clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -72.94 187 ⌀ | scaffold stringlengths 0 100 |
|---|---|---|---|
Cc1ccc(NCC(=O)NC(C)CC(C)NC(=O)c2cnc(C)s2)cc1 | CP002351309633 | -32.59 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
COCc1ncsc1C(=O)NCC(C)CN(C)C(=O)CNc1ccccc1 | CP002024278470 | -32.25 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
CCN(CC(=O)NCCCNC(=O)c1cnc(C#N)s1)c1ccccc1 | CP002814491440 | -30.74 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
COc1cccc(NCC(=O)NC(C)CCNC(=O)c2cncs2)c1 | CP003203051429 | -30.45 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
COc1cccc(NCC(=O)N(CCCNC(=O)c2cncs2)C(C)C)c1 | CP002109425787 | -28.77 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
CN(CCCNC(=O)c1scnc1Cl)C(=O)CNc1ccccc1 | CP003152397528 | -28.54 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
Cc1ccc(NCC(=O)NCCC(C)NC(=O)c2cncs2)cc1 | CP003440778388 | -28.18 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
CCN(CCCNC(=O)c1scnc1C)C(=O)CNc1ccc(C)cc1 | CP002739864275 | -28.02 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
Cc1ccc(NCC(=O)NCCCN(C)C(=O)c2sc(CO)nc2C)cc1 | CP002197831403 | -25.7 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
Cc1ccc(NCC(=O)NCCCN(C)C(=O)c2cnc(C(C)O)s2)cc1 | CP002197663934 | -24.4 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
CC(O)c1ncc(C(=O)NCC(O)CNC(=O)CN(C)c2ccccc2)s1 | CP002097829856 | -22.83 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
Cc1nc(N(C)C)sc1C(=O)NCC[C@H](C)NC(=O)CNc1ccccc1 | CP001884806014 | -22.05 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
CC(CCNC(=O)CN(C)c1ccccc1)N(C)C(=O)c1scnc1Cl | CP002575194745 | -21.71 | O=C(CNc1ccccc1)NCCCNC(=O)c1cncs1 |
Cn1cnc(C(=O)NC(CCCNc2nnc(C(C)(C)C)o2)c2ccccc2)c1 | CP000235784359 | -22.94 | O=C(NC(CCCNc1nnco1)c1ccccc1)c1c[nH]cn1 |
Cc1noc(CN(C)CCC2CCN(C(=O)CC3CC4CCC3C4)CC2)n1 | CP001384045437 | -44.51 | O=C(CC1CC2CCC1C2)N1CCC(CCNCc2ncno2)CC1 |
COCc1nc(C(=O)N2CCN(C(=O)c3ccc4ccnn4c3)C[C@@H]2C)co1 | CP001258204219 | -28.35 | O=C(c1ccc2ccnn2c1)N1CCN(C(=O)c2cocn2)CC1 |
