935 SMILES Strings for Histamine H2 receptor

Compound Name
SMILES String
Brc1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
Brc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
C(C1CCNCC1)c1c[nH]cn1
C(C1CCNCC1)c1cnc[nH]1
C(CC1CCCCC1)C=CCCc1cnc[nH]1 |w:9.10|
C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12
C(CNc1c2CCCCCc2nc2ccccc12)CN1CCCC1
C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
C(COc1ccc(Cc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
C(COc1ccc(Nc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
C(COc1ccc(Oc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
C(COc1ccc2ccccc2c1)CN1CCN(CC1)c1ccncc1
C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
C(Cc1ccccc1)N[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:10:17:15:19.13,9:19:17.18:15,11:18:15:19.13,12:13:17.18:15|
C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)C12C3C4C5C3C1C5C24 |r,wD:2.1,THB:4:11:8:12.6,5:6:10.11:8,3:10:8:12.6,2:12:10.11:8,(10.9,-13.99,;9.58,-14.73,;8.29,-13.96,;6.29,-14.03,;6.86,-12.77,;8.75,-12.79,;8.76,-11.28,;7.43,-10.5,;7.16,-9.13,;7.03,-11.8,;5.75,-12.37,;6.36,-11.25,;8.28,-12.33,;12.2,-14.76,;12.68,-15.28,;12.43,-17.17,;14.33,-17.29,;14.59,-15.38,;14.08,-14.88,;13.83,-16.78,;11.94,-16.66,)|
C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)c1ccc2OCOc2c1 |r,THB:3:10:8:12.6,2:12:10.11:8,4:11:8:12.6,5:6:10.11:8|
C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)c1ccccc1 |r,THB:3:10:8:12.6,2:12:10.11:8,4:11:8:12.6,5:6:10.11:8|
C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r|
C=CCNc1c(NC\C=C/COc2csc(CN3CCCCC3)c2)c(=O)c1=O
CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CC(=C)CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
CC(=O)NC(N)=NCCCc1cnc[nH]1 |w:6.6|
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)[C@@H](N)CO)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2ccc(cc2)C#N)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2cccnc2)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2cnccn2)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2csc(n2)-c2cccnc2)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccc(cc2)C#N)cc1
CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1
CC(=O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1
CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
CC(C(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:7.7|
CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
CC(C)(C)CNc1nccc(n1)N1CCNCC1
CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
CC(C)C(=O)NC(N)=NCCCc1cnc[nH]1 |w:8.8|
CC(C)C(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CC(C)C(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CC(C)CC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)C
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)Cc1ccc2ccc(=O)n(CCN(C)C)c2n1
CC(C)N(CCn1c2nc(C)cc(C)c2ccc1=O)C(C)C
CC(C)N(CCn1c2ncccc2ccc1=O)C(C)C
CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC(C)OC1CN(C1)C(=O)NCc1ccc(cc1C)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
CC(C)c1ccc(cc1)C(C)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(C)c1ccc2ccc(=O)n(CCN(C)C)c2n1
CC(C1CCCCC1)C(=O)NC(N)=NCCCc1cnc[nH]1 |w:13.14|
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8|
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8|
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccn1 |w:8.8|
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1cccs1 |w:8.8|
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1nccs1 |w:8.8|
CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(CCN=C(N)NC(=O)CCc1cnc[nH]1)c1ccccc1 |w:4.3|
CC(CCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)C1CCCCC1
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)CC1CCCCC1
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)Cc1ccc(C)cc1
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
CC(N)Cc1c[nH]c2ccccc12
CC(N=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
CC(NC(=O)OCCCN1CCCCC1)C(C)(C)C
CC(NC(=O)OCCCc1cnc[nH]1)C1(C)CC1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(Br)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(C)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(Cl)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(F)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(OC(F)(F)F)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1F
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccco1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccs1
CC1(C)\C(=C/C=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN=C(NCCCOc2cccc(CN3CCCCC3)c2)NC#N)c2ccccc12 |w:5.4,7.6,39.40,c:9|
CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
CC1CCCC(C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
CC1CCCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
CC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
CC1CCCc2c1nc(N)nc2-c1ccc(C)cc1
CC1CCCc2c1nc(N)nc2-c1ccc(Cl)cc1
CC1CCCc2c1nc(N)nc2-c1ccc(F)cc1
