382 SMILES Strings for Carbonic anhydrase 3

Compound Name
SMILES String
CC(=O)Nc1nnc(s1)S(=O)(=O)N
CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3
c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3
CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C
CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N
c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N
c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F
CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(N)(=O)=O
c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O
C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl
c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl
CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O
NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O
Cc1ccccc1-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN |(-3.28,7.1,;-1.8,7.52,;-1.42,9.01,;.06,9.43,;1.17,8.36,;.79,6.86,;-.69,6.44,;-1.17,4.98,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,;1.28,3.73,;2.05,2.4,;2.05,5.07,;3.59,5.07,)|
Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1F)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(F)c1)S(N)(=O)=O
NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(F)cc1)S(N)(=O)=O
NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Cl)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Cl)c1)S(N)(=O)=O
NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(Cl)cc1)S(N)(=O)=O
NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Br)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Br)c1)S(N)(=O)=O
NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(Br)cc1)S(N)(=O)=O
COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
NNC(=O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O |(3.94,3.73,;2.61,4.5,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;-1.8,7.52,;-3.28,7.1,;-1.42,9.01,;-2.52,10.08,;.06,9.43,;.44,10.92,;1.17,8.36,;2.65,8.78,;.79,6.86,;1.89,5.79,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
c1ccc(cc1)O
c1ccc(c(c1)O)O
c1cc(cc(c1)O)O
c1cc(ccc1O)O
Oc1cc(F)ccc1F
Oc1cc(F)cc(F)c1
c1ccc(c(c1)C(=O)O)O
c1cc(ccc1C(=O)O)O
c1cc(ccc1N)O
c1cc(ccc1C#N)O
CC(=O)Nc1ccc(cc1)O
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl
CCCCCCCCOS(=O)(=O)N
CCCCCCCCCCOS(=O)(=O)N
C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N
C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N
CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C
c1ccc2c(c1)c(no2)CS(=O)(=O)N
c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N
CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
C(COc1cc(nc(n1)-c1ccccc1)-c1ccccc1)CN1CCCC1
Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13|
Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2C=CCC[C@@H]2OC1(C)C |r,c:13|
Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@H](O)[C@@H]1O |r|
Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O |r|
O[C@H]1CCCC[C@H]1O |r|
C1CC[C@H]([C@@H](C1)O)O
c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
OC1C[C@@H](OCC2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@@H](O)C(O)[C@@H]2O)C(O)[C@@H](O)C1O |r|
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O
c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O
COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C[C@@H]1O |r|
CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]1[C@@H](O)C[C@@]2(C)C3C[C@H](O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)C4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](O)C(O)[C@@H]1O[C@@H]1OC[C@H](O)C(O)[C@@H]1O)C4(C)C |r|
CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]1[C@@H](O)C[C@@]2(C)C3C[C@H](O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)C4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](O)C(O)[C@@H]1O)C4(C)C |r|
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC([C@@H](O)C(O)[C@@H]6O[C@@H]6OC[C@@H](O)[C@H](O)C6O[C@@H]6OC(O)[C@H](O)[C@H](O)C6O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2C1 |r,c:12|
CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]1[C@@H](O)C[C@@]2(C)C3C[C@H](O[C@@H]4OC[C@@H](O)C(O)[C@@H]4O)C4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](O)C(O)[C@@H]1O)C4(C)C |r|
C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1|
B(c1ccccc1)(O)O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N
COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl
NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl
NC(=O)c1cc(c(Cl)cc1NC1CCCCCCC1)S(N)(=O)=O
c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl
CCCCNC(=O)c1cc(c(Cl)cc1NC1CCCCCCC1)S(N)(=O)=O
COC(=O)CCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl
c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO
NS(=O)(=O)c1cc(C(=O)NCCO)c(Cl)cc1Cl
NC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
NS(=O)(=O)c1cc(C(O)=O)c(Br)cc1Br
NS(=O)(=O)c1cc(C(O)=O)c(NC2CCCCCCC2)cc1Cl
c1c(c(cc(c1S(=O)(=O)N)Cl)Cl)C(=O)O
NS(=O)(=O)c1cc(C(=O)NCCCO)c(NCc2ccccc2)cc1Cl
CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N
CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O
COCCNC(=O)c1cc(c(Cl)cc1NC1CCCCC1)S(N)(=O)=O
COCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Cl)cc1Cl
NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl
NS(=O)(=O)c1cc(C(=O)NCCO)c(Br)cc1Br
NS(=O)(=O)c1cc(C(=O)NCCCO)c(Cl)cc1Cl
CCCCNC(=O)c1cc(c(Br)cc1Br)S(N)(=O)=O
CCCCNC(=O)c1cc(c(Br)cc1NC1CCCCC1)S(N)(=O)=O
CCCCNC(=O)c1cc(c(Br)cc1NCc1ccccc1)S(N)(=O)=O
CC(=O)OCCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(Cl)cc1Cl
NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1ccnc1-c1ccccc1
NS(=O)(=O)c1cc(ccc1Cl)C(=O)CN1CCc2ccccc12
NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(Cl)cc1Cl
NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(Sc2ccccc2)cc1Cl
Cc1cc2ncn(CC(=O)c3cc(c(Cl)cc3Sc3ccccc3)S(N)(=O)=O)c2cc1C
NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc23)c(SCCc2ccccc2)cc1Cl
Cc1cc2ncn(CC(=O)c3cc(c(Cl)cc3Cl)S(N)(=O)=O)c2cc1C
NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc23)c(Cl)cc1Cl
Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1ccnc1
Cc1cc2ncn(CC(=O)c3ccc(Cl)c(c3)S(N)(=O)=O)c2cc1C
NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl
CCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
CCc1nccn1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl
NS(=O)(=O)c1cc(C(=O)Cn2ccnc2)c(Cl)cc1Cl
NS(=O)(=O)c1cc(ccc1Cl)C(=O)CN1CCCc2ccccc12
NC(=N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1
CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
COC(=O)CNc1nc(F)nc(NCCc2ccc(cc2)S(N)(=O)=O)n1
NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1
NS(=O)(=O)c1ccc(CCNc2nc(F)nc(F)n2)cc1
NS(=O)(=O)c1ccc(CCNc2nc(F)nc(NCC(O)=O)n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(F)nc(F)n2)cc1
CNc1nc(F)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Nc1ccc(nc1)S(N)(=O)=O
Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N
Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N
c1cc(ccc1N)S(=O)(=O)N
Cc1cc(N2CC(CC2=O)C(O)=O)c(Cl)c(C)c1S(N)(=O)=O
Cc1cc(c(C)cc1N1CC(CC1=O)C(O)=O)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(cc1Cl)S(=O)(=O)Cc1ccccc1
NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
CCCCNC(=O)c1cc(c(Cl)cc1Sc1ccccc1)S(N)(=O)=O
COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)c1ccccc1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCO)c(SC2CCCCC2)cc1Br
CC(=O)OCCCNC(=O)c1cc(c(Cl)cc1Sc1ccccc1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)S(=O)(=O)Cc1ccccc1
NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O
COC(=O)CCCNC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)S(=O)(=O)C1CCCCC1
NS(=O)(=O)c1cc(C(O)=O)c(SC2CCCCC2)cc1Cl
NC(=O)c1cc(c(Cl)cc1Sc1ccccc1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCO)c(Sc2ccccc2)cc1Cl
c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO
c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl
NS(=O)(=O)c1cc(C(=O)NCCCO)c(SC2CCCCC2)cc1Cl
CCCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N
CCCCNC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O
COCCNC(=O)c1cc(c(Cl)cc1Sc1ccccc1)S(N)(=O)=O
