SMILES stringlengths 4 93 | ZINC_ID stringlengths 16 16 |
---|---|
CN(C)Cc1ccnc(NC(=O)NCCO)c1 | ZINCh8000000ai2V |
CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2CCC[C@@H]21 | ZINCh8000000ai3E |
CN(C)S(=O)(=O)Cc1noc(C(C)(C)C#N)n1 | ZINCh8000000ai5s |
CN(C)[C@](C)(CC(=O)N1CCC(=O)N1)C(F)F | ZINCh8000000aie9 |
CN(C)c1ccnc(N2CCO[C@H](C#N)C2)n1 | ZINCh8000000aiiM |
CN(C)c1cncc(C(=O)N[C@H]2CCNC2)c1 | ZINCh8000000aijz |
CN(C1(CO)CC1)S(=O)(=O)c1ncn(C)c1Cl | ZINCh8000000ain8 |
CN(C1CC1)S(=O)(=O)N1CCC[C@@]1(C)C(=O)O | ZINCh8000000ainL |
CN(C1CC1)S(=O)(=O)N1CCC[C@H]1CC(=O)O | ZINCh8000000ainM |
CN(C1CCC1)S(=O)(=O)NCCc1cc[nH]n1 | ZINCh8000000aioW |
CN(CC(=O)N1CC2CCC1CC2)S(C)(=O)=O | ZINCh8000000airL |
CN(CC(=O)NC1CC1)[C@@H]1CC(C)(C)OC1=O | ZINCh8000000aiu6 |
CN(CC(=O)NCC(F)(F)F)C[C@H]1CCNC1 | ZINCh8000000aiup |
CN(CC(=O)NCC1(F)CCCC1)S(C)(=O)=O | ZINCh8000000aiut |
CN(CC(=O)NCCn1ncc(Br)n1)C1CC1 | ZINCh8000000aiuZ |
CN(CC(C)(C)CN)C(=O)C(=O)NCC=CCl | ZINCh8000000aiy7 |
CN(CC(C)(C)CO)C(=O)N=c1ncn(C)[nH]1 | ZINCh8000000aiyG |
CN(CC(F)(F)CO)C(=O)C1=C(F)CNCC1 | ZINCh8000000aiAK |
CN(CC(N)=O)C(=O)[C@H](O)c1ccccc1I | ZINCh8000000aiDn |
CN(CC(N)=O)C(=O)c1conc1C(F)(F)F | ZINCh8000000aiDS |
CN(CC(N)=O)C[C@H]1COc2ccccc2O1 | ZINCh8000000aiE4 |
CN(CC1(O)CCCC1)C(=O)NCCCON | ZINCh8000000aiGd |
CN(CCC(=O)O)S(=O)(=O)CC[C@@H]1CCCO1 | ZINCh8000000aiMZ |
CN(CCC(N)=O)C(=O)CC[C@@H]1CCCCN1 | ZINCh8000000aiNA |
CN(CCCCS(N)(=O)=O)[C@H]1CCC[C@@H](N)C1 | ZINCh8000000aiSt |
CN(CCCS(C)(=O)=O)c1nccc(C#N)n1 | ZINCh8000000aiWg |
CN(CCN)C(=O)CCNC(=O)c1ccsc1 | ZINCh8000000aiY1 |
CN(CCN1C(=O)CNC1=O)CC1CC(F)C1 | ZINCh8000000aiZy |
CN(CCNC(=O)[C@]1(F)CCCNC1)C1CC1 | ZINCh8000000aj3b |
CN(CCO)C(=O)C(=O)Nc1cccnc1Br | ZINCh8000000aj4C |
CN(CCO)C(=O)N[C@H]1C[C@H]2CCCCN2C1 | ZINCh8000000aj5u |
CN(CCO)C(=O)Nc1ccc([S@](C)=O)cn1 | ZINCh8000000aj5x |
CN(CCO)C(=O)[C@H]1CCCc2c1ncn2C | ZINCh8000000aj5I |
CN(CC[C@@H]1CCCC(=O)O1)[C@@H]1CCNC1=O | ZINCh8000000ajcy |
CN(CCc1cnc[nH]1)C(=O)c1ns[nH]c1=O | ZINCh8000000ajef |
CN(CCc1cnccn1)C(=O)[C@@H](O)C1CC1 | ZINCh8000000ajel |
CN(CCc1ncccn1)C(=O)C1=NOCC1 | ZINCh8000000ajeQ |
CN(CCn1ccnc1)C(=O)c1c[nH]c(=N)o1 | ZINCh8000000ajgY |
CN(C[C@@H](O)C1CC1)S(=O)(=O)Cc1ccon1 | ZINCh8000000ajit |
CN(C[C@@H]1CCC(=O)N1)C(=O)[C@H]1CCCCO1 | ZINCh8000000ajkY |
CN(C[C@@H]1COCCN1)C(=O)[C@H]1CSCCS1 | ZINCh8000000ajoC |
CN(C[C@@]1(C)CCCO1)C(=O)[C@H]1CCS1(=O)=O | ZINCh8000000ajqa |
CN(C[C@H](O)[C@@H]1CCOC1)C1CCS(=O)CC1 | ZINCh8000000aju6 |
CN(C[C@H](O)c1ccccn1)[C@H]1[C@@H]2CNC[C@@H]21 | ZINCh8000000ajuj |
CN(C[C@H]1CCCO1)C(=O)CC(=O)NC1CC1 | ZINCh8000000ajvt |
CN(Cc1ccccn1)C(=O)[C@H]1CCS1(=O)=O | ZINCh8000000ajBq |
CN(Cc1cn(C)nn1)C(=O)[C@H]1CCCOC1 | ZINCh8000000ajEo |