Cc1cc(=O)[nH]cc1C(=O)NCCNC(=O)c1coc(C2CCC2)n1 | CP003257827836 | -26.07 | O=C(NCCNC(=O)c1coc(C2CCC2)n1)c1ccc(=O)[nH]c1 |
O=C(NCCN1CCC(NC(=O)C2CC=CCC2)CC1)c1ccc2nnnn2c1 | CP000266322115 | -32.88 | O=C(NCCN1CCC(NC(=O)C2CC=CCC2)CC1)c1ccc2nnnn2c1 |
COC(=O)CCn1nc(C)c(CN(CC2CCOCC2)C2CCC2)c1C | CP000886300619 | -23.91 | c1n[nH]cc1CN(CC1CCOCC1)C1CCC1 |
CC(C)c1noc(CCNC(=O)NC2CCCCC23CCNCC3)n1 | CP001574583043 | -17.65 | O=C(NCCc1ncno1)NC1CCCCC12CCNCC2 |
Cc1nc(C)c(C(=O)N2CCC2CNC(=O)C(C)NC(=O)c2ccoc2)nc1C | CP000141857128 | -25.92 | O=C(CNC(=O)c1ccoc1)NCC1CCN1C(=O)c1cnccn1 |
CN(C[C@H]1CCCCN1C(=O)c1cccc(C(N)=O)n1)C(=O)Cc1cnnn1C | CP000028825417 | -27.34 | O=C(Cc1cnn[nH]1)NC[C@H]1CCCCN1C(=O)c1ccccn1 |
O=C(Cc1ccn[nH]1)NC[C@H]1CC[C@H](NC(=O)c2cnn3c2CCCC3)CC1 | CP000913437474 | -23.42 | O=C(Cc1ccn[nH]1)NC[C@H]1CC[C@H](NC(=O)c2cnn3c2CCCC3)CC1 |
COc1nc(NC(CNC(=O)c2cc(O)ccn2)C2CC2)nc(OC)n1 | CP002042243337 | -25.82 | O=C(NCC(Nc1ncncn1)C1CC1)c1ccccn1 |
CCCC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2CCCc3ncnn32)C1 | CP003262877753 | -25.94 | O=C(N[C@@H]1CCNC1)C1CCCc2ncnn21 |
CCCOCCCC(=O)N1CC[C@@H](NC(=O)C2CCCc3ncnn32)C1 | CP002820864677 | -24.38 | O=C(N[C@@H]1CCNC1)C1CCCc2ncnn21 |
CN(C(=O)C1CCc2[nH]ncc2C1)C1CCN(C(=O)Cc2cc[nH]c2)CC1 | CP001973580210 | -26.53 | O=C(NC1CCN(C(=O)Cc2cc[nH]c2)CC1)C1CCc2[nH]ncc2C1 |
CCc1c[nH]cc1C(=O)N1CC2(C1)CN(C(=O)C1(CC)CCNC1=O)CCO2 | CP000954657366 | -14.76 | O=C1NCCC1C(=O)N1CCOC2(CN(C(=O)c3cc[nH]c3)C2)C1 |
Cc1nn(C)cc1CN1Cc2ccccc2CC1CNC(=O)C1COCCN1C | CP000077861419 | -31.85 | O=C(NCC1Cc2ccccc2CN1Cc1cn[nH]c1)C1COCCN1 |
Cc1ccn(CC(=O)N[C@H](C)C2CN(C(=O)CC3C=CCC3)C2)n1 | CP003392659542 | -23.58 | O=C(Cn1cccn1)NCC1CN(C(=O)CC2C=CCC2)C1 |
Cc1c(Cl)cnn1CC(=O)NC(C)C1(O)CN(C(=O)CC2C=CCC2)C1 | CP002652515168 | -22.52 | O=C(Cn1cccn1)NCC1CN(C(=O)CC2C=CCC2)C1 |
Cc1cnn(CC(=O)N[C@H](C)C2CN(C(=O)CC3C=CCC3)C2)c1 | CP003392310862 | -21.89 | O=C(Cn1cccn1)NCC1CN(C(=O)CC2C=CCC2)C1 |
Cn1cc(-c2ccc(C(=O)NC3(C)CN(c4nccc(CC#N)n4)C3)o2)cn1 | CP000442538566 | -28.87 | O=C(NC1CN(c2ncccn2)C1)c1ccc(-c2cn[nH]c2)o1 |
