smiles
stringlengths 15
246
| p1
stringlengths 3
183
| p2
stringlengths 3
174
|
|---|---|---|
O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC[C@@H](Cc2nn[nH]n2)C1 | FC(F)(F)c1ccn(C2CC2)n1 | Cc1nn[nH]n1 |
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)no1 | Cc1cc([C@@H]2CCCN2)no1 | C[C@@H]1C[C@H]1C(N)=O |
CS(=O)(=O)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 | Cc1cccc(OCCN2CCCCC2)c1 | CS(=O)(=O)N(Cc1cccc(O)c1)C1CC1 |
CC(C)c1nc2oc3c(N(CCO)C(=S)N/N=C/c4c[nH]c5ccccc45)ncnc3c2c2c1COC(C)(C)C2 | CNC(=S)N/N=C/c1c[nH]c2ccccc12 | CC(C)c1nc2oc3c(N(C)CCO)ncnc3c2c2c1COC(C)(C)C2 |
COc1c(CNCc2cn(C)nc2-c2cccnc2)cc(Cl)c(F)c1NC(=O)CCN1C(=S)NC(c2ccccn2)C1c1ccc(C)n1C | Cn1cc(CNCc2ccc(F)c(Cl)c2)c(-c2cccnc2)n1 | COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1C |
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=CC=NN2[C@@H]3C(=O)C(C)(C)C)c(C)c1 | CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@@H]2C=CC=NN12 | Cc1ccc(N2C(=O)[C@H]3[C@H](CN4N=CC=C[C@@H]34)C2=O)c(C)c1 |
CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C(=O)NC1CCCOC1)c1cccnc1 | CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 | O=C(Cc1cccnc1)N[C@H]1CCCOC1 |
COC(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 | COC(=O)CNC=O | O=[SH](=O)N1CCCCCC1 |
COc1cc(C(NC(=O)CCNc2ccccc2)c2cc(N[C@@H]3CCO[C@]4(CCSC4)C3)n3ncnc3n2)ccn1 | Cc1cc(N[C@@H]2CCO[C@]3(CCSC3)C2)n2ncnc2n1 | COc1cc(CNC(=O)CCNc2ccccc2)ccn1 |
CCCCNS(=O)(=O)c1cc(CSc2nnc(C)n2-c2cccc(C)c2)cc(NC(=O)C(=O)C(C)(C)C)c1C | CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)C(C)(C)C)c1 | Cc1ccc(CSc2nnc(C)n2-c2cccc(C)c2)cc1 |
CCN1CCN(C[C@H](C)CNC(=O)Nc2cc(OC)ccc2C)CC1 | CCN1CCNCC1 | COc1ccc(C)cc1 |
COc1cc2c(c(C(Sc3nnc(NC4CC4)s3)c3ccccc3)c1)N(C(=O)c1ccc(Cn3ccccc3=O)o1)CCC2 | COc1ccc2c(c1)CCCN2C(=O)c1ccc(Cn2ccccc2=O)o1 | c1ccc(C(Sc2nnc(NC3CC3)s2)c2ccccc2)cc1 |
O=C1NCCCC[C@@H]1NC(=O)N1CCN(c2cnccn2)CC1 | O=C1CCCCCN1 | c1cnccn1 |
COc1c(N2C(=S)NC(c3ccccn3)C2c2ccco2)cc(C(=O)NCCCN2CCCCCC2=O)c(F)c1S(=O)(=O)N(C)C | COc1ccc(C(=O)NCCCN2CCCCCC2=O)cc1S(=O)(=O)N(C)C | Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)ccc1F |
CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C(C(=O)N1CCCC(c2nc(C)n3ccsc23)C1)C(C)n1nc(C)nc1C | CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C(C)C | Cc1nc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)n1 |
CC[C@H](C)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c2c1C(CCCNC)c1ccccc1C(O)C2O | CC[C@H](C)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 | CNCCCC1c2ccccc2[C@H](O)[C@@H](O)c2ccccc21 |
Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H](C4CC4)C3)cc2F)n1 | O=C(Nc1cccc(F)c1)N1CC[C@H](C2CC2)C1 | Cc1cc(C)n(-c2ccc(NC=O)cc2F)n1 |