COC(=O)CCCNC(=O)c1cc(c(Cl)cc1Sc1ccccc1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Sc2ccccc2)cc1Cl
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Sc2ccccc2)cc1Cl
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(SC2CCCCC2)cc1Cl
NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Sc2ccccc2)cc1Cl
NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(SC2CCCCC2)cc1Cl
NS(=O)(=O)c1cc(C(=O)NCCO)c(SCCc2ccccc2)cc1Br
CCCCNC(=O)c1cc(c(Br)cc1SC1CCCCC1)S(N)(=O)=O
CCCCNC(=O)c1cc(c(Br)cc1SCc1ccccc1)S(N)(=O)=O
c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl
NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Cl)S(=O)(=O)C1CCCCC1
NS(=O)(=O)c1cc(C(=O)NCCCO)c(cc1Cl)S(=O)(=O)c1ccccc1
CCCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)c1ccccc1)S(N)(=O)=O
CCCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O
COC(=O)CCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)Cc1ccccc1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)c1ccccc1
NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(cc1Cl)S(=O)(=O)c1ccccc1
NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(cc1Cl)S(=O)(=O)C1CCCCC1
CCCCNC(=O)c1cc(c(Br)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1
NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(SCc2ccccc2)cc1Cl
NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl
NC(=O)c1cc(c(Cl)cc1SC1CCCCC1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCO)c(SCc2ccccc2)cc1Cl
CCCCNC(=O)c1cc(c(cc1SCCc2ccccc2)Cl)S(=O)(=O)N
NS(=O)(=O)c1cc(C(=O)NCCO)c(Sc2ccccc2)cc1Br
CCCCNC(=O)c1cc(c(Br)cc1Sc1ccccc1)S(N)(=O)=O
CCCCNC(=O)c1cc(c(Br)cc1SCCO)S(N)(=O)=O
NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Cl)S(=O)(=O)Cc1ccccc1
COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O
CCCCNC(=O)c1cc(c(Br)cc1S(=O)(=O)c1ccccc1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(Sc2ccccc2)cc1Cl
NS(=O)(=O)c1cc(C(=O)NCCO)c(SCc2ccccc2)cc1Br
NS(=O)(=O)c1cc(C(=O)NCCCO)c(cc1Cl)S(=O)(=O)C1CCCCC1
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
COCCNC(=O)c1cc(c(Cl)cc1SC1CCCCC1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(SCCO)cc1Cl
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)Cc1ccccc1
NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(SC2CCCCC2)cc1Cl
COC(=O)CCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(SCc2ccccc2)cc1Cl
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)CCO
CCCCNC(=O)c1cc(c(Br)cc1SCCc1ccccc1)S(N)(=O)=O
COC(=O)CCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N
c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N
CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(cc1)S(N)(=O)=O)C2=O
NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
CC1CCCC2(C1)NC(=O)N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)C2=O
NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)cc1
CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc([Se]Cc3ccc(cc3)S(N)(=O)=O)cc1)C2=O
NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCCC4)C3=O)cc2)cc1
CC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(cc1)S(N)(=O)=O)C2=O
c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N
NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
NS(=O)(=O)c1ccc(cc1)N1CCN(C1=O)c1ccc(F)cc1F
NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F
CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O
COc1cc(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN(C)CCN(C)CCN(C)CCN(C)C
C(CCCN)CCN
C(CCN)CCN
NCCNc1cccc2ccccc12
c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN
FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F
CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F
CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C
FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
CC(C)(C)OC(=O)N(CCCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCNC(=O)C(F)(F)F
FC(F)(F)C(=O)NCCNCCNCCNC(=O)C(F)(F)F
CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C
CC(=O)NCCNc1cccc2ccccc12
C(CNCCNCCN)N
C(CCNCCCN)CNCCCN
C(CCNCCCN)CN
NCCNCCCNCCN
c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N