Cn1ncc2c(=O)[nH]c(NC(C)(C)CNC(=O)CC3CCC4(CCC4)O3)nc21 | CP000442324958 | -27.04 | O=C(CC1CCC2(CCC2)O1)NCCNc1nc2[nH]ncc2c(=O)[nH]1 |
CC1(C)COC(=O)C1NC(=O)c1ccc2ocnc2c1 | CP002478282808 | -18.22 | O=C(NC1CCOC1=O)c1ccc2ocnc2c1 |
CC1=NC(C(=O)N(C)CC2CCCN2C(=O)c2coc(=O)[nH]2)CS1 | CP003334946384 | -16.74 | O=C(NCC1CCCN1C(=O)c1coc(=O)[nH]1)C1CSC=N1 |
Cc1n[nH]c(CC(=O)N[C@@H](C)CNC(=O)CCC(=O)c2ccccc2)n1 | CP002836214750 | -24.91 | O=C(CCC(=O)c1ccccc1)NCCNC(=O)Cc1ncn[nH]1 |
O=C(N[C@H]1C[C@@H](CNc2nc3cc(Br)ccc3o2)C1)C1(O)CC1 | CP002911415841 | -29.79 | O=C(N[C@H]1C[C@@H](CNc2nc3ccccc3o2)C1)C1CC1 |
C=CCC1(C(=O)N[C@H]2C[C@@H](CNc3nc4cccc(C)c4o3)C2)CC1 | CP002461862444 | -22.42 | O=C(N[C@H]1C[C@@H](CNc2nc3ccccc3o2)C1)C1CC1 |
CC(=Cc1ccccn1)C(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 | CP003411332250 | -27.3 | O=C(C#CC1CC1)NCCCNC(=O)C=Cc1ccccn1 |
CCn1nc(C2CC2)cc1C(=O)NCC1(OC)CN(C(=O)c2nccnc2N)C1 | CP000048116676 | -25.83 | O=C(NCC1CN(C(=O)c2cnccn2)C1)c1cc(C2CC2)n[nH]1 |
Cc1csc2c(NCC(C3CC3)N(C)C(=O)C3CCC(C)O3)ncnc12 | CP001922941578 | -28.14 | O=C(NC(CNc1ncnc2ccsc12)C1CC1)C1CCCO1 |
O=C(N[C@H]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1)c1cnoc1 | CP003451640543 | -25.37 | O=C(N[C@H]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1)c1cnoc1 |
CCc1[nH]ccc1C(=O)N1CCC[C@H](CNC(=O)C=C2CCC(C)CC2)C1 | CP002021272456 | -26.16 | O=C(C=C1CCCCC1)NC[C@H]1CCCN(C(=O)c2cc[nH]c2)C1 |
Cc1cn2nc(NCCC(C)NC(=O)CC3CCN(C(C)C)CC3)sc2n1 | CP001430060963 | -46.75 | O=C(CC1CCNCC1)NCCCNc1nn2ccnc2s1 |
CCc1ccc(C=CC(=O)N[C@H]2C[C@H](CNC(=O)c3n[nH]c(COC)n3)C2)cc1 | CP000099213214 | -28.49 | O=C(C=Cc1ccccc1)N[C@H]1C[C@H](CNC(=O)c2nc[nH]n2)C1 |
Cc1nnccc1C(=O)N1CCC[C@H](CNC(=O)C2CCCCN2C(N)=O)C1 | CP000840209095 | -25.9 | O=C(NC[C@H]1CCCN(C(=O)c2ccnnc2)C1)C1CCCCN1 |
COc1nsc(OC)c1C(=O)NCC1(CCNC(=O)C2CC(C)(F)C2)CC1 | CP001598765357 | -24.25 | O=C(NCC1(CCNC(=O)C2CCC2)CC1)c1cnsc1 |
Cc1nsc(N)c1C(=O)NCC1(CCNC(=O)C2(C(F)F)CCC2)CC1 | CP002356362494 | -21.92 | O=C(NCC1(CCNC(=O)C2CCC2)CC1)c1cnsc1 |
Cc1nscc1C(=O)NCC1(CCNC(=O)C2CCC2)CC1 | CP003479627203 | -21.56 | O=C(NCC1(CCNC(=O)C2CCC2)CC1)c1cnsc1 |
