccc(cc1Br)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1ccc(cc1C#N)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F
COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(CC3)C(C)C)c3ncnc(N)c23)c1F
COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(CC3)C3CC3)c3ncnc(N)c23)c1F
COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCNCC3)c3ncnc(N)c23)c1F
COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCOCC3)c3ncnc(N)c23)c1F
COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2nn(C)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C(C)C)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(CC3)C(C)C)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(CC3)C3CC3)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCOCC3)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C3CCN(C)CC3)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C3CCN(CC3)C(=O)OC(C)(C)C)c3ncnc(N)c23)c1F
COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C3CCNCC3)c3ncnc(N)c23)c1F
COc1ccc(cc1OC)C(=O)Cc1ccccc1
COc1ccc(cc1OC)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1ccc(cn1)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
COc1ccc2c3ccc(O)cc3oc(=O)c2c1
COc1ccc2nc(NC(=O)CSc3nnc(C)n3N)sc2c1
COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl
COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|
COc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)c1
COc1ccccc1NC(=O)CSc1nnc(CCC(=O)Nc2ccccc2F)n1C
C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1ccccc1
C\N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1C
Cc1c(CO)cc(Cl)cc1S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
Cc1c(Cl)cccc1-c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
Cc1c(O)ccc2c3CCCCc3c(=O)oc12
Cc1c(O)n2c(nc1=O)sc1ccccc21
Cc1c[nH]c(=O)c(c1)[N+]([O-])=O
Cc1cc(C)c(N=C2NS(=O)(=O)c3ccccc23)c(C)c1 |w:6.5|
Cc1cc(C)c(NC(=O)NC(=O)C(Cl)(Cl)Cl)c(C)c1
Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
Cc1cc(C)n(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1
Cc1cc(C)n(n1)C(=O)c1ccc2OCOc2c1
Cc1cc(CO)c(Cl)c(c1)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
Cc1cc(NC(=O)C(O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(O)=O
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1ccc(N)nc1 |r|
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(=O)NC(C)(C)C |r|
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(=O)NC1CC1 |r|
Cc1cc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c2c1Cl
Cc1cc(\C=C2\C(=N)N3C(SN=C3S(C)(=O)=O)=NC2=O)c(C)n1-c1ccccc1F |c:11,17,(7.82,-3.33,;8.44,-1.92,;9.95,-1.6,;10.11,-.07,;11.45,.7,;12.78,-.07,;14.11,.7,;14.11,2.24,;15.45,-.07,;15.45,-1.61,;16.9,-2.08,;17.8,-.84,;16.9,.4,;17.38,1.86,;17.86,3.33,;18.85,1.39,;15.92,2.34,;14.11,-2.38,;12.78,-1.61,;11.45,-2.38,;8.71,.56,;8.39,2.06,;7.67,-.59,;6.14,-.43,;5.52,.98,;3.99,1.14,;3.08,-.1,;3.71,-1.51,;5.24,-1.67,;5.86,-3.08,)|
Cc1cc(ccc1Br)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F
Cc1cc2c(NC(=O)Nc3ccc(F)cc3)cccc2nn1
Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(CF)sc2c1
Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(N)sc2c1
Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(sc2c1)C(F)(F)F
Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(sc2c1)C(F)F
Cc1ccc(C)c(OCC(=O)Nc2cc(cc(c2)C(O)=O)C(O)=O)c1
Cc1ccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)cc1
Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c(=O)[nH]2)cc1
Cc1ccc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c12
Cc1ccc(cc1)-c1cc(N)n(n1)-c1ccc(F)cc1
Cc1ccc2cc(CN=Nc3nc4ccccc4[nH]3)c(Cl)nc2c1 |w:9.9|
Cc1ccc2cc(ccc2n1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N
Cc1cccc(C=Nn2c(n[nH]c2=S)-c2ccco2)c1 |w:7.7|
Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
Cc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)c1
Cc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1
Cc1ccccc1CC(=O)N1CCc2cc(ccc12)-c1cn(C)c2ncnc(N)c12
Cc1ccccc1CON=Cc1[nH]ncc1Br |w:9.9|
Cc1ccccc1NC(=O)NCCCN1CCCC1
Cc1ccn(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1
Cc1ccnc(NS(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)c1
Cc1ccnn1CC(=O)N1CCc2cc(ccc12)-c1cn(C)c2ncnc(N)c12
Cc1csc2c1nc(NC(=O)c1ccc(F)cc1)sc2=O
Cc1csc2nc(CNC(=O)CCC(O)=O)cn12
Cc1cscc1NC(=O)\C=C\C(O)=O
Cc1nc(N)c2c(cn(C)c2n1)-c1ccc2N(CC(=O)c3cc(F)cc(c3)C(F)(F)F)CCc2c1
Cc1nc(cn1CCC#N)[N+]([O-])=O
Cc1nc2cc(ccc2s1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N
Cc1nc2ccc(cc2s1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N
Cc1ncc2ccc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1
Cc1ncccc1-c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