c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N
CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
C1c2ccccc2-c2[nH]c3ccccc3c12
COc1cccc-2c1Cc1c-2[nH]c2ccccc12
COc1ccc-2c(Cc3c-2[nH]c2ccccc32)c1
COc1ccc2Cc3c([nH]c4ccccc34)-c2c1
COc1ccc-2c(Cc3c-2[nH]c2ccccc32)c1OC
COc1ccc(OC)c-2c1Cc1c-2[nH]c2ccccc12
COc1cc2Cc3c([nH]c4ccccc34)-c2cc1OC
COc1cc2Cc3c([nH]c4ccccc34)-c2c(OC)c1
C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1
Fc1ccc-2c(Cc3c-2[nH]c2ccccc32)c1
Clc1ccc-2c(Cc3c-2[nH]c2ccccc32)c1
Brc1ccc-2c(Cc3c-2[nH]c2ccccc32)c1
Oc1cccc-2c1Cc1c-2[nH]c2ccccc12
Oc1ccc-2c(Cc3c-2[nH]c2ccccc32)c1
Oc1ccc2Cc3c([nH]c4ccccc34)-c2c1
Oc1cccc2Cc3c([nH]c4ccccc34)-c12
Oc1ccc-2c(Cc3c-2[nH]c2ccccc32)c1O
Oc1ccc(O)c-2c1Cc1c-2[nH]c2ccccc12
Oc1cc2Cc3c([nH]c4ccccc34)-c2cc1O
Oc1cc2Cc3c([nH]c4ccccc34)-c2c(O)c1
COc1ccccc1OC
c1ccc2c(c1)cc[nH]2
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)N
CC[Hg]Sc1ccccc1C(=O)O
c1ccc2c(c1)C=CC(=O)O2
CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(=C2C)Cl
c1ccc2c(c1)C=CC(=O)N2
O\N=c1\ccc2ccccc2o1
Cc1cc(C)o\c(c1)=N\O
OC(=S)c1ccccc1
[O-][n+]1ccccc1S
CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC
Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N
c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl
NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
c1cc(ccc1CCN)S(=O)(=O)N
Nc1ccc(cc1F)S(N)(=O)=O
Cc1ccc(cc1)S(=O)(=O)N
Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Nc1c(Br)cc(cc1Br)S(N)(=O)=O
Nc1ccc(cc1Cl)S(N)(=O)=O
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
c1cc(ccc1C(=O)O)S(=O)(=O)N
Cn1nc(sc1=N)S(N)(=O)=O
Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
NS(=O)(=O)c1ccc(CO)cc1
c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N
c1cc(ccc1CCO)S(=O)(=O)N
CC(=O)Nc1cc2c(O)c(N=Nc3ccc(cc3)S(N)(=O)=O)c(cc2cc1S(O)(=O)=O)S(O)(=O)=O |w:10.9|
Nc1c(F)cc(cc1I)S(N)(=O)=O
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F
c1cc(ccc1CN)S(=O)(=O)N
Nc1ccccc1S(N)(=O)=O
c1(nnc(s1)S(=O)(=O)N)N
c1ccc2c(c1)C(=O)NS2(=O)=O
NNc1ccccc1S(N)(=O)=O
Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r|
CC(=O)N[C@H](COC)C(=O)NCc1ccccc1
O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13|
NCc1ccc2oc(=O)ccc2c1
OCc1ccc2oc(=O)ccc2c1
CCOC(=O)c1cc2ccc(OC)cc2oc1=O
CCOC(=O)c1cc2cc(CO)ccc2oc1=O
COC(=O)c1cc2cc(CO)ccc2oc1=O
OC(=O)c1cc2ccccc2sc1=O
COc1cccc2cc(C(O)=O)c(=O)oc12
OCc1ccc2oc(=O)c(cc2c1)C(O)=O
COc1ccc2oc(=O)c(cc2c1)C(O)=O
Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O
OC(=O)c1cc2ccccc2oc1=O
COc1ccc2c(cc(=O)oc2c1)C(O)=O
O=c1ccc2ccc(CCc3ccccc3)cc2o1
O=c1ccc2ccc(OCc3ccccc3)cc2o1
CCCCOc1ccc2ccc(=O)oc2c1
CCCOc1ccc2ccc(=O)oc2c1
CCOc1ccc2ccc(=O)oc2c1
COc1ccc2c(c1)OC(=O)C=C2
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
COc1cc(cc(c1O)OC)C(=O)O
c1c(cc(c(c1O)O)O)C(=O)O
COc1cc(ccc1O)\C=C\C(=O)O
c1cc(c(cc1\C=C\C(=O)O)O)O
c1cc(ccc1/C=C/C(=O)O)O
NS(=O)(=O)N
CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O)N
NS(=O)(=O)c1nnc(NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |TLB:18:17:20:12.13.14,18:13:20:19.17.16|
NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
c1ccc(c(c1)\C=C\C(=O)O)O
Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3ncccc3-c12
NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(ccc3-c12)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(Cl)ccc3-c12
COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O
OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F
NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F
C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F
NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1NC1CCCCCCCCCCC1
C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O
NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1
NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1
NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1
NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1
NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1
NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1