Compound Name

SMILES String

Nc1ccccc1S(N)(=O)=O

c1cc(ccc1N)S(=O)(=O)N

c1cc(ccc1CCC(=O)O)S(=O)(=O)N

Cc1ccc(cc1)S(=O)(=O)N

c1cc(ccc1CN)S(=O)(=O)N

c1cc(ccc1CCN)S(=O)(=O)N

Nc1ccc(cc1F)S(N)(=O)=O

Nc1ccc(cc1Cl)S(N)(=O)=O

Nc1ccc(cc1Br)S(N)(=O)=O

Nc1ccc(cc1I)S(N)(=O)=O

c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F

c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N

c1(nnc(s1)S(=O)(=O)N)N

Cn1nc(sc1=N)S(N)(=O)=O

Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O

Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O

Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O

Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1

NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl

NS(=O)(=O)c1ccc(CO)cc1

c1cc(ccc1CCO)S(=O)(=O)N

c1cc(ccc1C(=O)O)S(=O)(=O)N

CC(=O)Nc1nnc(s1)S(=O)(=O)N

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

CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C

CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC

c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)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|

COc1ccc(cc1C(=O)NCC1CCCN1C)S(N)(=O)=O

c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl

c1ccc2c(c1)c(no2)CS(=O)(=O)N

Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1

c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N

c1ccc2c(c1)C(=O)NS2(=O)=O

Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O

Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O

Nc1c(F)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O

Nc1c(F)cc(cc1Cl)S(N)(=O)=O

Nc1c(F)cc(cc1Br)S(N)(=O)=O

Nc1c(F)cc(cc1I)S(N)(=O)=O

c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N

Nc1c(Cl)cc(cc1Br)S(N)(=O)=O

Nc1c(Cl)cc(cc1I)S(N)(=O)=O

Nc1c(Br)cc(cc1Br)S(N)(=O)=O

c1cc(ccc1C(=O)O)Br

c1cc(ccc1C(=O)O)I

OC(=O)c1ccc(cc1)C#N

CC(=O)Nc1ccc(cc1)C(=O)O

c1cc(ccc1C(=O)O)[N+](=O)[O-]

C1C[C@H](CNC1)C(=O)O

c1ccc(c(c1)\C=C\C(=O)O)O

c1cc(ccc1/C=C/C(=O)O)O

c1cc(c(cc1\C=C\C(=O)O)O)O

COc1cc(ccc1O)\C=C\C(=O)O

NC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1 |(8.2,-44.53,;6.87,-45.29,;6.87,-46.84,;5.53,-47.6,;5.53,-49.14,;4.2,-46.84,;2.87,-47.6,;1.53,-46.83,;1.53,-45.29,;.2,-47.6,;.06,-49.13,;-1.45,-49.47,;-2.22,-50.81,;-3.76,-50.81,;-4.53,-49.48,;-3.76,-48.15,;-2.24,-48.15,;-1.21,-46.98,;-1.64,-45.03,;-.5,-44,;.97,-44.47,;-.83,-42.49,;.31,-41.45,;-2.29,-42.02,;-2.62,-40.52,;-3.43,-43.06,;-4.9,-42.59,;-3.1,-44.57,;-4.24,-45.6,;-6.07,-49.48,;-7.59,-49.48,;-6.07,-47.95,;-6.07,-51.03,;4.2,-45.29,;2.86,-44.53,;5.53,-44.53,)|

COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C

Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C

Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2C)S(N)(=O)=O)c(C)c1 |(7.26,-10.03,;5.72,-10.03,;4.94,-8.69,;3.41,-8.7,;2.63,-7.37,;2.65,-10.03,;1.11,-10.03,;.34,-11.36,;1.11,-12.69,;-1.2,-11.36,;-2.12,-12.62,;-3.59,-12.14,;-4.92,-12.91,;-6.26,-12.14,;-6.26,-10.59,;-4.93,-9.82,;-3.59,-10.59,;-2.12,-10.11,;-1.64,-8.64,;-.13,-8.33,;.34,-6.86,;-.69,-5.72,;-2.2,-6.04,;-2.67,-7.51,;-4.18,-7.83,;-7.59,-9.82,;-8.93,-9.05,;-6.82,-8.49,;-8.35,-11.16,;3.41,-11.36,;2.64,-12.7,;4.95,-11.36,)|