Cc1cc(F)cc(C(=O)N2CCCCC(NC(=O)CCOc3ccccc3)C2)c1 | CP000374759827 | -31.64 | O=C(CCOc1ccccc1)NC1CCCCN(C(=O)c2ccccc2)C1 |
CC(C)n1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cc5n(n4)CCCC5)C[C@@H]32)nn1 | CP001132566911 | -25.96 | O=C(N[C@H]1[C@@H]2CN(C(=O)c3cc4n(n3)CCCC4)C[C@@H]21)c1c[nH]nn1 |
Cn1c(=O)[nH]c2cc(C(=O)NC3CCCCCN(C(=O)C45CC4C5)C3)ccc21 | CP000558886275 | null | O=C(NC1CCCCCN(C(=O)C23CC2C3)C1)c1ccc2[nH]c(=O)[nH]c2c1 |
Cn1c(=O)[nH]c2ccc(C(=O)NC3CCCCCN(C(=O)C45CC4C5)C3)cc21 | CP000558886312 | null | O=C(NC1CCCCCN(C(=O)C23CC2C3)C1)c1ccc2[nH]c(=O)[nH]c2c1 |
CC(C)(C)n1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3occc3C3CC3)C2)cn1 | CP001082319978 | -24.7 | O=C(NC[C@H]1C[C@H](NC(=O)c2occc2C2CC2)C1)c1cn[nH]c1 |
CCCN1CCN(C(=O)c2n[nH]c3ncccc23)CC1 | CP002486210757 | -46.39 | O=C(c1n[nH]c2ncccc12)N1CCNCC1 |
CC(C)(C)OCCCN1CCN(C(=O)c2n[nH]c3ncccc23)CC1 | CP001224570401 | -42.05 | O=C(c1n[nH]c2ncccc12)N1CCNCC1 |
O=C(NCC1CCCN(C(=O)C2CCCCC2O)CC1)c1cc2ccccn2c1 | CP000124026905 | -28.6 | O=C(NCC1CCCN(C(=O)C2CCCCC2)CC1)c1cc2ccccn2c1 |
Cc1cc(F)c(C(=O)N2CCOCC2CN(C)C(=O)COCC2CC2)cc1F | CP000585272858 | -27.39 | O=C(COCC1CC1)NCC1COCCN1C(=O)c1ccccc1 |
Cc1cccc(CCCNC(=O)C2CCCCN2C(=O)OC(C)(C)C)n1 | CP001044149516 | -21.68 | O=C(NCCCc1ccccn1)C1CCCCN1 |
CC1CC1C(=O)N1C[C@]2(C)CN(C(=O)c3cc(O)c4ccoc4c3)C[C@]2(C)C1 | CP001080064797 | -23.22 | O=C(c1ccc2ccoc2c1)N1CC2CN(C(=O)C3CC3)CC2C1 |
Cc1cccc(-c2nnc3n2CC(C(=O)NCC#Cc2ccccc2)CC3)c1 | CP000391252906 | -28.09 | O=C(NCC#Cc1ccccc1)C1CCc2nnc(-c3ccccc3)n2C1 |
CSC1(C(=O)NC(CNC(=O)COCc2ccnn2C)C2CCCC2)CC1 | CP001793134503 | -25.01 | O=C(COCc1ccn[nH]1)NCC(NC(=O)C1CC1)C1CCCC1 |
CC1(C)CC2(CC(C(=O)N3CCCC(C)(CNC(=O)C45CC4C5)C3)C2)C1 | CP002724071645 | -21.38 | O=C(C1CC2(CCC2)C1)N1CCCC(CNC(=O)C23CC2C3)C1 |
N#Cc1ccc(CN2CCC(NCC3COCc4ccccc43)CC2)cc1 | CP000528048109 | -29.95 | c1ccc(CN2CCC(NCC3COCc4ccccc43)CC2)cc1 |
Cc1ccc2c(C(=O)NC3COC4(C3)CN(C(=O)c3cnnn3C)C4)c[nH]c2c1 | CP000112662999 | -23.46 | O=C(NC1COC2(C1)CN(C(=O)c1cnn[nH]1)C2)c1c[nH]c2ccccc12 |