CC1CCCc2c1nc(N)nc2-c1ccc(cc1)[N+]([O-])=O
CC1CCCc2c1nc(N)nc2-c1cccc(Br)c1
CC1CCCc2c1nc(N)nc2-c1ccccc1
CC1CCCc2c1nc(N)nc2C1CCCCC1
CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
CCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:7.7|
CCC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CCC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:8.8|
CCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C(C)(C)O)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C2CC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C2CCC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)CC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)CCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)CSCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)Cc2ccccc2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)N2CCCC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)N2CCOCC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)NC(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)NCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OC(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCCCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)N)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](Cc2ccncc2)NC(=O)OC(C)(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](N)C(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](N)CC(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](N)Cc2ccncc2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)C(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)CC(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)CO)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)Cc2ccncc2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2c[nH]cn2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccc(C)s2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccccc2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccccn2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cccn2C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cccnc2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccco2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cccs2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccncc2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cnccn2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cnco2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2occc2C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2sccc2Cl)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)S(=O)(=O)C(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)S(=O)(=O)c2ccc(cc2)C#N)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)S(C)(=O)=O)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1
CCCCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1
CCCCCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1
CCCCCCNC(=O)\N=C(/N)NC1CCc2nc(N)sc2C1
CCCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCCCCNC(=O)\N=C(/N)Nc1cccc(c1)-c1csc(N)n1
CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCCN(CCCC)CCn1c2nc(C)cc(C)c2ccc1=O
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CCCCc1cc(nc(N)n1)-c1ccc(OC)cc1
CCCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(F)cc12
CCCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccccc12
CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
CCCN(CCC)Cc1ccc(cc1)-c1ccc(CN(CCC)CCC)cc1
CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
CCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCNC(=O)\N=C(/N)Nc1cccc(c1)-c1csc(N)n1
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
CCCN[C@H]1CCc2nc(N)sc2C1 |r|
CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCN(C)C1CCCc2ccncc12
CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc12
CCN(CC)CCn1c2nc(C)cc(C)c2ccc1=O
CCN(Cc1ccccc1)C(=O)OCCCc1cnc[nH]1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|
CCOC(=O)C1=C(C)NC(CSCCCCCNC(=N)NCCCc2ccc[nH]2)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:5,29|
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CCOC(=O)CCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2c[nH]cn2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2cc[nH]c2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(Br)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(Cl)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(OC)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)[N+]([O-])=O)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2C)C#N)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2cccc(c2)C#N)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccccc2[N+]([O-])=O)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2cccs2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccncc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccsc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C(C)=C)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CCCCC2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)CC(C)C)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)CC)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)Cc2ccccc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)\C=C\c2ccc(OC)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)\C=C\c2cccnc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2ccc(F)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2ccc(OC)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2ccc(SC)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2ccc(cc2)C(C)(C)C)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2cccc(C)c2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2cccc(F)c2F)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(C)=O)CC1
CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccc(cc3)C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccc(cc3C(O)=O)C(C)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3cccc(c3)C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cc(Br)ccc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cc(F)ccc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cc(OC)ccc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(F)cc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(cc12)C(F)(F)F
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cccc(Br)c12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cccc(C)c12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3cc(ccc3Br)C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3ccc(F)c(c3)C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3ccc(OC)c(c3)C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3ccc(OCC(O)=O)cc3)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3cccc(OCC(O)=O)c3)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2cc(OC)ccc12
CCOCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3ccccc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3ccccc3OCC(O)=O)CC2)c2ccccc12
CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC\N=C(/S)NCCCCCc1c[nH]cn1
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
CCc1cc(CC)c2ccc(=O)n(CCN(C)C)c2n1
CCc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
CCc1ccc2ccc(=O)n(CCN(C)C)c2n1
CCc1cnc2c(nc(N)nc2c1)N1CC(C1)NC
CCc1cnc2c(nc(N)nc2c1)N1CC[C@H](C1)NC |r|
CCn1c2nocc2c(=O)[nH]c1=O
CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CN(C)C(C)(C)Cn1c2nc(C)cc(C)c2ccc1=O
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
CN(C)CCCN1c2ccccc2CCc2ccccc12
CN(C)CCCNc1c2CCCCCc2nc2ccccc12
CN(C)CCCSC(N)=N
CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
CN(C)CCN1C(=O)CCc2c(C)cc(C)nc12
CN(C)CCN1CCCc2c(C)cc(C)nc12
CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
CN(C)CC\C=C1\c2ccccc2COc2ccccc12
CN(C)CC\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
CN(C)CCn1c2nc(C)c(C)c(C)c2ccc1=O
CN(C)CCn1c2nc(C)cc(C)c2ccc1=O
CN(C)CCn1c2nc(C)cc(C)c2ccc1=S
CN(C)CCn1c2nc(C)ccc2ccc1=O
CN(C)CCn1c2nc(Cl)cc(C)c2ccc1=O
CN(C)CCn1c2nc(cc(C)c2ccc1=O)C(F)(F)F
CN(C)Cc1cc(OC\C=C/CN=c2c(O)c(O)c2=N)cs1
CN(C)Cc1ccc(CSCCNC2=NS(=O)(=O)NC2=N)o1 |t:13|
CN(C)Cc1ccc(CSCCNc2nonc2N)o1
CN(C)Cc1ccc(CSCCNc2nonc2NCCCc2ccccc2)o1
CN(C)Cc1ccc(CSCCNc2ns(=O)nc2N)o1
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r|
CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCCCCCNC(=O)\N=C(/N)NCCCc3sc(N)nc3C)c(C)c2)cc1
CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCCCNC(=O)\N=C(/N)NCCCc3sc(N)nc3C)c(C)c2)cc1
CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCCNC(=O)\N=C(/N)NCCCc3sc(N)nc3C)c(C)c2)cc1
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCNC(=O)C3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(50.94,-7.72,;49.61,-6.94,;49.62,-5.4,;48.28,-7.7,;46.93,-6.92,;45.6,-7.69,;45.59,-9.23,;44.26,-9.99,;42.94,-9.22,;41.6,-9.98,;40.27,-9.21,;40.28,-7.67,;41.61,-6.9,;42.94,-7.67,;44.27,-6.9,;45.75,-6.49,;44.27,-5.36,;38.95,-6.89,;38.95,-5.35,;37.61,-7.66,;36.28,-6.88,;34.94,-7.65,;33.61,-6.87,;32.28,-7.64,;30.95,-6.86,;29.61,-7.63,;28.28,-6.85,;26.94,-7.62,;25.61,-6.84,;24.27,-7.61,;22.94,-6.83,;21.61,-7.6,;20.28,-6.82,;20.28,-5.28,;18.94,-7.59,;18.93,-9.13,;17.6,-9.89,;16.28,-9.11,;14.94,-9.88,;13.61,-9.11,;12.28,-9.88,;10.94,-9.11,;10.95,-7.57,;9.62,-6.8,;8.28,-7.57,;6.95,-6.79,;5.61,-7.56,;4.28,-6.79,;2.95,-7.55,;1.63,-6.79,;1.63,-5.25,;2.95,-4.47,;4.28,-5.25,;12.28,-6.8,;13.6,-7.57,;16.26,-7.58,;17.6,-6.81,;44.26,-11.53,;42.94,-12.29,;42.93,-13.82,;44.25,-14.58,;45.57,-13.83,;45.58,-12.31,;46.92,-11.55,;46.93,-10,;48.27,-9.25,;44.25,-16.12,;42.92,-16.9,;45.58,-16.9,)|
CN(CCC(=O)NC(N)=NCCCc1cnc[nH]1)C(=O)c1cc2ccccc2[nH]1 |w:9.9|
CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.19,wD:12.12,(3.45,4.02,;2.11,3.26,;2.11,1.72,;3.44,.94,;3.44,-.6,;2.1,-1.35,;2.09,-2.88,;3.42,-3.67,;4.76,-2.9,;4.77,-1.36,;.78,4.03,;.79,5.57,;-.55,3.27,;-1.88,4.04,;-3.21,3.27,;-3.21,1.73,;-1.88,.96,;-.55,1.73,;-3.14,.18,;-4.58,-.37,;-4.98,-1.85,;-5.55,.84,;-7.09,.92,;-7.79,2.29,;-6.94,3.6,;-5.4,3.51,;-4.7,2.13,)|
CN(CCc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:12:19:17:15.21,11:21:19.20:17,13:20:17:15.21,14:15:19.20:17|
