smiles
stringlengths 5
185
| safe
stringlengths 8
648
|
|---|---|
CCC1CCC(C[NH3+])C([NH+]2CCOCC2CO)C1 | C15CCC6C3C1.[NH+]13CCOCC14.CC5.C6[NH3+].C4O |
CC[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)CC(=O)[O-] | c15ccc([N+](=O)[O-])cc1Cl.C4(C)CC(=O)[O-].[NH+]234.CC2.C35 |
CCOC(=O)Cc1csc(NC(=O)CSc2ccc(NC(C)=O)cc2)n1 | c1%11ccc9cc1.c1%10csc8n1.C3(=O)C%10.C4(=O)C7.C5(C)=O.CC6.O36.N48.S7%11.N59 |
CC[NH+](CC(=O)Nc1ccccc1c1ccccc1)Cc1ccc(Br)s1 | c16ccccc18.c18ccccc1.c17ccc(Br)s1.C4C2=O.[NH+]345.CC3.N26.C57 |
O=C(Cl)c1cnn2ccc(c3ccccc3C(F)(F)F)nc12 | c14cnn2ccc6nc12.c16ccccc15.C5(F)(F)F.O=C4Cl |
CSC(C)C[NH2+]C(C)C(=O)NCCC(C)C | C3(C)C1=O.C4CC(C)C.C5(C)C2.CS5.[NH2+]23.N14 |
CCC(CC)(CNc1nc(C(N)=O)cs1)C(=O)[O-] | CCC(C2)(CC)C(=O)[O-].c13nc4cs1.C4(N)=O.N23 |
COc1cccnc1Cc1cnc(NCCCSCc2nc[nH]c2C)[nH]c1=O | c1%10cnc7[nH]c1=O.c13cccnc18.c19nc[nH]c1C.C4CC5.CO3.C8%10.N47.S56.C69 |
COc1cc(I)cc(OC(F)(F)F)n1 | c12cc(I)cc3n1.O3C(F)(F)F.CO2 |
COC1CCC2=[N+](CCCCS(=O)(=O)O)C(=Cc3oc4ccc(c5ccccc5)cc4[n+]3CCCCS(=O)(=O)O)C=CC2C1 | C16CCC2=[N+](CCCCS(=O)(=O)O)C=7C=CC2C1.C=7c1oc2ccc8cc2[n+]1CCCCS(=O)(=O)O.c18ccccc1.CO6 |
O=C(NO)c1ccc(OC(=O)C2(c3ccc(c4ccccc4)cc3)CCCCC2)cc1 | c18ccc6cc1.C179CCCCC1.c19ccc%10cc1.c1%10ccccc1.O=C8NO.C57=O.O56 |
CCCCCCCCCCOCn1cc[n+](Cc2ccccc2)c1C(O)(c1ccccc1)c1ccccc1 | CCCCCCCCCC3.n14cc[n+](C6)c15.c16ccccc1.c17ccccc1.c18ccccc1.C578O.O3C4 |
Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3cc(C(=O)NCC(C)C)ccc3Cl)CC2)cccc1C(=O)NC1CCCCC1C | Cc1c%17cccc19.c15cc8ccc1Cl.[NH+]1%14CCC7CC1.C16CCCCC1C.C4(=O)C%14C.C%15CC%11=O.C%16C(C)C.C%107=O.C%128=O.C%139=O.N4%17.N%10%15.N%115.N%12%16.N%136 |
CC(C)C(=O)N1CCN(C(=O)C2CCCN2C(=O)C(F)(F)F)CC1 | N13CCN4CC1.C16CCCN15.C5(=O)C(F)(F)F.CC(C)C3=O.C46=O |
O=C1c2ccccc2C(=O)c2c1cccc2c1ccccc1Br | O=C1c2ccccc2C(=O)c2c3cccc21.c13ccccc1Br |
C[NH+](C)CCC[NH2+]CC1C2CCc3ccccc3C21 | C17C2CCc3ccccc3C12.C4CC5.C[NH+]4C.[NH2+]56.C67 |
CCc1ccc2nc(N(CC[NH+](CC)CC)C(=O)Cc3ccc4c(c3)OCO4)sc2c1 | c1%11ccc2nc%10sc2c1.c1%12ccc2c(c1)OCO2.C5(=O)C%12.N56%10.C6C7.[NH+]789.CC%11.C8C.C9C |