Cc1noc2nc(C3CC3)cc(C(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12 | O=CNCC(=O)N[C@@H]1CCS(=O)(=O)C1 | Cc1noc2nc(C3CC3)cc(C(=O)NCC=O)c12 |
CS[C@H]1CCC[C@H]1NC(=O)NCc1cccc(-n2cncn2)c1 | CSC1CCCC1 | c1nc[nH]n1 |
COc1ccc(O)c(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2ccc(C(=O)N3CCC(NC(C)Cn4nc(C)cc4C)CC3)c(F)c2)c1 | COc1ccc(O)c(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1 | Cc1ccc(C(=O)N2CCC(N[C@@H](C)Cn3nc(C)cc3C)CC2)cc1 |
Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Br | Cc1cc(NC=O)ccc1Br | Nc1ccc(Cl)c(Cl)c1 |
Cc1ccc(-c2cnn3c(NCc4cccnc4)cc(C)nc23)cc1 | Cc1ccccc1 | NCc1cccnc1 |
C#CCCC1(CCC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)N=N1 | CCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C | C#CCCC1(CCC(=O)N[C@H]2CC(=O)N[C@H]2C)N=N1 |
O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C1Cc2ccccc2C1 | O=CC1Cc2ccccc2C1 | O[C@H]1CCNC1 |
C=CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 | C=CCN(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 | C=CCN(Cc1ccc(Cl)s1)C(=O)COC=O |
CCCCc1noc([C@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)n1 | COc1ccc(-c2nncn2C[C@@H]2CCCO2)cc1 | CCCCc1noc([C@H](C)Sc2nnc(-c3ccc(OC)cc3)[nH]2)n1 |
Cc1nnc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)s1 | O=CCSc1ccc(NC(=O)C2CC2)nn1 | Cc1nnc(NC(=O)CSc2cccnn2)s1 |
Cc1cc2occ(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1CC1CN(C(=O)NCc2c(C)nn(C)c2C)CCO1 | Cc1cc2occ(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1C | Cc1nn(C)c(C)c1CNC(=O)N1CCO[C@H](Cc2ccccc2)C1 |
CCn1c([C@H](C)Oc2cccc(OC)c2C(C)N2CCN(C(=O)CN3CCN(c4ccccc4F)CC3)CC2)n[nH]c1=S | CCn1c([C@H](C)Oc2cccc(OC)c2)n[nH]c1=S | C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1 |
C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C | C[C@@H]1CCC[C@H](C)N1 | CC(=O)NC(C)(C)C |
Cc1cc(O)ccc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 | Cc1cccc(O)c1 | Fc1ccccc1 |
CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]1CCCCCN1C | Fc1ccc2nc[nH]c2c1 | CN1CCCCCC1 |
COC(=O)CSc1nc2nc3c(cn2n1)C(=O)CC(c1cc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc(Cl)c1Cl)C3 | O=C(O)COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 | COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1)C3 |
COc1cc(C#N)ccc1CN1CCC[C@H](N2CCNC2=O)C1 | COc1cccc(C#N)c1 | O=C1NCCN1 |
CC(C)C(OC(=O)N1CCCN(C(=O)[C@H]2CCCOC2)CC1)c1noc2c1C(c1ccc(O)cc1)C1=C(CC(c3ccc(O)cc3)CC1=O)N2 | CC(C)COC(=O)N1CCCN(C(=O)[C@H]2CCCOC2)CC1 | Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 |
CCOC(=O)CCCCCCC(=O)c1ccc(OC(C)C)cc1 | CCOC(=O)CC | CC(C)Oc1ccccc1 |
Cc1cc(NN)nc(NS(=O)(=O)c2ccccc2Cl)n1 | NS(=O)(=O)c1ccccc1Cl | Cc1cc(NN)nc(N[SH](=O)=O)n1 |
