232 SMILES Strings for Peregrin
Compound Name
SMILES String
Brc1ccc2NC(=O)CNc2c1
CC(=O)N(Cc1ccccc1)c1nc(C)c(s1)C(=O)Nc1nnc(C)s1
CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@@H]1CCOC1 |r|
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)-c1cnc(nc1)C(N)=O)C1CC1 |r|
CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25|
CC(=O)c1c[nH]c2c(C)cccc12
CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)|
CC(C)CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCCCC1
CC(C)CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCOCC1
CC(C)Cc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCCC1
CC(C)Cc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCOCC1
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)C1CCNC1
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)C1CCOCC1
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OC1CCN(C)C1
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCC#N
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCC(=O)N(C)C
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCC(N)=O
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCCN(C)C
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCCO
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccn1
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1cccnc1
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccncc1
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccncn1
CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(C)=O
CC(C)Oc1ccc2n(C)c(=O)n(C)c2c1
CC(C)c1[nH]nc(C)c1C(=O)Nc1nc(CN2CCOCC2)cs1
CC(C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
CC1CC(C)CN(Cc2csc(NC(=O)c3oc(C)nc3C)n2)C1
CC1CC(C)CN(Cc2csc(NC(=O)c3scnc3C)n2)C1
CC1CCCN(Cc2csc(NC(=O)c3c(C)noc3C)n2)C1
CC1CCCN(Cc2csc(NC(=O)c3snnc3C)n2)C1
CCC1CN(C(=O)CCS(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2)c2cc(C)ccc2O1
CCCC(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
CCCCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
CCCOc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccc(OC)cc1
CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1
CCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCN(C(=O)c1ccccc1OC)c1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)c1
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)c1
CCN(CC)c1cc2n(C)c(=O)c(=O)n(C)c2cc1NC(=O)c1ccccc1OC
CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)cc1NS(C)(=O)=O
CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCOCC1
CCOc1ccccc1C(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCC(C)CC1
CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CC[C@H]1Nc2ccc(cc2NC1=O)C(O)=O |r|
CC\C=C\c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCc1c([nH]c(C)c1C(C)=O)C(=O)NC
CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O
CCc1cnccc1C(=O)Nc1nc(CN2CCCCC2)cs1
CCn1c(CNC(=O)c2ccc3n(CC)c(=O)c(=O)[nH]c3c2)nc2ccccc12
CCn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2cc(C)c1=O
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)N(C)Cc1c(C)nn(c1C)-c1ccccc1
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)N(C)Cc1ccn(Cc2ccccc2)n1
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)N(C)Cc1cnn(c1)-c1ccccc1
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)NC(C)c1cnn(c1C)-c1ccc(C)cc1
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)NC(C)c1cnn(c1C)-c1ccc(F)cc1
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)NC(c1nccn1C)c1cccc(F)c1
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)NCCCn1cnc2ccccc12
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)NCCn1c(C)nc2ccccc12
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)NCc1c(C)nn(Cc2ccccc2)c1C
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)NCc1ccc(Cn2cccn2)cc1
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)NCc1cn(nc1-c1ccccc1)-c1ccccc1