COC(=O)c1ccc(N)c(N2CCCS(=O)(=O)CC2)n1 | N14CCCS(=O)(=O)CC1.c15ccc(N)c4n1.C35=O.CO3 |
Cc1ccc(NC(=O)Cn2c(C)nc3[nH]c(C)cc3c2=O)cc1 | n16c(C)nc2[nH]c(C)cc2c1=O.Cc1ccc5cc1.C4(=O)C6.N45 |
COc1c(Cl)ncnc1Nc1ccc(C)c(I)c1 | c12c3ncnc1Cl.c14ccc(C)c(I)c1.CO2.N34 |
CCCCCCCOC(=O)c1ccccc1C(=O)OCCC(C)C | CCCCCCC4.c16ccccc17.C5CC(C)C.C26=O.C37=O.O24.O35 |
Fc1ccc(Oc2cccc(N3CCC[NH+](C4CCC4)CC3)n2)cc1F | Fc1ccc6cc1F.N17CCC[NH+]8CC1.c15cccc7n1.C18CCC1.O56 |
C[NH+]=C(NCCc1c[nH]c2ccc(F)cc12)NCc1ccccn1 | c16c[nH]c2ccc(F)cc12.C[NH+]=C(N3)N4.c15ccccn1.C3C6.C45 |
O=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)C1CNNC1 | c18cccnc15.N15CCN6CC1.c16ccccn1.C17CNNC1.O=C37.N34.C48 |
CCOC(=O)c1ccc(c2ccc(C)cc2)o1 | c16ccc(C)cc1.c15ccc6o1.C35=O.CC4.O34 |
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(OCc4cccc(Cl)c4)ccc4ccccc34)c(=O)n2C1c1ccccc1Cl | C5(=O)C1=C(C)N=c2sc(=Cc3c8ccc4ccccc34)c(=O)n2C1c1ccccc1Cl.c19cccc(Cl)c1.CC6.O56.O78.C79 |
CCC(=O)OC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C | C189C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C.CCC5=O.C7(=O)CC.C69=O.O56.O78 |
CC1=CC=CC(=C2C=CC(=NOS(C)(=O)=O)C=C2)C1C | C1=3C=CC(=NOS(C)(=O)=O)C=C1.CC1=CC=CC=3C1C |
O=C(Cc1cc(F)cc(F)c1)c1ccc(F)cc1I | c13cc(F)cc(F)c1.c12ccc(F)cc1I.O=C2C3 |
C=CCOc1ccc(C=C2SC(N3CCN(c4ccccc4F)CC3)=[NH+]C2=O)cc1 | C1=8SC(N2CCN7CC2)=[NH+]C1=O.c16ccc(C=8)cc1.c17ccccc1F.C=CC5.O56 |
Cc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2c2cccc(F)c2)c(C)c1 | n16c8nc(C)c7c1=O.Cc1ccc5c(C)c1.c18cccc(F)c1.C4(=O)C6.C7CO.N45 |
Cc1noc(NS(=O)(=O)c2cccc3c(NC(C)C)cccc23)c1C | S5(=O)(=O)c1cccc2c7cccc12.Cc1noc6c1C.C4(C)C.N56.N47 |
O=C(NC1CCOCC1Oc1cccc(F)c1)c1sccc1Cl | C15CCOCC13.c14cccc(F)c1.c16sccc1Cl.O=C26.N25.O34 |
C[NH+](CCOc1ccc(Br)cc1)CC(=O)NC(=O)NCc1ccccc1 | c16ccc(Br)cc1.c1%10ccccc1.C8C2=O.C[NH+]78.C7C5.C34=O.O56.N23.N49.C9%10 |
COC(=O)C1CCC(N2CCN(c3ccc(C45CC[NH+](CC4)CC5)cc3)C2=O)CC1 | C12%10CC[NH+](CC1)CC2.C17CCC8CC1.N18CCN9C1=O.c19ccc%10cc1.C67=O.CO6 |