CN(CCc1ccccc1)[C@@H]1C2C3C4C2C(=O)C2C4CC3C12 |r,TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:19:21.17,14:13:19:21.17|
CN(CCc1ccccc1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:11:18:16:20.14,10:20:18.19:16,12:19:16:20.14,13:14:18.19:16|
CN(Cc1ccc2OCOc2c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:13:20:18:22.16,12:22:20.21:18,14:21:18:22.16,15:16:20.21:18|
CN(Cc1ccccc1)C(=O)OCCCc1cnc[nH]1
CN(Cc1ccccc1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:10:17:15:19.13,9:19:17.18:15,11:18:15:19.13,12:13:17.18:15|
CN1CCC(CC1)C(=N\O)\c1cc2cc(C)ccc2[nH]1
CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1
CN1CCC(CC1)C(=N\O)\c1nc2cc(Cl)ccc2[nH]1
CN1CCC(Cc2c[nH]cn2)CC1
CN1CCC2(CC1)N=C(C)C(=O)N(C2=O)c1c(C)cccc1C |t:8|
CN1CCC2(CC1)N[C@@H](CC1CNc3ccccc13)C(=O)N(C2=O)c1c(C)cccc1C |r|
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
CN1CCCC1CCNc1c2CCCCCc2nc2ccccc12
CN1CCN(CC1)C(=N/O)\c1cc2cc(Cl)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(F)cc2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccccc2C)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccccc2Cl)nc(N)n1
CN1CCN(CC1)c1cc(nc(NCc2ccccc2)n1)-c1ccccc1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc(NCc2ccccc2)nc-2c1CCc1ccccc-21
CN1CCN2C(C1)c1ccsc1Cc1ccccc21
CN1CCN2C(C1)c1sccc1Cc1ccccc21
CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13
CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21 |r|
CNC(=N)NCCCCc1cnc[nH]1
CNC(=N)NCCCc1cnc[nH]1
CNC(=N)NCCCc1nccs1
CNC(=N)NCCSCc1[nH]cnc1C
CNC(=N)NCCSCc1cnc[nH]1
CNC(=N)NCCSCc1nccs1
CNC(=N)NCCc1cnc[nH]1
CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
CNC(=O)c1cnc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1
CNC(=S)NCCCCc1cnc[nH]1
CNC(=S)NCCCc1cnc[nH]1
CNC(=S)NCCSCc1[nH]cnc1C
CNC(C)Cc1ccc2OCOc2c1
CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
CNC(NCCSCc1ccc(CN(C)C)o1)=C[N+]([O-])=O
CNC(Nc1cccc(c1)-c1nc[nH]c1C)=NC#N |w:16.18|
CNC([CH-][N+]([O-])=O)=[NH+]c1cccc(c1)-c1nc[nH]c1C |w:7.7|
CNC1CN(C1)c1nc(N)nc2cc(cnc12)C1CCCC1
CNCC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CNCCC(Oc1ccccc1C)c1ccccc1
CNCCCN1c2ccccc2CCc2ccccc12
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
CNCCn1c2nc(C)cc(C)c2ccc1=O
CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r|
CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
CN[C@H](C(C)C)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CN\C(NC#N)=N/CCSCc1nc[nH]c1C
CN\C(NC#N)=N\CCSCc1nc[nH]c1C
CN\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O
CN\C(NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C(NC[C@@H]1CC[C@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C(NC[C@H]1CC[C@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
CNc1ccccc1C(=O)NCCN\C(NCCCOc1cccc(CN2CCCCC2)c1)=N/C#N
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COCC\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
COCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(F)cc12
COCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccccc12
COCCn1cc(C2CCN(Cc3ccc(OC)c(c3)C(O)=O)CC2)c2ccc(F)cc12
COCCn1cc(C2CCN(Cc3ccc(OC)c(c3)C(O)=O)CC2)c2ccccc12
COCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccc(F)cc12
COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
CO\N=C(/C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
COc1cc(C)c2ccc(=O)n(CCN(C)C)c2n1
COc1cc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)cc(OC)c1OC |r,THB:8:15:13:17.11,7:17:15.16:13,9:16:13:17.11,10:11:15.16:13|
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1ccc(CN(C)[C@@H]2C3C4CC5C6CC(C3C46)C25)cc1OC |r,THB:10:17:15:19.13,9:19:17.18:15,11:18:15:19.13,12:13:17.18:15|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1ccc(CN2CCC(CC2)c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)cc1C(O)=O
COc1ccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3cc(F)ccc23)cc1C(O)=O
COc1ccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3ccccc23)cc1C(O)=O
COc1ccc(CN2CCC(CC2)c2cn(Cc3ccoc3)c3cc(F)ccc23)cc1C(O)=O
COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 |r|
COc1ccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)cc1OC |r,THB:9:16:14:18.12,8:18:16.17:14,10:17:14:18.12,11:12:16.17:14|
COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
COc1ccc(cc1)-c1nc(N)nc2CCC(C)Cc12
COc1ccc(cc1)-c1nc(N)nc2CCCCc12
COc1ccc(cc1)C(C)NC(=O)\N=C(/N)NCCCc1sc(N)nc1C
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
COc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1 |r,wU:11.11,wD:14.19,(9.71,4.04,;10.41,2.67,;11.95,2.59,;12.79,3.89,;14.34,3.8,;15.03,2.43,;14.18,1.13,;12.64,1.22,;15.15,-.07,;14.75,-1.56,;16.6,.48,;16.52,2.02,;16.52,3.56,;17.85,4.34,;19.18,3.56,;19.18,2.02,;17.85,1.26,;20.51,4.33,;20.52,5.87,;21.85,3.55,;23.18,4.32,;21.84,2.01,;23.17,1.24,;23.17,-.3,;21.83,-1.06,;21.82,-2.59,;23.15,-3.37,;24.49,-2.61,;24.5,-1.06,)|
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
COc1cccc(c1)-c1nc(N)nc2C(C)CCCc12
