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smiles (string)filename (string)image (image)
"C1CCN2C(C1)CCC(=C2)c1ccccc1"
"C5026.png"
"CC(C)CC1(C)OCC(CO)O1"
"A-4998.png"
"OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)(C)C"
"C2646.png"
"[Na+].[Na+].[Na+].[Na+].Nc1ccc(cc1[S]([O-])(=O)=O)N=Nc2ccc(N=Nc3ccc(N\N=C/4C(=O)c5ccc(NC(=O)c6ccccc6)cc5C=C4[S]([O-])(=O)=O)c7ccc(cc37)[S]([O-])(=O)=O)c8ccc(cc28)[S]([O-])(=O)=O"
"A-3730.png"
"Clc1ccc2Oc3ccc(Cl)cc3Oc2c1"
"B-2856.png"
"CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O"
"C-1916.png"
"[Na+].[Na+].[Na+].[Na+].[O-][S](=O)(=O)OCC[S](=O)(=O)c1ccc2c(ccc(N\N=C/3C(=O)c4c(NC(=O)c5ccccc5)cc(cc4C=C3[S]([O-])(=O)=O)[S]([O-])(=O)=O)c2[S]([O-])(=O)=O)c1"
"A-3769.png"
"ClC1=CC=C(OC2=CC(=C(Cl)C(=C2)Cl)Cl)C(=C1)Cl"
"C-2247.png"
"O=C1C=CC(=O)c2c1cccc2"
"C6549.png"
"ClC(Cl)(Cl)C(Cl)(Cl)Cl"
"C-43.png"
"NCCCNCCSP(=O)(O)O"
"C9721.png"
"NC(=O)c1ccccc1I"
"C7428.png"
"CN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cccc2.Cl.Cl"
"C2655.png"
"CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC.Cl"
"C7139.png"
"FC1=C(F)C(C1(F)F)(F)F"
"C7326.png"
"CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC"
"C5826.png"
"NC(=O)c1cccnc1"
"A-659.png"
"CC(O)C(Cl)(Cl)Cl"
"B-197.png"
"[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccc[n+](c1)c2nc(NCCNc3ccc4N=C5C(=C6Oc7c(ccc(NCCNc8nc(Nc9cc(ccc9[S]([O-])(=O)=O)[S]([O-])(=O)=O)nc(n8)[n+]%10cccc(c%10)C([O-])=O)c7[S]([O-])(=O)=O)N=C6C(=C5Oc4c3[S]([O-])(=O)=O)Cl)Cl)nc(Nc%11cc(ccc%11[S]([O-])(=O)=O)[S]([O-])(=O)=O)n2"
"A-2953.png"
"CCCCCC(=O)OC1=CC=C(NC(C)=O)C=C1"
"C-1901.png"
"CC1CCOC1"
"A-4484.png"
"CCN(CCC#N)c1ccc(cc1)N=Nc2c(Br)cc(cc2Br)[N+]([O-])=O"
"A-2487.png"
"O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl"
"C465.png"
"Cl[S](=O)(=O)c1ccc(I)cc1"
"B-420.png"
"CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N)/c1ccco1"
"C4889.png"
"CSC(=[N+]1CCCCC1)c1c[nH]c2c1cccc2.[I-]"
"C7255.png"
"CC[N+](CC)(CC)CC.[OH-]"
"C9214.png"
"CCOC1=C2OC3C(O)C=CC4C5CC(=C2C43CCN5C)C=C1"
"F-963.png"
"[Zn++].[Br-].[Br-]"
"A-3629.png"
"CN(CC(CN1c2ccccc2CCc2c1cccc2)C)C"
"C3259.png"
"C/C=C/CSC(C(=O)NC)(C)C"
"C6488.png"
"OCC[N+]([O-])=O"
"B-1392.png"
"Clc1cc(Cl)c(cc1c1ccccc1)Cl"
"C125.png"
"[Ru+3].[Ru+3].[Ru+3].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O"
"A-3326.png"
"Brc1cnc(c(c1)Br)OCCCCCCNCCSS(=O)(=O)O"
"C3481.png"
"[Na+].[Na+].[Na+].[Na+].OCCN(CCO)c1nc(Nc2ccc(cc2)[S]([O-])(=O)=O)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)[S]([O-])(=O)=O)nc(n5)N(CCO)CCO)c(c4)[S]([O-])(=O)=O)cc3[S]([O-])(=O)=O)n1"
"A-827.png"
"CC1CCC2=CC(=CC3=C2N1C=C(C(O)=O)C3=O)F"
"C-2201.png"
"NCCCNC(CSS(=O)(=O)O)C.Cl"
"C9602.png"
"CC(=O)CCc1ccccc1"
"C7609.png"
"OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@@H]([C@H]2O)NC)[C@@H]2[C@H]([C@H]1O)O[C@@]1(O2)O[C@H]([C@@H](CO)N)[C@@H]([C@@H]([C@H]1O)O)O"
"C9306.png"
"CN1CC2CCC(C1)N2CCOC(=O)c1ccc(cc1)N"
"C7944.png"
"CCCCCCCCC(=O)NNC(=O)C1=CC=NC=C1"
"C-1902.png"
"CCNC(C(C)(C)C)(C)C.Cl"
"C7227.png"
"ClCCN(C(=O)N[C@@H]1CCCC[C@H]1OC(=O)C)N=O"
"C5601.png"
"CC(C)CC(C(=O)O)N(CCC#N)CCC#N"
"F-141.png"
"C[C@H](C(C)(C)C)O"
"C1468.png"
"CC(Cc1ccc(cc1)O)N.Br"
"C9123.png"
"CCCCc1cc2ccccc2c(n1)OCCN(C)C.Cl"
"C4175.png"