C[NH+]1CCc2c(cc(c3ccccc3F)c(=O)n2Cc2ccncc2)C1 | C[NH+]1CCc2c(cc6c(=O)n24)C1.c16ccccc1F.c15ccncc1.C45 |
CC(N1C(=O)c2ccccc2C1=O)S(=O)(=O)NC1CCCC(Nc2cc(I)cc(Cl)n2)C1 | N17C(=O)c2ccccc2C1=O.c14cc(I)cc(Cl)n1.C15CCCC6C1.CC7S3(=O)=O.N35.N46 |
CC(C)(C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc(Br)cc1 | N13CCC5CC1.c17ccc(Br)cc1.CC7(C)C3=O.C16CC1.[NH2+]45.C46 |
CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)C(Cc1ccccc1)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 | S%14(=O)(=O)c1ccc6cc1.c19ccccc13.c14cccc%10c1.C%13(C5)C7=O.c15ccccc1.C%11C2=O.N%11%143.N2%12%13.CC8.O89.C%124.O%10C.N7C.S6C |
CC[NH+](CCCCCl)CCOC | C3CCCCl.[NH+]234.C4C1.CC2.O1C |
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC1CS(=O)(=O)CC1N1CCCC1 | N15c2cccc3cccc(c23)S1(=O)=O.C16CS(=O)(=O)CC17.N17CCCC1.O=C4C5.N46 |
c1ccc(Cc2nnc(SCC[NH+]3CCOCC3)n2c2ccccc2)cc1 | c16nnc9n18.c1ccc7cc1.[NH+]14CCOCC1.c18ccccc1.C5C4.C67.S59 |
COC(=O)C1(C(=O)OC)Cc2cccc3c2C(C1)CC3(C)C | C167Cc2cccc3c2C(C1)CC3(C)C.C46=O.C57=O.CO4.O5C |
Cc1nnc(CS(=O)(=O)C(C)C(=O)NC2CCC(C)CC2)n1C | C5S(=O)(=O)C(C)C3=O.Cc1nnc5n1C.C14CCC(C)CC1.N34 |
COc1ccc(C(C)(C)C)cc1C([O-])=C1C(=O)C(=O)N(c2cccc(C(=O)OC(C)C)c2)C1c1cccc(C)c1 | c15ccc8cc1C=7[O-].C1=7C(=O)C(=O)N9C1%10.c19cccc6c1.c1%10cccc(C)c1.C8(C)(C)C.C36=O.C4(C)C.CO5.O34 |
Cc1ccc2c(c1)[nH]c(=S)n2c1ccc(Cl)c(Br)c1 | Cc1ccc2c(c1)[nH]c(=S)n23.c13ccc(Cl)c(Br)c1 |
[NH3+]CC1CN(C(=O)c2cc3cc(Br)ccc3o2)CC1c1ccccc1 | c15cc2cc(Br)ccc2o1.C16CN4CC17.c17ccccc1.C45=O.[NH3+]C6 |
O=C(Cc1ccc2c(c1)OCO2)N1CCC(n2nc(c3ccccc3)oc2=O)CC1 | c15ccc2c(c1)OCO2.N14CCC6CC1.n16nc7oc1=O.c17ccccc1.O=C4C5 |
Cc1cccc(NCc2nnc(SCC(=O)Nc3ccccc3Cl)n2c2ccccc2)c1 | Cc1cccc7c1.c19nnc%11n1%10.c18ccccc1Cl.c1%10ccccc1.C6C4=O.N57.C59.S6%11.N48 |
Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ncc1[N+](=O)[O-] | Cc1cc4ncc1[N+](=O)[O-].S3(=O)(=O)c1cccc(Cl)c1.[N-]34 |
CC(C)CCOC(C)C(=O)OCCOc1ccccc1[N+](=O)[O-] | c17ccccc1[N+](=O)[O-].CC(C)CC3.C4(C)C2=O.C5C6.O34.O25.O67 |
COc1ccccc1CC(=O)NCc1ccc(F)c(F)c1 | c16ccc(F)c(F)c1.c13ccccc15.C5C2=O.CO3.N24.C46 |