CC1CC(NC(=O)c2cc(O)ccn2)CN1C(=O)c1cnc2c(F)cccn12 | CP000780755322 | -40.76 | O=C(NC1CCN(C(=O)c2cnc3ccccn23)C1)c1ccccn1 |
Cc1cnc(C(=O)N(C)C2CCN(C(=O)c3c(C)nc4ccccn34)C2)cc1C | CP000356292875 | -33.49 | O=C(NC1CCN(C(=O)c2cnc3ccccn23)C1)c1ccccn1 |
CNc1ccc(C(=O)N(C)C2CCN(C(=O)c3c(C)nc4ccccn34)C2)nc1 | CP000356293090 | -31.35 | O=C(NC1CCN(C(=O)c2cnc3ccccn23)C1)c1ccccn1 |
Cc1nc2ccccn2c1C(=O)N1CCC(N(C)C(=O)c2ccc(CO)cn2)C1 | CP000356293159 | -30.83 | O=C(NC1CCN(C(=O)c2cnc3ccccn23)C1)c1ccccn1 |
O=C(NC1CCN(C(=O)c2cnc3c(Cl)cccn23)C1)c1ccc(CO)cn1 | CP001243126217 | -30.23 | O=C(NC1CCN(C(=O)c2cnc3ccccn23)C1)c1ccccn1 |
Nc1ccc(C(=O)NC2CCN(C(=O)c3c(Cl)nc4ccccn34)C2)nc1 | CP002311654546 | -28.65 | O=C(NC1CCN(C(=O)c2cnc3ccccn23)C1)c1ccccn1 |
Cc1ccc(C)c(C(=O)NC2(C)CCN(C(=O)c3c(C)nc4ccccn34)C2)n1 | CP000088692350 | -27.61 | O=C(NC1CCN(C(=O)c2cnc3ccccn23)C1)c1ccccn1 |
Cc1nc2ccccn2c1C(=O)N1CCC(NC(=O)c2ncccc2Cl)C1 | CP002313499783 | -27.39 | O=C(NC1CCN(C(=O)c2cnc3ccccn23)C1)c1ccccn1 |
COc1ccn2c(C(=O)N3CCC(NC(=O)c4ncccc4OC)C3)cnc2c1 | CP000365472414 | -25.58 | O=C(NC1CCN(C(=O)c2cnc3ccccn23)C1)c1ccccn1 |
CC(C)Cn1cc(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)nn1 | CP001417486015 | -23.93 | O=C(CN1C(=O)NC(=O)C1=O)NCc1c[nH]nn1 |
CCCc1nsc(N2CCC(CF)(NC(=O)c3cn4cnnc4cn3)C2)n1 | CP001402867637 | -25.36 | O=C(NC1CCN(c2ncns2)C1)c1cn2cnnc2cn1 |
CN(CCNC(=O)c1ccn2ccnc2c1)C(=O)CCc1ncccn1 | CP002891113641 | -24.57 | O=C(CCc1ncccn1)NCCNC(=O)c1ccn2ccnc2c1 |
Cc1nn(C)c(Cl)c1CN1CC2(CCC(O)CC2)C1 | CP002860165694 | -42.43 | c1n[nH]cc1CN1CC2(CCCCC2)C1 |
COC1(CC(=O)N2CCN(CCCc3nc(-c4ccc(C)cc4)no3)CC2)CC1 | CP000027173312 | -34.37 | O=C(CC1CC1)N1CCN(CCCc2nc(-c3ccccc3)no2)CC1 |
CCC1CC1C(=O)N1CCC2(CCCC2NC(=O)c2cccc(OC)n2)CC1 | CP000813334491 | -27.98 | O=C(NC1CCCC12CCN(C(=O)C1CC1)CC2)c1ccccn1 |
CCC1CC1C(=O)N1CCC2(CCCC2NC(=O)c2ccc(C)c(C)n2)CC1 | CP000813364395 | -27.2 | O=C(NC1CCCC12CCN(C(=O)C1CC1)CC2)c1ccccn1 |
Cc1cc(Cl)nc(C(=O)NC2CCCC23CCN(C(=O)C2CC2)CC3)c1 | CP002638789674 | -25.78 | O=C(NC1CCCC12CCN(C(=O)C1CC1)CC2)c1ccccn1 |