CN(C)C(=O)C[C@@]1(O)CCCN(c2cnc(-c3ccccc3)cn2)C1 | O[C@H]1CCCN(c2cnc(-c3ccccc3)cn2)C1 | CN(C)C(=O)C[C@@]1(O)CCCN(c2cnccn2)C1 |
CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O | Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1 | C=C1SC(=O)N(CC(=O)NCCCC)C1=O |
COc1ccc(N2C(SCC(=O)OCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC | COc1ccccc1OC | O=C(CS)OCc1ccccc1 |
COC(=O)c1sc(/N=C(\O)C2=C(c3ccccc3)S(=O)(=O)CCO2)nc1C | N=C(O)C1=C(c2ccccc2)S(=O)(=O)CCO1 | COC(=O)c1sc(/N=C(\O)C2=CS(=O)(=O)CCO2)nc1C |
Cc1noc(C)c1C[C@H](C)C(=O)N(C[C@@H](C)C(=O)O)C1CC1 | Cc1cc(C)on1 | CC(C)C(=O)O |
CCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2CCOCC2)cc1 | CCOc1ccc([SH](=O)=O)cc1 | Clc1ccccc1 |
CCCOc1cc(Cl)cc(C(F)(F)F)c1 | CCCO | FC(F)F |
CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCc3ccccc3)CC1)C2=O | CCCN1CCC2(CC1)NC(=O)NC2=O | Cc1ccccc1 |
Cc1ccccc1NC(=O)c1cn(CCNC(=O)CC2CCCC2)nn1 | NC(=O)c1cn(CCNC(=O)CC2CCCC2)nn1 | Cc1ccccc1NC(=O)c1cn(CCNC=O)nn1 |
Cc1ccc2c(c1[C@@]1(O)CCN(CC[C@H]3CCS(=O)(=O)C3)C1)C1NC(=O)CC(C(=O)Nc3nccs3)N1C2=O | Cc1ccccc1[C@@]1(O)CCN(CC[C@H]2CCS(=O)(=O)C2)C1 | O=C1C[C@@H](C(=O)Nc2nccs2)N2C(=O)c3ccccc3[C@H]2N1 |
CCOC(=O)[C@@H]1CCCN(c2cc(C)c3cc4c(c(S(=O)(=O)NC(C(=O)OC(C)C(=O)Nc5cc(Cl)cc(Cl)c5)C(C)C)c3n2)OCO4)C1 | CCOC(=O)[C@@H]1CCCN(c2cc(C)c3cc4c(cc3n2)OCO4)C1 | CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 |
COc1cc(N[C@H]2CCCN(C(=O)C3(C(=O)O)CC=CC3)C2)cc(OC)c1 | N[C@H]1CCCN(C(=O)C2(C(=O)O)CC=CC2)C1 | COc1cc(N[C@H]2CCCN(C=O)C2)cc(OC)c1 |
O=C(O)CC[C@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 | O=C(C[C@H]1OCCc2ccccc21)N1CCCCC1 | CC(=O)N1CCC[C@H](CCC(=O)O)C1 |
Cc1cc([C@@H]2CCCN(C(=O)CCCOc3ccccc3)C2)n[nH]1 | Cc1ccn[nH]1 | CCCOc1ccccc1 |
C=C(C)CN(Cc1ccc(OC)c2ccccc12)C(C)n1nncc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 | CCn1nncc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 | C=C(C)CN(CC)Cc1ccc(OC)c2ccccc12 |
C[C@H](C(=O)N(C)Cc1ncon1)N1CCN(C)CC1 | Cc1ncon1 | CN1CCNCC1 |
COC(=O)N1CCC[C@H]1C(=O)OCc1ncc(-c2c(OC(C)C(=O)N3CCCCC3C(=O)O)cc(F)c3c(C)cc(=O)oc23)o1 | COC(=O)N1CCC[C@H]1C(=O)OCc1ncc(-c2ccc(F)cc2)o1 | Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCCC[C@H]3C(=O)O)ccc12 |
CCOc1cccc(CN2CCO[C@H](c3nncn3C)C2)n1 | CN1CCO[C@H](c2nncn2C)C1 | CCOc1cccc(CN2CCOCC2)n1 |
Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 | O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC1 | Cc1cccc(NC(=O)[C@@H]2CCCN2[SH](=O)=O)n1 |
Cc1cnccc1N1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 | O=C(c1n[nH]c2c1CCC2)N1CCNCC1 | Cc1cnccc1N1CCN(C=O)CC1 |
COc1cccc(-c2nc(COC(=O)CCc3c[nH]c4ccccc34)cs2)c1 | COc1ccccc1 | c1ccc2[nH]ccc2c1 |
CCC(c1ccc(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)c(=O)n1C)C(C#N)NC(=O)c1cn(Cc2cccs2)nn1 | CC(C)c1ccc(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)c(=O)n1C | CCC[C@@H](C#N)NC(=O)c1cn(Cc2cccs2)nn1 |