CC(C)Cn1nccc1C1([NH3+])CCCCC1 | C13([NH3+])CCCCC1.n12nccc13.CC(C)C2 |
[NH3+]C(CO)C(=O)N(CCC(=O)Nc1ccc(NC(=O)CCN(C(=O)c2ccc[nH]2)C(=O)C([NH3+])CO)cc1)C(=O)c1ccc[nH]1 | c1%14ccc4cc1.[NH3+]C(CO)C3=O.C%10(=O)C([NH3+])CO.C%12CC7=O.C8(=O)CC%13.c15ccc[nH]1.c16ccc[nH]1.N3%11%12.N9%10%13.C95=O.C%116=O.N7%14.N84 |
CCOC1CC(OC(C)=O)C(Sc2ccccc2)=C(C(=O)OC)O1 | C16CC7C(S8)=C(C4=O)O1.c18ccccc1.C3(C)=O.CC5.O56.O37.O4C |
CCOc1cc(C=Nc2cc(Cl)ccc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 | c16cc(C=Nc2cc(Cl)ccc2C)cc(Br)c17.c18cccc(C)c1.C5C3=O.CC4.O46.O57.N38 |
CCCS(=O)(=O)c1ccc2nc(N3C(=O)C(C)(C)[N+](Cc4ccncc4)(OC(=O)C(F)(F)F)C3=O)[nH]c2c1 | CCCS(=O)(=O)c1ccc2nc8[nH]c2c1.N18C(=O)C(C)(C)[N+]6(O5)C1=O.c17ccncc1.C5(=O)C(F)(F)F.C67 |
Nc1nccc(NC2CC[NH+](Cc3ccccc3)C2)n1 | Nc1nccc5n1.C16CC[NH+]4C1.c17ccccc1.N56.C47 |
[NH3+]C(c1cc(F)ccc1Cl)c1cc(Br)ccc1Cl | c12cc(F)ccc1Cl.c13cc(Br)ccc1Cl.[NH3+]C23 |
CCOc1cc(C2NC(=O)NC(C(C)C)=C2C(=O)OC)cc([N+](=O)[O-])c1[O-] | C16NC(=O)NC(C(C)C)=C1C3=O.c15cc6cc([N+](=O)[O-])c1[O-].CC4.O45.O3C |
O=c1oc2ccc(Cl)cc2cc1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | O=c1oc2ccc(Cl)cc2cc13.c13ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
C=Cc1cc[n+](CC(=O)OCC=C(C)CCC=C(C)C)cc1 | C=Cc1cc[n+](CC2=O)cc1.C=4(C)CCC=5.C3C=4.C=5(C)C.O23 |
CCCC(=O)NCc1sccc1C#CC[NH3+] | c14sccc1C#CC[NH3+].CCCC2=O.N23.C34 |
CCCC(NC(=O)C1CC2(CC(CC)=NO2)C[NH+]1C)C(OCC)C(=O)NC1CC1 | C19CC2(CC(CC)=NO2)C[NH+]1C.CCCC7C5C4=O.C39=O.C18CC1.N37.O56.C6C.N48 |
CONC(=O)C1CC(N(C)C2=[NH+]C(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)CN1C(=O)OC(C)(C)C | C=%10c1ccc2c(cnn2%11)c1.N8(C)C1=[NH+]C(=O)C=%10S1.c1%12ccc(Cl)cc1%13.C19CC8CN16.CONC9=O.C%13(F)(F)F.C7(C)(C)C.C56=O.C%11%12.O57 |
COc1cc(c2cc3nccc(c4ccc5c(c4)OCO5)c3o2)cc(OC)c1OC | c19cc2nccc%10c2o1.c16cc9cc7c18.c1%10ccc2c(c1)OCO2.CO6.O7C.O8C |
O=C(C=Cc1ccc(Sc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 | C=7c1ccc%10c8c19.S5(=O)(=O)c1ccc(Cl)cc1.c1%11cccc6c1.N14CCOCC1.O=C4C=7.C8(F)(F)F.C9(F)(F)F.S%10%11.N56 |