"CC1N(CCOC1c1ccccc1)Cc1c(=O)n(n(c1C)C)c1ccccc1"
"C4761.png"
"C1C(=O)C=C2C(C)=CC3C4CCC(C(=O)C)(OC(=O)C)C4(C)CCC3C2(C)C1"
"E-731.png"
"C\C=C(/C)C(=O)OCCC(C)CCC=C(C)C"
"A-2142.png"
"Oc1ccc(cc1[N+]([O-])=O)c2ccccc2"
"B-4530.png"
"O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C"
"C2895.png"
"OC(COc1c(ccc(c1C(=O)OC(C)C)C)C(C)C)CNC(C)C"
"C3728.png"
"CS(=O)(=O)O.CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2"
"C2270.png"
"CC(C)OCCO"
"A-5387.png"
"CN(C(=O)C(c1ccccc1)c1ccccc1)C"
"C729.png"
"Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C"
"C244.png"
"CCO[P](=S)(OCC)SC[S](=O)C(C)(C)C"
"B-2365.png"
"CO[P]1(=S)OCc2ccccc2O1"
"B-4238.png"
"COc1cc2c(cc1OC)CC[NH+](C2C(Cc1ccc(cc1)Cl)C)C.[Br-]"
"C2764.png"
"S=C1SCN(CN1Cc1ccccc1)Cc1ccccc1"
"C2941.png"
"ClC(COP(=O)(O)O)(Cl)Cl"
"C7355.png"
"CCC(OC(=O)c1ccccc1)(CN(C)C)CN(C)C.Cl"
"C7036.png"
"O[C@@H](C=O)[C@H]1OC(=O)[C@@H](O)[C@H]1O"
"B-2755.png"
"OC(=O)Cc1cc(O)ccc1O"
"B-946.png"
"COC(=O)CC(=O)OC"
"A-5155.png"
"OC(c1ccccc1)(c1ccccc1)CCN1CCCCC1.Cl"
"C4151.png"
"OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O.CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1"
"C2042.png"
"CCC1(CC=C)C(=O)NC(=O)NC1=O"
"C-128.png"
"CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C"
"G-1141.png"
"Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)CCc1ccc(cc1)c1ccccc1.Cl"
"C2089.png"
"CCC(=O)N1C(=O)NC=C(F)C1=O"
"C-1190.png"
"CCCCCC1CCC(CC1)c2ccc(CCC)cc2"
"A-6070.png"
"COC1=C2OC=CC2=C(CN)C2=C1OC(=O)C=C2"
"F-807.png"
"[O-][N+](=O)c1ccc(s1)/C=C/c1scc(n1)CN1CCOCC1.Cl"
"C5658.png"
"COc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C"
"C411.png"
"OCCNC(Cc1cccc(c1)C(F)(F)F)C"
"C7304.png"
"CCOC(=O)c1cnn(C)c1[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2"
"B-3339.png"
"CC(C)(C)Cc1ccccc1"
"G-1107.png"
"Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C"
"A-2087.png"
"CN(CCC(c1ccccc1)(C(=O)N)CCN(C)C)C"
"C7267.png"
"CN[C@H]([C@@H](c1ccccc1)OC(=O)C)C"
"C8019.png"
"OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)N(N=O)C"
"C7532.png"
"C[Si](C)(O[Si](C)(C)C=C)C=C"
"A-2180.png"
"[Na+].[Na+].[Na+].CCN(c1ccccc1)c2nc(Cl)nc(Nc3cc(cc4C=C(\C(=N/Nc5ccc(C)cc5[S]([O-])(=O)=O)C(=O)c34)[S]([O-])(=O)=O)[S]([O-])(=O)=O)n2"
"A-4415.png"
"O=C(c1ccccc1O)/C=C/c1ccccc1"
"C4657.png"
"O=C1CC2C(C1(C)CC2)(C)C"
"C7170.png"
"Clc1cccc(c1)c2cc(Cl)c(Cl)cc2Cl"
"B-3191.png"
"CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H](CN(C)C)C.Cl"
"C4086.png"
"COC1=CC2=C(C=C1OC)C34CCN5CC6=CCOC7CC(=O)N2C3C7C6CC45"
"C-2376.png"
"OC(C(Cl)(Cl)Cl)c1ccccc1"
"C5918.png"
"NCCNCCN"
"B-623.png"
"Nc1ncc2nccnc2n1"
"B-1479.png"
"ClCCN(c1cc(ccc1C)C(=O)O)CCCl"
"C3322.png"
"O=C(C1CCCCC1)c2ccccc2"
"A-1550.png"
"[Na+].[Na+].[Na+].[Na+].[Na+].[Cu++].[O-]C(=O)c1cc(ccc1NNC(=N/Nc2cc(cc([N-]c3nc(Cl)nc(n3)N=C4C=C(C(C=C4[S]([O-])(=O)=O)=Nc5nc(Cl)nc(Nc6cccc(c6)[S]([O-])(=O)=O)n5)[S]([O-])(=O)=O)c2[O-])[S]([O-])(=O)=O)\c7ccccc7)[S]([O-])(=O)=O.[H+]"
"A-4105.png"
"Nc1nccc(n1)/C=C/c1ncc(n1C)[N+](=O)[O-]"
"C6963.png"
"OCC(=O)[C@H]1CC[C@H]2[C@@]31C[C@H](O[C@@H]3O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C"
"C480.png"
"CNCC(O)C1=CC(O)=C(O)C=C1"
"F-465.png"
End of preview (truncated to 100 rows)

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