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccc(Cl)cc3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccccc3OC)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc23)CC1
COc1cn(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(F)cc1F |r|
COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11|
CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
CSC(=N)NCCCc1cnc[nH]1
CSC(=N)NCCSCc1[nH]cnc1C
CSC(NCCCc1cnc[nH]1)=[NH+]CCSCc1[nH]cnc1C |w:12.13|
CSCCC(N)C(O)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1 |r,w:8.8|
C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@@H](CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@@H](CNC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(C)=O)C1
C[C@@H](NC(=O)OCCCc1cnc[nH]1)c1ccccc1
C[C@@H](NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@@H](NC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
C[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
C[C@@]1(O)CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |r,w:8.8|
C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8|
C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8|
C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1 |r,w:8.8|
C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@H](CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](CNC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r|
C[C@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(C)=O)C1
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
C[C@H](NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](NC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
C[C@H]1CCCN1CCc1ccc2ccccc2c1
C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C[C@@]1(CO1)[C@]3(O)CCc1ccoc1)OC2=O |r|
C\C(NCCCc1nnc(N)s1)=N/C(=C)NCCCCCCCCN
C\N=C(/S)NCCCCc1c[nH]cn1
C\N=C(/S)NCCSCc1[nH]cnc1C
C\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
Cc1[nH]cnc1-c1cccc(Nc2ns(=O)nc2N)c1
Cc1[nH]cnc1CSCCNC(=N)NCCCc1c[nH]cn1
Cc1cc(C)c2ccc(=O)n(CCN)c2n1
Cc1cc(C)c2ccc(=O)n(CCN3CCCCC3)c2n1
Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 |r|
Cc1cc(OCCCNCCc2cnc[nH]2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCCc1cnc[nH]1
Cc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Cc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Cc1nc(C)c(CCN)s1
Cc1nc(N)[se]c1CCN
Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1 |w:10.10,29.30|
Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30|
Cc1nc(N)sc1CCCN=C(N)NC(=O)CCc1ccccc1 |w:10.10|
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(N)=NCCCc1sc(N)nc1C |w:41.42|
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC(c1ccccc1)C(F)(F)F
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC(c1ccccc1)c1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC1CCCCC1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCC(c1ccccc1)c1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C |c:39|
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCc1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCc1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCc1ccco1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)Nc1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=S)NC(c1ccccc1)c1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=S)NCC(c1ccccc1)c1ccccc1
Cc1nc(N)sc1CCN
Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Cc1nc[nH]c1CCN
Cc1nc[nH]c1CSCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:14.15|
Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Cc1nc[nH]c1CSCCNC(=N)NCCCCc1cnc[nH]1
Cc1nc[nH]c1CSCCNC(=N)NCCCc1cn(C)cn1
Cc1nc[nH]c1CSCCNC(=N)NCCCc1nccs1
Cc1nc[nH]c1CSCCNC(=N)NCCSCc1[nH]cnc1C
Cc1nc[nH]c1CSCCNC(=N)NCCSCc1nccs1
Cc1nc[nH]c1CSCCNC(=N)SCCCc1cnc[nH]1
Cc1nc[nH]c1CSCCNC(=O)NCCCc1cnc[nH]1
Cc1nc[nH]c1CSCCNC(=S)NCCCc1cnc[nH]1
Cc1nc[nH]c1CSCCNC(NCCCc1cnc[nH]1)=NC#N |w:21.23|
Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
Cc1ncsc1CCN
Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Cl.Cl.CC(NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1cccc(F)c1
Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r|
Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1ccccc1 |r|
Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Clc1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
Clc1ccc(CNC(=S)NCCCCCc2c[nH]cn2)cc1
Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Clc1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
Clc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Clc1ccc(cc1)C(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(cc1)C#N |r,t:8|
Clc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Clc1cccc(c1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Clc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Clc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Cn1cnc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
FC(F)(F)c1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
FC(F)(F)c1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