CC[C@@H]1C[C@H]1C(=O)N1CCC2(CCCC2NC(=O)c2ccccn2)CC1 | CP002638701489 | -22.53 | O=C(NC1CCCC12CCN(C(=O)C1CC1)CC2)c1ccccn1 |
C[C@@H](CNC(=O)c1cc(C2(C)CC2)n[nH]1)NC(=O)c1csnc1Cl | CP003394232811 | -22.57 | O=C(NCCNC(=O)c1cc(C2CC2)n[nH]1)c1cnsc1 |
COC(=O)Cc1nnc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)[nH]1 | CP000874889707 | -23.73 | O=C(Nc1nnc[nH]1)c1cnc2[nH]ncc2c1 |
O=C(NCC1(CO)CC2(CCC2)C1)Nc1nccc2[nH]c(=O)[nH]c12 | CP001329560156 | -24.88 | O=C(NCC1CC2(CCC2)C1)Nc1nccc2[nH]c(=O)[nH]c12 |
COc1cc(C=CC(=O)OCc2cc(=O)n3ccccc3n2)ccc1OC(C)C | CP000004038780 | -27.89 | O=C(C=Cc1ccccc1)OCc1cc(=O)n2ccccc2n1 |
N#Cc1cnc(N2CC3C(CNC(=O)C4=CCS(=O)(=O)C4)C3C2)c(F)c1 | CP001921239310 | -24.51 | O=C(NCC1C2CN(c3ccccn3)CC12)C1=CCS(=O)(=O)C1 |
Cc1n[nH]c(C(=O)N2CCN(C(=O)C3CC4CCC(C4)C3)CC(O)C2)c1N | CP002032150158 | -18.6 | O=C(c1ccn[nH]1)N1CCCN(C(=O)C2CC3CCC(C3)C2)CC1 |
CN1CCN(C(=O)CNC(=O)CCC2CCCC2)C2(CCCCC2)C1 | CP001153639770 | -31.9 | O=C(CCC1CCCC1)NCC(=O)N1CCNCC12CCCCC2 |
Cn1nc(C(=O)NC2CCN(C(=O)C3CCCOC3)CC2)nc1O | CP003151917160 | -27.91 | O=C(NC1CCN(C(=O)C2CCCOC2)CC1)c1nc[nH]n1 |
COC1(C(=O)N2CCC(N(CCO)C(=O)c3ncn(C)n3)CC2)CCCOC1 | CP000562222038 | -23.49 | O=C(NC1CCN(C(=O)C2CCCOC2)CC1)c1nc[nH]n1 |
O=C(NCC1CCN1C(=O)C1CCCc2ccnn21)c1ccc2cnsc2c1 | CP001254399107 | -27.66 | O=C(NCC1CCN1C(=O)C1CCCc2ccnn21)c1ccc2cnsc2c1 |
Cc1ccc(CN2CCOC(CNCC(O)C3CCCO3)C2)cc1 | CP002375498554 | -53.58 | c1ccc(CN2CCOC(CNCCC3CCCO3)C2)cc1 |
C=C1CCC(C(=O)NC2CCN(C(=O)C3CCC4(CC3)N=N4)CC2C)CC1 | CP001880270229 | -20.97 | C=C1CCC(C(=O)NC2CCN(C(=O)C3CCC4(CC3)N=N4)CC2)CC1 |
CC1(C)CN(C(=O)C2C3CCCC32)CC(CNC(=O)CC2CCCC(=O)N2)O1 | CP000749419600 | -18.45 | O=C(CC1CCCC(=O)N1)NCC1CN(C(=O)C2C3CCCC32)CCO1 |
CC1OCCCC1C(=O)NC1CC2(CN(C(=O)Cc3ccco3)C2)n2ccnc21 | CP000042304650 | -21.3 | O=C(NC1CC2(CN(C(=O)Cc3ccco3)C2)n2ccnc21)C1CCCOC1 |
Cn1cccc1C=CC(=O)N1CC(CO)(NC(=O)C2CSCCS2)C1 | CP003112812301 | -23.07 | O=C(NC1CN(C(=O)C=Cc2ccc[nH]2)C1)C1CSCCS1 |
CCn1ncnc1C(=O)N[C@H]1C[C@H](CNC(=O)C2(OC)CC2)C1 | CP003496973942 | -23.87 | O=C(N[C@H]1C[C@H](CNC(=O)C2CC2)C1)c1ncn[nH]1 |
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