Cc1ncccc1-c1n[nH]c2nc(cnc12)N1CCC2(CCC[C@H]2N)CC1 |r|
Cc1nnc(SCC(=O)NC2CCCC2)s1
Cc1nsc(N)c1C(O)=O
Cl.CCC1(OC(=O)CN)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Clc1cc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c2c1
Clc1ccc(-c2ccc(C=O)[nH]2)c(Cl)c1
Clc1ccc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c12
Clc1cccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCN3)CC2)c1Cl
Clc1cccc(c1)N1C(=O)c2ccncc2C1=O
Cn1[nH]c(cc1=O)C(C)(C)C
Cn1c2nc(nc(SCc3ccccc3)c2c(=O)n(C)c1=O)-c1ccco1
Cn1cc(-c2cc(F)cc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2)c2c(N)ncnc12
Cn1cc(-c2cc(F)cc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F)c2c(N)ncnc12
Cn1cc(-c2cc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)cc(F)c2F)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CC(=O)c4cc(F)cc(c4)C(F)(F)F)CCc3c2)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(F)c2F)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(c2)C(F)(F)F)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccc(F)cc2)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(F)c2)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccc2Cl)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccc2F)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccn2)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccnc2)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccncc2)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)C3CCCCC3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Br)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2Cl)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F)c2c(N)nccc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3F)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(F)c(Br)cc3F)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(F)cc(CO)c3Cl)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(Br)c(c3)C(F)(F)F)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3F)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(Br)s3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3F)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(Cl)s3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(O)c(Cl)c3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)c(Cl)c3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc4OCCc4c3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cccc(CO)c3Cl)c2F)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2Cl)c2c(N)ncnc12
Cn1cc(-c2cccc(NS(=O)(=O)c3cnc(Cl)c(Br)c3)c2F)c2c(N)ncnc12
Cn1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(n1)C(F)(F)F
Cn1cc(c(n1)C(=O)NCc1ccco1)[N+]([O-])=O
Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc2N(CCc2c1)C(=O)Cc1ccccc1
Cn1cc(cn1)-n1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F)c2c(N)ncnc12
Cn1nc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc12
Cn1nc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F)c2c(N)ncnc12
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Cn1nc(c(c1NC(=O)CCC(O)=O)-c1ccccc1)C(F)(F)F
Cn1nccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)c1ccc(CNC(=O)c2cccc(CN3CCCCC3)c2)cc1
FC(F)(F)c1cccc(Oc2ccc3c(cc(nc3n2)C(F)(F)F)C(F)(F)F)c1
Fc1ccc(NC(=O)Cc2ncon2)c(F)c1F
Fc1ccc(NC(=O)NCC=C)c(F)c1
Fc1ccc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c12
Fc1ccccc1C(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1
Fc1ccccc1NNC(=O)c1ccccc1
N(c1c(oc2cnccc12)-c1ncccn1)c1cccc2[nH]ncc12
NC(=N[N-][CH+]c1ccc(cc1)[N+]([O-])=O)c1nonc1N |w:2.2|
NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
NC(=S)NN=Cc1ccc(C=NNC(N)=S)cc1 |w:4.3,11.11|
NC1(CF)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1c(F)cccc1Cl |(5.6,-3.61,;4.12,-4.01,;5.45,-4.78,;6.99,-4.78,;2.78,-4.78,;1.45,-4.01,;1.45,-2.47,;2.78,-1.7,;4.12,-2.47,;.12,-1.7,;.12,-.16,;-1.22,.61,;-2.55,-.16,;-4.02,.32,;-4.92,-.93,;-4.02,-2.18,;-2.55,-1.7,;-1.22,-2.47,;-4.41,1.8,;-3.33,2.89,;-1.84,2.49,;-3.72,4.38,;-5.21,4.78,;-6.3,3.69,;-5.9,2.2,;-6.99,1.11,)|
NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(F)c1Cl
NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccnc1Cl
NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl
NC1=N\C(=N/c2cccc(c2)S(N)(=O)=O)c2ccccc12 |t:1|
NC1C(F)(F)CC[C@]11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
NC1CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl
NC1CC[C@]11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
NC1[C@@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