FC(F)(F)c1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
FC(F)(F)c1cccc(NC(=O)OCCCc2cnc[nH]2)c1
FC(F)(F)c1ccccc1NC(=O)OCCCc1cnc[nH]1
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
FCCNc1c(NC\C=C/COc2csc(CN3CCCCC3)c2)c(=O)c1=O
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
Fc1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
Fc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Fc1ccc(cc1)C(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Fc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15|
Fc1cccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:9:16:14:12.18,8:18:16.17:14,10:17:14:12.18,11:12:16.17:14|
Fc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Fc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Ic1cc(ccc1N=[N+]=[N-])C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:35.38|
Ic1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
Ic1cccc(c1)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:32.35|
Ic1cccc(c1)C(=O)NCC\N=C(\NCCCCOc1cccc(CN2CCCCC2)c1)NC#N
N#CNC(NCCCC1CCCCC1)=NCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
N#CNC(NCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCCc1ccccc1)=NCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCSc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCSc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@H](C1)c1c[nH]cn1 |r|
N#Cc1ccc(cc1)-c1ccc(OCCCN2CC3CNCC3C2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCNCC2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCNCC2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1
N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1
N=C(NCCCc1cnc[nH]1)NC(=O)CCCCC(=O)NC(=N)NCCCc1cnc[nH]1
N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1
N=C(NCCCc1cnc[nH]1)NS(=O)(=O)CCc1ccccc1
NC(=O)NC(NCCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:16.17|
NC(=O)NC(NCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
NC(=O)NC(NCCCc1ccccc1)=NCCc1cnc[nH]1 |w:15.16|
NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
NC(CCS)C(O)=O
NC(CS(O)(=O)=O)C(O)=O
NC(CS(O)=O)C(O)=O
NC(CS)C(O)=O
NC(CSSCC(N)C(O)=O)C(O)=O
NC(N)=NCCCc1cnc[nH]1 |(34.52,3.88,;33.18,4.65,;33.18,6.19,;31.85,3.88,;30.52,4.65,;29.18,3.88,;27.85,4.65,;26.51,3.88,;26.53,2.34,;25.07,1.85,;24.15,3.09,;25.05,4.34,)|
NC(NC(=O)C(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1 |w:18.20|
NC(NC(=O)C1CCCCC1)=NCCCc1cnc[nH]1 |w:11.12|
NC(NC(=O)CC(c1ccc(Br)cc1)c1ccc(Br)cc1)=NCCCc1cnc[nH]1 |w:21.23|
NC(NC(=O)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)=NCCCc1cnc[nH]1 |w:21.23|
NC(NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)=NCCCc1cnc[nH]1 |w:21.23|
NC(NC(=O)CC(c1ccc(F)cc1)c1ccccn1)=NCCCc1cnc[nH]1 |w:20.22|
NC(NC(=O)CC(c1ccccc1)c1ccc(F)c(F)c1)=NCCCc1cnc[nH]1 |w:21.23|
NC(NC(=O)CC(c1ccccc1)c1ccc(F)cc1)=NCCCc1cnc[nH]1 |w:20.22|
NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1 |w:19.21|
NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCc1cnc[nH]1 |w:19.21|
NC(NC(=O)CC(c1ccccc1)c1ccccn1)=NCCCc1cnc[nH]1 |w:19.21|
NC(NC(=O)CC(c1ncc[nH]1)c1ccc(F)c(F)c1)=NCCCc1cnc[nH]1 |w:20.22|
NC(NC(=O)CC(c1nccn1Cc1ccccc1)c1ccc(F)c(F)c1)=NCCCc1cnc[nH]1 |w:27.30|
NC(NC(=O)CC(c1nccs1)c1ccc(F)c(F)c1)=NCCCc1cnc[nH]1 |w:20.22|
NC(NC(=O)CC(c1nccs1)c1ccccc1)=NCCCc1cnc[nH]1 |w:18.20|
NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1 |w:12.13|
NC(NC(=O)CCC1CCCCC1)=NCCCc1cnc[nH]1 |w:13.14|
NC(NC(=O)CCCC1CCCCC1)=NCCCc1cnc[nH]1 |w:14.15|
NC(NC(=O)CCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:26.27,16.16|
NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:28.29|
NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28|
NC(NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1nnc[nH]1)=NCCCc1nnc[nH]1 |w:27.28,18.18|
NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34|
NC(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:40.41|
NC(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:39.40|
NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
NC(NC(=O)CCCNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:20.22|
NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
NC(NC(=O)CCNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:19.21|
NC(NC(=O)CCc1c[nH]c2ccccc12)=NCCCc1cnc[nH]1 |w:16.18|
NC(NC(=O)CCc1ccccc1)=NCCCc1cnc[nH]1 |w:13.14|
NC(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:18.20|
NC(NC(=O)Cc1c[nH]c2ccccc12)=NCCCc1cnc[nH]1 |w:15.17|
NC(NC(=O)Cc1ccccc1)=NCCCc1cnc[nH]1 |w:12.13|
NC(NC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:14.16|
NC(NC(=O)c1ccccc1)=NCCCc1cnc[nH]1 |w:11.12|
NC(NCCCc1cnc[nH]1)=NCCC(c1ccc(F)cc1)c1ccccn1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
NC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
NCCC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
NCCCCCCCCNC(=O)\N=C(/N)NCCCc1c[nH]cn1
NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
NCC[C@@H]1C[C@@H]1c1cnc[nH]1
NCC[C@H]1C[C@H]1c1cnc[nH]1
NCCc1c[nH]cn1
NCCc1cnc(N)s1