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)Nc1ccc(cc1)-n1cccn1
CCn1c2ccc(cc2nc(C)c1=O)C(=O)N(C)Cc1ccn(Cc2ccccc2)n1
CCn1c2ccc(cc2nc(C)c1=O)C(=O)N(C)Cc1cnn(c1)-c1ccccc1
CCn1c2ccc(cc2nc(C)c1=O)C(=O)NC(C)c1cnn(C)c1C
CCn1c2ccc(cc2nc(C)c1=O)C(=O)NC(c1nccn1C)c1ccc(OC)cc1
CCn1c2ccc(cc2nc(C)c1=O)C(=O)NCc1c(C)nn(Cc2ccccc2)c1C
CCn1c2ccc(cc2nc(C)c1=O)C(=O)NCc1ccc(nc1)-n1cncn1
CCn1c2ccc(cc2nc(C)c1=O)C(=O)NCc1ccccc1Cn1cccn1
CCn1c2ccc(cc2nc(C)c1=O)C(=O)NCc1cn(nc1-c1ccc(F)cc1)-c1ccccc1
CCn1c2ccc(cc2nc(C)c1=O)C(=O)Nc1cccnc1-n1cccn1
CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
CN1C(=O)CNc2ccccc12
CN1CCN(CC(=O)Nc2cc3n(C)c(=O)c(=O)n(C)c3cc2N2CCCCC2)CC1
CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1C
CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1CC=C
CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1CCC=C
CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
COCCOc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
CO[C@@]1(C)Oc2ccc(cc2OC1(C)OC)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1 |r|
COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O
COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12
COc1cc(ccc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(C)(C)O
COc1cc(ccc1CS(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C(=O)NO
COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N
COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C
COc1ccc(Cl)cc1S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCCCC1
COc1ccc(Cl)cc1S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCOCC1
COc1ccc(F)c(c1)-c1csc(NC(=O)c2oc(C)nc2C)n1
COc1ccc(Oc2cc3n(C)c(=O)c(=O)n(C)c3cc2NC(=O)c2c(F)cccc2F)cc1
COc1ccc(Oc2cc3n(C)c(=O)c(=O)n(C)c3cc2NC(=O)c2ccccc2F)cc1
COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(C)cc2)cc1
COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)cc2)cc1
COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2)cc1
COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2C)cc1
COc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
COc1ccc(cc1C(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C(=O)NO
COc1ccc(cc1NCc1ccc(OCCCCC(=O)Nc2ccc3n(C)c(=O)c(C)cc3c2)cc1)C(=O)NO
COc1ccc(cc1OC)S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCCCC1
COc1ccc(cc1OC)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
COc1ccc(cc1S(=O)(=O)Nc1ccc2N(CCc2c1)C(C)=O)C1CC1
COc1ccc(cc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C(=O)NO
COc1cccc(OC)c1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
COc1cccc(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1C
COc1cccc(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
COc1cccc(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
COc1cccc(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCOCC1
COc1cccc(c1)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
COc1cccc(c1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
COc1ccccc1C(=O)Nc1cc2[nH]c(=O)n(C)c2cc1N1CCCCC1
COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)[nH]c2cc1N1CCCCC1
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCCC1
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1C
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1C1=CCNCC1 |t:26|
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1C1CCNCC1
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N(C)C
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@@H]1C |r|
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@H]1C |r|
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCN(C)CC1
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNCC1
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@@H]1C |r|
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCN[C@@H](C)C1 |r|