CCOc1c(OCC(=O)O)cc(Br)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1[C@H]1CSc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O | O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 | CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCC(=O)O |
Cn1ccnc1CN1CCN(C(=O)c2ccc(O)nc2)CC1 | Cc1nccn1C | Oc1ccccn1 |
O=C(Cc1c(F)cccc1Cl)NC[C@H]1CCCN(CC(=O)N2CCCC2)C1 | Cc1c(F)cccc1Cl | CC(=O)N1CCCC1 |
C[C@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc(NC(N)=O)cc1 | CCc1ccc(NC(N)=O)cc1 | Fc1ccccc1 |
Nc1nc(CNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)n[nH]1 | CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 | Nc1nc(CNC(=O)c2ccn[nH]2)n[nH]1 |
COCCc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc2)cc1 | COCCc1ccccc1 | CC(C)CC(=O)O |
Cc1nn(C)cc1CN1C(=O)CC[C@H]1CCNCc1cccc(C(F)(F)F)c1 | Cc1cn(C)nc1C | FC(F)(F)c1ccccc1 |
O=C(CSc1nnc2c(n1)[nH]c1cc(Cc3ccccc3OC(=O)Cc3csc(-c4ccccn4)n3)c(F)cc12)NC12CC3CC(CC(C3)C1)C2 | O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)NC12CC3CC(CC(C3)C1)C2 | O=C(Cc1csc(-c2ccccn2)n1)Oc1ccccc1Cc1ccccc1 |
CC(=O)N1CCC[C@H]1c1nc(C)cc(N2CC(C(=O)O)C2)n1 | CC(=O)N1CCCC1 | O=C(O)C1CNC1 |
CCn1nc(CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c2ccccc21 | CCn1ncc2ccccc21 | c1c[nH]cn1 |
CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cccnc4NC)C3)noc2n1 | CCc1cc(C(F)(F)F)c2cnoc2n1 | CNc1ncccc1C |
Cc1cccc(-n2c(=O)c3c4c(sc3n3c(SCC(=O)N(C)c5nccnc5O[C@H]5CCCN(C(=O)c6ccno6)C5)nnc23)COC(C)(C)C4)c1 | CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccno2)C1 | Cc1cccc(-n2c(=O)c3c4c(sc3n3c(SCC(N)=O)nnc23)COC(C)(C)C4)c1 |
O=C(CN1C(=O)CNC1=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 | c1ccc(-c2n[nH]c3c2CCNCC3)cc1 | O=C(CN1C(=O)CNC1=O)N1CCc2cn[nH]c2CC1 |
COC(=O)[C@@H]1C[C@H](O)CN1Cc1nc2ccc(F)cc2o1 | COC=O | Fc1ccc2ncoc2c1 |
COCCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 | COc1ccccc1NC(C)=O | COCCCNS(=O)(=O)c1ccc(OC)cc1 |
O=C(c1cccc(CNc2cnc3ccccc3n2)c1)N1CCCCC1 | c1ccc(CNc2cnc3ccccc3n2)cc1 | NCc1cccc(C(=O)N2CCCCC2)c1 |
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC1CCC2(CC1)OCCO2 | Fc1ccccc1 | C1CCC2(CC1)OCCO2 |
Cc1ccc(-n2nnnc2N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 | C1C[C@@H]2O[C@H]1C[C@H]2Nc1nnn[nH]1 | Cc1ccc(-n2nnnc2N)cc1 |
COc1ccc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)cn1 | COc1ccccn1 | O[C@@H]1CCNC1 |
COC1(C(F)(F)F)CCN(c2nccc3cccnc23)CC1 | FC(F)F | c1cnc2cnccc2c1 |
COCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 | O=C1CN(Cc2ccc(Cl)c(F)c2)CCN1 | COCCCNC(=O)C[C@@H]1C(=O)NCCN1C |