NC1[C@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1c(F)cccc1Cl |(6.84,-4.34,;5.75,-3.25,;4.27,-3.65,;4.66,-5.14,;2.93,-4.42,;1.6,-3.65,;1.6,-2.11,;2.93,-1.34,;4.27,-2.11,;.26,-1.34,;.26,.2,;-1.07,.97,;-2.4,.2,;-3.87,.68,;-4.77,-.57,;-3.87,-1.82,;-2.4,-1.34,;-1.07,-2.11,;-4.27,2.16,;-3.18,3.25,;-1.69,2.85,;-3.58,4.74,;-5.06,5.14,;-6.15,4.05,;-5.75,2.56,;-6.84,1.47,)|
NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ncc1Cl
NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(F)c1Cl
NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl
NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl
NCCCc1n[nH]c2c(Cl)ccc(Nc3c(oc4cnccc34)-c3ncccn3)c12
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(Cl)cc(Cl)c1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ncc1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)c(Cl)c1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)cc1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(F)c(Cl)c1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(N)c1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(c1)C(F)(F)F |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccnc1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccncc1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cn[nH]c1C(F)(F)F |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1c(F)cccc1Cl |r,wD:1.0,(6.6,-1.58,;5.83,-2.91,;6.74,-4.16,;5.83,-5.4,;4.37,-4.93,;4.37,-3.39,;3.04,-4.16,;1.7,-3.39,;1.7,-1.85,;3.04,-1.08,;4.37,-1.85,;.37,-1.08,;.37,.46,;-.97,1.23,;-2.3,.46,;-3.76,.94,;-4.67,-.31,;-3.76,-1.55,;-2.3,-1.08,;-.97,-1.85,;-4.16,2.43,;-3.07,3.52,;-1.59,3.12,;-3.47,5,;-4.96,5.4,;-6.05,4.31,;-5.65,2.83,;-6.74,1.74,)|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ncc1Cl |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(F)c1Cl |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccnc1Cl |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl |r|
Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O
Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1ncc(-c2cccnc2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Nc1ncc(-c2ccncc2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Nc1ncc(-c2cn[nH]c2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Nc1ncc(C2CCNCC2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Nc1nccc(-c2n[nH]c3nc(cnc23)N2CCC(N)(CO)CC2)c1Cl
Nc1nccc2occ(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12
Nc1nccc2occ(-c3cccc(NS(=O)(=O)c4cc(Cl)cc(CO)c4Cl)c3F)c12
Nc1nccc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12
Nc1nccc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Nc1nccc2scc(-c3cccc(NS(=O)(=O)c4cc(Cl)cc(CO)c4Cl)c3F)c12
Nc1ncnc2n(cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cc(CO)c4Cl)c3F)c12)-c1cn[nH]c1
Nc1ncnc2n(cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cc(CO)c4Cl)c3F)c12)C1CC1
Nc1ncnc2n(cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cc(CO)c4Cl)c3F)c12)C1CCNCC1
Nc1ncnc2n(cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cc(CO)c4Cl)c3F)c12)C1CNC1
Nc1ncnc2n(cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cc(CO)c4Cl)c3F)c12)C1COC1
Nc1ncnc2occ(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12
Nc1ncnc2scc(-c3ccc(NC(=O)Cc4cc(F)ccc4F)cc3)c12
Nc1ncnc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12
O=C(CN1C(=O)COc2ccc(cc12)S(=O)(=O)N1CCOCC1)NCc1ccccn1
O=C(NN=Cc1ccncc1)c1ccccc1 |w:3.2|
O=C(NNC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1)C1CC1
O=C(NNc1nc2ccccc2s1)C1CC1
O=C1CCc2cc(Nc3c(oc4cnccc34)-c3ncccn3)ccc12
O=c1cnnc(N=NCc2cccs2)[nH]1 |w:6.5|
OC(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c12
OC(=O)Cn1cnc2c1nc[nH]c2=S
OC(=O)c1ccc(CS(=O)c2cccc(c2)C(F)(F)F)o1
OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1
OC(=O)c1cccc(c1)S(=O)(=O)N(CC=C)c1ccccc1
OC(=O)c1ccccc1C=NNC(=O)CCCC(=O)NN=Cc1ccccc1C(O)=O |w:10.11,20.20|
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
OCCCc1n[nH]c2c(Cl)ccc(Nc3c(oc4cnccc34)-c3ncccn3)c12
OCCNc1ccc(c(NCCO)c1C#N)[N+]([O-])=O
ONC1=NCc2cc(Nc3c(oc4cnccc34)-c3ncccn3)ccc12 |t:2|
Oc1cc(Nc2c(oc3cnccc23)-c2ncccn2)ccc1Cl
Oc1cc(Nc2c(oc3cnccc23)C(=O)Nc2ncccn2)ccc1Cl
Oc1ccc(C=NNC(=O)CNC(=O)CCc2ccccc2)c(O)c1 |w:6.6|
Oc1cccc2cc(Nc3c(oc4cnccc34)-c3ncccn3)ccc12
Oc1cccc2cc(Nc3c(oc4cnccc34)C(=O)Nc3ccncn3)ccc12
Oc1cccc2ccc(CN=O)nc12
[H]C12CC(C(O)=O)C([H])(C3Cc4cccc(OC)c4C(CO)N3C1C#N)N2C |TLB:4:3:26:22.9.23,10:9:26:3.2,THB:24:23:26:3.2|
[H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1nc(C)c(s1)C(=O)OCC |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
[H][C@]12O[C@@]3(CN(CCCOC)C(=O)[C@]3([H])C1C(=O)OCCCC)C=C2 |c:25|
[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1sccc1C#N
[O-][N+](=O)c1ccc(cc1)C1NS(=O)(=O)[N-]C2=[N+]1CCCCC2 |c:16|
[O-][N+](=O)c1ncn(CC(=O)N\[NH+]=C\[c-]2ccccc2=O)n1