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCN[C@H](C)C1 |r|
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCOCC1
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
COc1ccccc1C(=O)Nc1cc2n(CCO)c(=O)n(C)c2cc1OC(C)C
COc1ccccc1C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1
COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
COc1cccnc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
COc1ncccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
C[C@@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O |r|
C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
C[C@@H]1Nc2ccccc2NC1=O |r|
C[C@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O |r|
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
C\C=C/Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
C\C=C\Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
C\C=C\Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O
C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Cc1c(F)cccc1S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1Oc1ccccc1
Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Cc1cc2c(cnc(NC3CCN(CC3)C(=O)C(F)(F)CN)c2[nH]c1=O)C1=CCOCC1 |t:29|
Cc1cc2cc(N)ccc2n(C)c1=O
Cc1cc2cc(NS(=O)(=O)Cc3ccc(cc3)C(=O)NO)ccc2n(C)c1=O
Cc1cc2cc(NS(=O)(=O)c3cc(ccc3Cl)C(=O)NO)ccc2n(C)c1=O
Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C(=O)NO)ccc2n(C)c1=O
Cc1ccc(F)cc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
Cc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Cc1ccc(cc1C)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Cc1ccc(cc1F)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Cc1ccc(cc1F)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
Cc1cccc2sc3nncn3c12
Cc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
Cc1ccccc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r|
Cc1nc(C)c(o1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1
Cc1nc(C)c(s1)C(=O)Nc1ccc(cc1)N1CCCCC1
Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |r,t:10|
Cn1c2cc(NC(=O)C(C)(C)C)c(cc2n(C)c1=O)N1CCCCC1
Cn1c2cc(NC(=O)Cc3ccccc3)c(cc2n(C)c1=O)N1CCCC1
Cn1c2cc(NC(=O)Cc3ccccc3)c(cc2n(C)c1=O)N1CCCCC1
Cn1c2cc(NC(=O)c3ccccc3)c(cc2n(C)c1=O)N1CCCCC1
Cn1c2cc(NC(=O)c3ccccc3C(F)(F)F)c(cc2n(C)c(=O)c1=O)N1CCCC1
Cn1c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3)cc2n(C)c1=O
Cn1c2cc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c(cc2n(C)c(=O)c1=O)N1CCCC1
Cn1c2cc(NS(=O)(=O)c3ccc(cc3)C3CCCCC3)c(cc2n(C)c(=O)c1=O)N1CCCC1
Cn1c2cc(NS(=O)(=O)c3ccc(cc3)C3CCCCC3)c(cc2n(C)c(=O)c1=O)N1CCOCC1
Cn1c2cc(NS(=O)(=O)c3ccc(cc3)N3CCCC3=O)c(cc2n(C)c(=O)c1=O)N1CCCCC1
Cn1c2cc(NS(=O)(=O)c3ccc4CCCCc4c3)c(Oc3ccccc3)cc2n(C)c1=O
Cn1c2cc(NS(=O)(=O)c3ccc4CCCCc4c3)c(cc2n(C)c(=O)c1=O)N1CCCCC1
Cn1c2cc(NS(=O)(=O)c3ccc4CCCCc4c3)c(cc2n(C)c(=O)c1=O)N1CCOCC1
Cn1c2ccc(N)cc2ccc1=O
Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O
Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2ccc1=O
Cn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2ccc1=O
Cn1c2ccc(NS(=O)(=O)c3ccc4CCCCc4c3)cc2n(C)c1=O
Cn1c2ccc(NS(=O)(=O)c3ccc4CCCc4c3)cc2n(C)c1=O
Cn1c2ccc(NS(=O)(=O)c3ccc4OC(C)(C)CCc4c3)cc2n(C)c1=O
Cn1c2ccc(NS(=O)(=O)c3ccc4OCCCc4c3)cc2n(C)c1=O
Cn1c2ccc(NS(=O)(=O)c3cccc(c3)C#N)cc2ccc1=O
Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2ccc1=O
Cn1c2ccc(NS(=O)(=O)c3ccccc3C#N)cc2ccc1=O
Cn1c2ccc(cc2n(C)c(=O)c1=O)S(=O)(=O)N1CCCC1c1ccc(Cl)cc1
Cn1c2ccc(cc2n(C)c1=O)C(N)=O
Cn1c2ccccc2ccc1=O
Cn1c2ccccc2n(C)c(=O)c1=O
Cn1ccc2cc[nH]c2c1=O
Cn1ccnc1C(NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(F)c1
Cn1nccc1C(=O)Nc1ccc(F)cc1F
FC(F)(F)c1ccc2NCC(=O)Nc2c1
O=C(Nc1nc(CN2CCCCC2)cs1)C1CCCCC(=O)N1
O=c1[nH]c2[nH]c(=S)[nH]c(=O)c2[nH]1
O=c1[nH]ccc2ccccc12
ONC(=O)CCCCCCOc1ccccc1C(=O)Nc1ncnc2[nH]cnc12
Oc1[nH]c(S)nc2nc(S)nc12
Oc1cccc2cnccc12
Oc1cccc2ncccc12
c1ccc(cc1)-c1ccncc1