CCOP(=O)(CCCOCC1CCCCC1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(C)cc2)C1)OCC | C3(=O)C1=NN(c2ccc(Cl)cc2Cl)C%10C1.O4P(=O)(CCC5)O7.C19CCCCC18.c1%10ccc(C)cc1.CC4.O56.C69.N38.C7C |
CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1Cl | c14ccc(C=Nn2c6nnc28)cc1Cl.c17ccc(Cl)c(Cl)c1.CC3.O34.C6C.S58.C57 |
O=C(Nc1ccnn1Cc1cc(Br)cs1)c1cc(C2CC2)nn1c1ccccc1 | c15cc9nn18.c14ccnn16.c17cc(Br)cs1.c18ccccc1.O=C35.C19CC1.N34.C67 |
CCCCCN(CCO)C(=O)c1cn2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2[nH+]1 | c1%11cn2c%10cccc2[nH+]1.C12%12CC3CC(CC(C3)C1)C2.CCCCC8.C7(=O)C%12.N689.C9CO.C6%11=O.N7%10 |
CCC([NH3+])c1nc(C(=O)NCCc2cccc(F)c2)cs1 | c17cccc(F)c1.c16nc5cs1.CCC6[NH3+].C35=O.C4C7.N34 |
CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)C(Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 | S4(=O)(=O)c1ccc%11c%12c1.c1%10ccc5cc1.c16ccc(Cl)cc1.C%15(C7)C8=O.c17ccccc1.C%13C3=O.N%1345.N3%14%15.CC9.O9%10.C%146.N8C.O%11C.O%12C |
C#CCNC(=O)C(C)NC(=O)c1ccc(CBr)cc1 | c16ccc7cc1.C2(=O)C5C.C#CC4.C36=O.N24.N35.C7Br |
CN1CCc2sc(CC(=O)[O-])cc21 | CN1CCc2sc3cc21.C3C(=O)[O-] |
COC(CN1CCC[NH+](Cc2ccccc2)C(C)(CO)C1)OC | N15CCC[NH+]6C7(C)C1.c18ccccc1.C34C5.CO3.C68.C7O.O4C |
COc1ccc(C(=O)C(C)OC(=O)c2ccc(C3SCCCS3)cc2)cc1 | c16ccc7cc1.c18ccc9cc1.C19SCCCS1.C7(=O)C5C.C48=O.CO6.O45 |
CC(C)COC(=O)C(C[NH3+])CC(C)C | C1(=O)C(C[NH3+])CC(C)C.CC(C)C2.O12 |
[C-]#[N+]c1ccc(C(=O)OC(C)C2=CC=CC2)cc1 | c15ccc6cc1.C4(C)C1=CC=CC1.C36=O.[C-]#[N+]5.O34 |
CC(=C[NH+]1CCC2(CC1)CC(c1ccc(C)cc1)=NO2)C(=O)c1ccc(C(C)(C)C)cc1 | CC(=C[NH+]1CCC2(CC1)CC(c1ccc(C)cc1)=NO2)C3=O.c13ccc4cc1.C4(C)(C)C |
C=C1CC(OC(=O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)C2CCCC3(CCC4(OCCO4)C23)CC1O | C=C1CC8C2CCCC3(CCC4(OCCO4)C23)CC1O.c19ccccc1.c1%10ccccc1.c1%11ccccc1.C5(=O)C6.C79%10%11.O58.O67 |
Cc1ccc(NC(=O)c2cccnc2NN)cc1 | c15cccnc1NN.Cc1ccc4cc1.C35=O.N34 |
CC(C)C([NH2+]C1CCCC(C)(C)CC1)C(=O)[O-] | C13CCCC(C)(C)CC1.CC(C)C2C(=O)[O-].[NH2+]23 |