NCCc1cnc[nH]1
NCCc1csc(N)n1
NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
NC[C@@H]1C[C@@H]1c1cnc[nH]1
NC[C@@H]1C[C@H]1c1cnc[nH]1
NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
NC[C@H]1C[C@@H]1c1cnc[nH]1
NC[C@H]1C[C@H]1c1cnc[nH]1
N[C@@H](C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1)c1ccccc1
N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
N[C@@H]1CCSC1=O |r|
N[C@@H]1C[C@@H]1c1cnc[nH]1
N[C@@H]1C[C@H]1c1cnc[nH]1
N[C@H](C1Cc2ccccc2C1)C(O)=O |r|
N[C@H](CC#N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H]1CCSC1=O |r|
N[C@H]1C[C@@H]1c1cnc[nH]1
N[C@H]1C[C@H]1c1cnc[nH]1
N\C(NC1CCc2nc(N)sc2C1)=N/C(=O)NCc1ccccc1
N\C(Nc1cccc(c1)-c1csc(N)n1)=N/C(=O)NC1CCCCC1
N\C(Nc1cccc(c1)-c1csc(N)n1)=N/C(=O)NCCc1ccccc1
N\C(Nc1cccc(c1)-c1csc(N)n1)=N/C(=O)NCc1ccccc1
N\C(Nc1cccc(c1)-c1csc(N)n1)=N/C(=O)Nc1ccccc1
Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O
Nc1c(NC\C=C/COc2csc(CN3CCCCC3)c2)c(=O)c1=O
Nc1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
Nc1ccc(cc1)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:32.35|
Nc1ccc(cc1I)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:33.36|
Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
Nc1ncc(CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc2cnc(N)s2)s1
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Nc1ns(=O)nc1NCCCOc1cccc(CN2CCCCC2)c1
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
O=C(C1CC1)c1ccc(OCCCN2CCC(CC2)c2ccncc2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H]2CCN2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H]2CCCN2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H]2CCN2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)[C@@H]2CC(=O)N2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)[C@H]2CC(=O)N2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccc(cc2)C#N)cc1 |r|
O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2cccc(c2)C#N)cc1
O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccccc2)cc1
O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccccc2C#N)cc1
O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
O=C(C1CC1)c1ccc2nc(ccc2c1)N1CCN(CC1)C1CC1
O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc12
O=C(C[C@H]1CCCN1)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
O=C(N1CCCC1)c1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
O=C(NCC1CCC1)OCCCc1cnc[nH]1
O=C(NCC1CCCC1)OCCCc1cnc[nH]1
O=C(NCC1CCCCC1)OCCCc1cnc[nH]1
O=C(NCCCc1ccccc1)OCCCc1cnc[nH]1
O=C(NCCc1ccccc1)OCCCc1cnc[nH]1
O=C(NCc1cccc(CNC(=O)OCCCc2cnc[nH]2)c1)OCCCc1cnc[nH]1
O=C(NCc1ccccc1)OCCCc1cnc[nH]1
O=C(NCc1ccco1)OCCCc1cnc[nH]1
O=C(NN1CCC(CC1)c1ccccc1)OCCCc1cnc[nH]1
O=C(N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1)c1csc(n1)-c1cccnc1
O=C(Nc1ccc2ccccc2c1)OCCCc1cnc[nH]1
O=C(Nc1ccccc1)OCCCc1cnc[nH]1
O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
O=c1c(NCCC#N)c(NC\C=C/COc2csc(CN3CCCCC3)c2)c1=O
OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(C)s1)C1CCCCC1
OC(=O)C(F)(F)F.CCC(=O)N[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(\N)NCCCc1nnc(C)s1
OC(=O)C(F)(F)F.Cc1nnc(CCCN\C(N)=N\C(=O)NCc2ccccc2)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NC2CCNC2)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NC2CCNCC2)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCCN)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCN)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCCN(CC1)C(N)=N
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCCNCC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCN(CC1)C(N)=N
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@H](C1)NC(N)=N |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1cnc(N)s1)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)o1)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)s1)C1CCCCC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)s1)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1oc(N)nc1C)C1CCCCC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C)C1CCCCC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCCCCNc2c(NCCCOc3cccc(CN4CCCCC4)c3)c(=O)c2=O)c2cc(ccc12)S(O)(=O)=O |c:21|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCCCCNc2c(NCCCOc3cccc(CN4CCCCC4)c3)c(=O)c2=O)c2ccccc12 |c:21|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCCNc2c(NCCCOc3cccc(CN4CCCCC4)c3)c(=O)c2=O)c2cc(ccc12)S(O)(=O)=O |c:21|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCCNc2c(NCCCOc3cccc(CN4CCCCC4)c3)c(=O)c2=O)c2ccccc12 |c:21|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)o1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1cnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCCN(CC1)c1ccnc(NCC(C)(C)C)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)c1ccnc(NCC(C)(C)C)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@@H](NC(=O)\N=C(/N)NCCCc1c[nH]cn1)c1ccccc1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)oc1CCCN\C(N)=N\C(=O)NCc1ccccc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NC2CCCCC2)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NCc2ccccc2)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1cccc(N\C(N)=N\C(=O)NCc2ccccc2)c1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |c:60,62,t:57|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nnc(CCCN\C(N)=N\C(=O)NCCCCCCCCN)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCC1CCc2nc(N)sc2C1)=N/C(=O)NCc1ccccc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCN(CCN)CC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)N(CCCCCC(=O)NCCCCCCCCNC(=O)\N=C(/N)NCCCc2c[nH]cn2)\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)c2ccccc12 |c:60|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)N(CCCCCC(=O)NCCCCCCCCNC(=O)\N=C(/N)NCCCc2nnc(N)s2)\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)c2ccccc12 |c:61|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@@H](NC(=O)\N=C(/N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)c2cc(ccc2C1(C)C)S([O-])(=O)=O |c:61|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)c2ccccc2C1(C)C |c:61|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)c2cc(ccc2C1(C)C)S([O-])(=O)=O |c:59|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)c2ccccc2C1(C)C |c:59|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(ccc2C1(C)C)S([O-])(=O)=O |c:57|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)c2ccccc2C1(C)C |c:57|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NCCCCCCNC(=O)\N=C(/N)Nc2ccc(cc2)-c2sc(N)nc2C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1cccc(N\C(N)=N\C(=O)NCCCCCCNC(=O)\N=C(/N)Nc2cccc(c2)-c2sc(N)nc2C)c1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCCCCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c(C)c2)cc1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c(C)c2)cc1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCc3c[nH]cn3)c(C)c2)cc1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c(C)c2)cc1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[N+]1=C(\C=C\C=C\C=C2/N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:13|
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[N+]1=C(\C=C\C=C\C=C2/N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:13|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1
OC(=O)c1cccc(CN2CCC(CC2)c2cn(Cc3ccc(Cl)s3)c3ccccc23)c1
OC(=O)c1cccc(CN2CCC(CC2)c2cn(Cc3ccco3)c3ccccc23)c1
OC(=O)c1cccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3ccccc23)c1
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CC2CC2)c2cc(F)ccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CC2CC2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CC=C)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CCC2COCCO2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CCC2OCCO2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CCc2ccccn2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2cc(F)ccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccco2)c2cc(F)ccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccco2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2cccs2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccoc2)c2cc(F)ccc12
OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
O[C@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
[#6]-[#6](=O)-[#7]-[#6]-c1cccc(n1)-c1csc(\[#7]=[#6](/[#7])-[#7])n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#8]-c2ccc(cc2)-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
[#6]-[#7]-[#6](-[#6-]-[#7+](-[#8-])=O)=[#7+]-c1ccc(cc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:7.7|
[#6]-[#7]-[#6](-[#6-]-[#7+](-[#8-])=O)=[#7+]-c1cccc(c1)-c1csc(\[#7]=[#6](/[#7])-[#7])n1 |w:7.7|
[#6]-[#7]-[#6](-[#7]-c1cccc(c1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1)=[#7]C#N |w:19.21|
[#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
[#6]-[#7]-c1ns(=O)nc1-[#7]-c1cccc(c1)-c1csc(\[#7]=[#6](/[#7])-[#7])n1
[#6]\[#7]=[#6](\[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](/[#7])-[#7])n1)-[#7]C#N
[#7]\[#6](-[#7])=[#7]/c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](=[#7])-[#7]S([#7])(=O)=O)cs1
[#7]\[#6](-[#7])=[#7]/c1nc(cs1)-c1cccc(-[#7]-c2ns(=O)nc2-[#7])c1
[#7]\[#6](-[#7])=[#7]\c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](-[#7])=[#7]S([#7])(=O)=O)cs1 |w:13.13|
[#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F
[4H]CC([4H])C(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O
[H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
[H][C@]1(CCc2nc(N)sc2C1)NCCC |r|
[H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12C[C@@]1(C(=O)OCC)[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccco1)C(=O)NC |r|
[O-][N+](=O)c1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
[O-][N+](=O)c1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
[O-][N+](=O)c1ccc(NCCCCCCCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:36.38|
[O-][N+](=O)c1cccc(CNC(=O)OCCCc2cnc[nH]2)c1
[O-][N+](=O)c1cccc(NC(=O)OCCCc2cnc[nH]2)c1
[O-][N+](=O)c1ccccc1NC(=O)OCCCc1cnc[nH]1