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Br)cc2)S(N)(=O)=O)c(C)c1

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Br)S(N)(=O)=O)c(C)c1 |(27.27,-43.91,;25.73,-43.92,;24.95,-42.58,;23.41,-42.59,;22.64,-41.25,;22.65,-43.91,;21.11,-43.91,;20.34,-45.25,;21.11,-46.58,;18.8,-45.25,;17.89,-46.5,;16.41,-46.03,;15.08,-46.8,;13.75,-46.03,;13.75,-44.48,;15.08,-43.71,;16.41,-44.47,;17.89,-43.99,;18.36,-42.53,;19.87,-42.21,;20.35,-40.75,;19.32,-39.6,;17.8,-39.93,;17.33,-41.39,;15.83,-41.72,;12.41,-43.71,;11.08,-42.94,;13.18,-42.38,;11.65,-45.05,;23.42,-45.25,;22.64,-46.58,;24.95,-45.25,)|

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Cl)c2)S(N)(=O)=O)c(C)c1

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Cl)S(N)(=O)=O)c(C)c1 |(7.6,-34.02,;6.06,-34.02,;5.28,-32.69,;3.75,-32.69,;2.97,-31.36,;2.99,-34.02,;1.45,-34.02,;.68,-35.36,;1.45,-36.69,;-.86,-35.36,;-1.77,-36.61,;-3.25,-36.13,;-4.58,-36.9,;-5.92,-36.13,;-5.91,-34.59,;-4.58,-33.82,;-3.25,-34.58,;-1.77,-34.1,;-1.3,-32.64,;.21,-32.32,;.69,-30.86,;-.35,-29.71,;-1.86,-30.04,;-2.33,-31.5,;-3.83,-31.83,;-7.25,-33.82,;-8.59,-33.05,;-6.48,-32.48,;-8.01,-35.15,;3.75,-35.36,;2.98,-36.69,;5.29,-35.36,)|

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(F)cc2)S(N)(=O)=O)c(C)c1

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(F)c2)S(N)(=O)=O)c(C)c1

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2F)S(N)(=O)=O)c(C)c1 |(24.35,-15,;22.81,-15.01,;22.03,-13.67,;20.49,-13.68,;19.72,-12.34,;19.73,-15,;18.19,-15,;17.42,-16.34,;18.19,-17.67,;15.88,-16.34,;14.97,-17.59,;13.5,-17.12,;12.16,-17.89,;10.83,-17.12,;10.83,-15.57,;12.16,-14.8,;13.5,-15.56,;14.97,-15.08,;15.45,-13.62,;16.95,-13.3,;17.43,-11.84,;16.4,-10.69,;14.89,-11.02,;14.42,-12.48,;12.91,-12.81,;9.5,-14.8,;8.16,-14.03,;10.27,-13.47,;8.73,-16.14,;20.5,-16.34,;19.73,-17.67,;22.04,-16.34,)|

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2)S(N)(=O)=O)c(C)c1

NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3CCCc3c2)cc1

NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1

NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1

NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1

NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1

c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N

COc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C)c1

NS(=O)(=O)c1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1

c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N

Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C

NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1

NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1

NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1

c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F

CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O

NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1

NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1

c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N

NS(=O)(=O)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1

c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N

COc1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O

CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1

CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N

CC(C)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1

CCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1

CCCCOc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1

CCCCCCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1

c1cc(ccc1CCO)O

c1cc(ccc1CC(=O)O)O

COc1ccc(cc1)CC(=O)N

c1cc(c(cc1CC(=O)O)Cl)O

NC(=O)Cc1ccc(O)c(Cl)c1

COC(=O)\C=C\C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(O)=O |r|

COC(=O)\C=C\C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O |r|

COc1cc(C=C2N=C(N)NC2=O)ccc1O |w:5.4,t:7|

NC1=NC(=Cc2ccc(O)c(O)c2)C(=O)N1 |w:4.4,t:1|

COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12

COc1cc(CO)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12

COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r|

COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r|

C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O

Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl

Oc1ccc(CC(=O)NCCc2ccccc2)cc1Cl

COc1cccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)c1

COc1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1OC

c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N

COCCNC(=O)Cc1ccc(O)c(Cl)c1

CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1

CCCCNC(=O)Cc1ccc(O)c(Cl)c1

c1ccc(cc1)O

NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10|

Nc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O

CNc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O

CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O

NS(=O)(=O)c1ccc(cc1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1

CN(CS([O-])(=O)=O)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O

NS(=O)(=O)c1cccc(c1)N=Nc1ccc(O)cc1 |w:10.10|

Nc1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O

CN(C)c1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O

NS(=O)(=O)c1cccc(c1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1

CN(CS([O-])(=O)=O)c1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O

[O-]S(=O)(=O)CNc1ccccc1

CN(CS([O-])(=O)=O)c1ccccc1

CC(=O)Nc1cc2c(O)c(N=Nc3ccc(cc3)S(N)(=O)=O)c(cc2cc1S(O)(=O)=O)S(O)(=O)=O |w:10.9|

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