[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)NN=Cc2ccc(Cl)c(C(F)(F)F)c2)c1 | C%10(=O)NN=Cc1ccc(Cl)c%12c1.c17ccc8cc1%10.c1%11cccc9c1.N18CCCCC1.[N-]=[N+]=NCC%14.C4(=O)CC5.C%12(F)(F)F.C%15C%16.C%17C%18.C%19C%20.C%139=O.O%14%15.O%16%17.O%18%19.N4%20.S56.C6%11.N%137 |
COc1ccc(c2csc(c3nc(c4c(F)cccc4F)nn3C)c2)cc1 | c17c(F)cccc1F.c15ccc8cc1.c16nc7nn1C.c18csc6c1.CO5 |
CC12CCC3c4ccc(O)cc4CCC3C1CCC2CC(=O)CC(=O)CO | CC12CCC3c4ccc(O)cc4CCC3C1CCC25.C5C(=O)CC(=O)CO |
CCN(CC)c1ccc(C=NNC(=O)C[NH+](C)CCN(C)Cc2ccc(C#N)cc2)c(O)c1 | c19ccc(C=NNC(=O)C5)c(O)c1.c1%10ccc(C#N)cc1.N349.[NH+]56C.C6C7.N78C.CC3.C4C.C8%10 |
O=C(NCc1c(Sc2ncccc2CO)c(Cl)ccc1c1cccnc1)OCC1c2ccccc2-c2ccccc21 | C5C1c2ccccc2-c2ccccc21.c17c%11ccc(Cl)c1%10.c19ncccc18.c1%11cccnc1.O=C34.N46.C67.S9%10.C8O.O35 |
CC1(C)CCN(C(=O)CCc2ccnc3ccccc23)CCS1(=O)=O | CC1(C)CCN4CCS1(=O)=O.c15ccnc2ccccc12.C4(=O)CC5 |
Cc1cccc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)c1C | Cc1cccc6c1C.c15ccc7cc1Br.C3(=O)CCC4.C7(C)C.N36.O45 |
Cc1ccc(C)c(n2c(SCC(=O)N3c4ccccc4CC3C)nc3cc(c4ccccc4)sc3c2=O)c1 | n17c8nc2cc9sc2c1=O.N15c2ccccc2CC1C.Cc1ccc(C)c7c1.c19ccccc1.C6C5=O.S68 |
CCCCCCCCNC(=O)C(CCS(C)=O)NC(=O)OC(C)(C)C | C2(=O)C6CCS(C)=O.CCCCCCCC5.C4(C)(C)C.C13=O.N25.N36.O14 |
CCNC(NCCc1c[nH]c2cccc(C)c12)=[NH+]CCc1cccc(OC)c1O | c16c[nH]c2cccc(C)c12.N4C(N5)=[NH+]CC7.c17cccc3c1O.C5C6.CC4.O3C |
CCC(COC)n1c(CCCl)nc2ccc(OC)nc21 | n15c6nc2ccc4nc21.CCC5C3.C6CCl.O3C.O4C |
Cc1nc2ccccc2n(CC(=O)NN=Cc2ccc(C(F)(F)F)cc2)c1=O | C3C(=O)NN=Cc1ccc4cc1.Cc1nc2ccccc2n3c1=O.C4(F)(F)F |
COc1ccc2ccc(OC(=O)c3ccc(OC)c(S(=O)(=O)NC(C)C)c3)cc2c1 | c15ccc2ccc6cc2c1.c1%10ccc7c(S9(=O)=O)c1.C4%10=O.C8(C)C.CO5.O46.O7C.N89 |
CC(C)[Si]OCCCCc1ccccc1 | c13ccccc1.CC(C)[Si]O2.C2CCC3 |
CCC(=CC(=O)[O-])c1cnc(c2cc(C34CC5CC(CC(C5)C3)C4)c(OCc3ccccc3)cc2C)nc1 | CCC=8c1cnc%10nc1.C12%11CC3CC(CC(C3)C1)C2.c1%10cc%11c7cc1C.c19ccccc1.C=8C(=O)[O-].O67.C69 |
CC1CCC(N2C(=O)C[NH2+]C2c2cccc(Cl)c2)CC1C | CC1CCC3CC1C.N13C(=O)C[NH2+]C14.c14cccc(Cl)c1 |
CCn1cnnc1c1cccc(NC(=O)CC2CCCCC2)c1 | c17cccc4c1.n15cnnc17.C16CCCCC1.C3(=O)C6.CC5.N34 |
Subsets and Splits