COc1ccc(Nc2nc3c(S(=O)(=O)c4cc(C)ccc4C)nnn3c3ccccc23)cc1OC | Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N)c2ccccc23)c1 | COc1ccc(Nc2nc3c([SH](=O)=O)nnn3c3ccccc23)cc1OC |
CC(C)c1ccc(OCC(=O)NCc2nncn2C)cc1 | CC(C)c1ccccc1 | Cc1nncn1C |
NCc1cccc(-c2ccc(C(=O)N=[S@]3(=O)CCC[C@]4(CCCN4)C3)cc2)c1 | NCc1ccccc1 | O=[S@@H]1CCC[C@]2(CCCN2)C1 |
COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccccc1 | COc1cc(C)ccc1OS(=O)(=O)c1ccccc1 | COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1O |
CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 | CNCc1ccc(C)cc1 | c1ccc2c(c1)OCO2 |
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(OC)c(Br)c(OCC(=O)N2CC3CN(c4ccc(C(C)(C)C)nn4)CC3C2)c1 | COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(Br)cc1 | COc1cccc(OCC(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)c1 |
O=C(OCc1ccccc1)N1CCC(F)(F)[C@H](O)C1 | COC(=O)N1CCC(F)(F)[C@H](O)C1 | O=COCc1ccccc1 |
CCCCc1nnc(NC(=O)CN(C)Cc2cc(C)on2)s1 | Cc1cc(CN(C)CC(N)=O)no1 | CCCCc1nnc(NC(=O)CNC)s1 |
O=C(O)CCc1cn([C@@H]2CC[C@H](C(=O)N3Cc4cc(F)c(F)cc4C3)C2)nn1 | O=C(C1CCCC1)N1Cc2cc(F)c(F)cc2C1 | O=C[C@H]1CC[C@@H](n2cc(CCC(=O)O)nn2)C1 |
Cc1c(C(=O)N[C@H](CC(C)C)C(=O)NCC2(C(=O)O)CCOCC2)cc(Cl)cc1S(=O)(=O)N(CCCCCC(=O)O)C1CCS(=O)(=O)C1 | Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCC1(C(=O)O)CCOCC1 | Cc1ccc(Cl)cc1S(=O)(=O)N(CCCCCC(=O)O)[C@@H]1CCS(=O)(=O)C1 |
COC(=O)CCN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 | CCC(=O)OC | c1ccc2c(c1)OCCO2 |
COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCc3[nH]c4c(Cl)ccc(-c5nnn(CC(=O)NC(C)Cn6ccnc6)n5)c4c3C2)c1 | COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 | C[C@@H](Cn1ccnc1)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 |
COc1cccc(-c2ocnc2Cc2ccc3c(c2)c(Sc2nnc(Cc4cccs4)n2C)nc2cc(C)nn23)n1 | Cc1cc2nc(Sc3nnc(Cc4cccs4)n3C)c3ccccc3n2n1 | COc1cccc(-c2ocnc2Cc2ccccc2)n1 |
CSc1ccc([C@@H](O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1 | CSc1ccccc1 | FC(F)(F)c1ccccc1 |
Cc1cc(C)n(CCN(C)Cc2cc(CN3CCCC3)cs2)n1 | CCn1nc(C)cc1C | CN1CCCC1 |
CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 | CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 | CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)[SH](=O)=O |
CSC[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)C(=O)O | CSCCC(=O)O | Cc1ccccc1 |
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Nc2ncccn2)c1 | FC(F)(F)c1ccccc1 | Nc1ncccn1 |
Cn1nc(C(=O)N2CC3CCN(C(Nc4nc5ccccc5o4)c4cnn([C@@]5(C)CCS(=O)(=O)C5)c4)CC3(C(=O)O)C2)ccc1=O | C[C@]1(n2cc(CNc3nc4ccccc4o3)cn2)CCS(=O)(=O)C1 | CN1CC[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@@]2(C(=O)O)C1 |
CCCOc1ccccc1CCCNC(=S)Nc1cccc(C(=O)OCC)c1 | CCCOc1ccccc1 | CCOC(=O)c1ccccc1 |
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