CN(Cc1cnc[nH]1)C(=O)Nc1cn(C)nn1 | ZINCh8000000ajFj |
CN(Cc1cnn(C)c1)C[C@H](O)[C@@H]1CCOC1 | ZINCh8000000ajGX |
CN(Cc1nc(C2CC2)no1)[C@@H]1CCNC1=O | ZINCh8000000ajI1 |
CN(Cc1nc[nH]n1)C(=O)Cn1cc(I)cn1 | ZINCh8000000ajIR |
CN(Cc1nc[nH]n1)C(=O)[C@H]1CCC[C@@H](N)C1 | ZINCh8000000ajJd |
CN(Cc1nc[nH]n1)S(=O)(=O)N(C)C(C)(C)C | ZINCh8000000ajJs |
CN(NC(=O)c1ccnc2c1CCC2)C(N)=O | ZINCh8000000ajQa |
CN(O)C(=O)CNC[C@H](O)c1cccc(F)c1 | ZINCh8000000ajRA |
CN([C@]1(C)CCOC1)S(=O)(=O)c1cnn(C)c1 | ZINCh8000000ajTF |
CN(c1nccn(C)c1=O)[C@@H](CCO)C(F)F | ZINCh8000000ajUJ |
CN1C(=O)CCC[C@@H]1C(=O)OCCC[N+](=O)[O-] | ZINCh8000000ajVA |
CN1C(=O)CN=C1NC(=O)[C@H]1C(C)(C)C1(F)F | ZINCh8000000ak0n |
CN1C(=O)CN=C1NC(=O)[C@H]1C[C@@]1(C)C(F)F | ZINCh8000000ak0o |
CN1C(=O)C[C@@H](NC(=O)c2c[nH]cc2Br)C1=O | ZINCh8000000ak1a |
CN1C(=O)NCC12CN(Cc1ccn(C)c1)C2 | ZINCh8000000ak2g |
CN1C(N[C@H]2C[C@H](S(C)(=O)=O)C2)=NCC1(C)C | ZINCh8000000ak5v |
CN1CC(=O)N[C@@H]1c1ncc(C2OCCO2)s1 | ZINCh8000000ak66 |
CN1CCCCN=C1N1C[C@@H]2OC(=O)O[C@@H]2C1 | ZINCh8000000akdi |
CN1CCCC[C@H]1CNC(=O)[C@]1(F)CCNC1 | ZINCh8000000akfF |
CN1CCCN(C[C@@H](O)CC2(O)CCC2)CC1 | ZINCh8000000akh7 |
CN1CCC[C@@H](CNS(=O)(=O)N2CCCC2)C1 | ZINCh8000000akji |
CN1CCC[C@@H](NC(=O)N2CCC[C@H]2CN)C1 | ZINCh8000000akk3 |
CN1CCC[C@H](NC(=O)CCCCCO)C1=O | ZINCh8000000akpx |
CN1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H](N)[C@H]2C1 | ZINCh8000000akqZ |
CN1CCN(C(=O)C2(C)CC(C#N)C2)CC1=O | ZINCh8000000aktt |
CN1CCN(C(=O)[C@H](N)CC(C)(F)F)[C@H]2C[C@@H]21 | ZINCh8000000akAy |
CN1CCN(C(=O)c2cnc3n2CCC3)CC1 | ZINCh8000000akC9 |
CN1CCN(C(=O)c2coc(CN)c2)[C@@H]2C[C@@H]21 | ZINCh8000000akCf |
CN1CCN(C)C1=NCC[C@](C)(O)C(F)(F)F | ZINCh8000000akCy |
CN1CCN(C)CC(N=c2cnc(F)c[nH]2)C1 | ZINCh8000000akCT |
CN1CCN(CCNC(=O)C2(F)CCC2)CC1 | ZINCh8000000akEU |
CN1CCN(Cc2nc(C(=O)O)co2)[C@@H]2C[C@@H]21 | ZINCh8000000akHf |
CN1CCN(c2ncnc3[nH]ccc23)CC1=O | ZINCh8000000akJ4 |
CN1CCNC[C@H]1C(=O)N1CCC[C@@](C)(F)C1 | ZINCh8000000akKB |
CN1CCO[C@@H](CNCc2ccc(O)nc2)C1 | ZINCh8000000akOd |
CN1CCO[C@H](CNCc2ncccc2O)C1 | ZINCh8000000akPk |
CN1CC[C@@H](CC(=O)N2CSC[C@H]2C#N)C1=O | ZINCh8000000akQZ |
CN1CC[C@@H](Cn2ccnc2CCCO)C1=O | ZINCh8000000akSF |
CN1CC[C@@H]1CNC(=O)N1CC2(CCCO2)C1 | ZINCh8000000akVF |
CN1CC[C@H](CC(=O)NCC2(C#N)CC2)C1=O | ZINCh8000000al0R |
CN1CC[C@H](CC(=O)Nc2nccn2C)C1=O | ZINCh8000000al1k |
CN1CC[C@](O)(CNC(=O)C#CC(C)(C)C)C1 | ZINCh8000000al8G |
CN1C[C@@H](CN(C)C2CCS(=O)CC2)OC1=O | ZINCh8000000aldv |
CN1C[C@@H](O)C[C@H]1CNC(=O)C1CC(F)(F)C1 | ZINCh8000000alhI |
CN1C[C@@H](c2nc(C[S@](C)=O)no2)CCC1=O | ZINCh8000000alix |
CN1C[C@H](O)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 | ZINCh8000000alq6 |
CN1[C@@H](CNC(=O)C2=CCCC2)CCS1(=O)=O | ZINCh8000000alt6 |
CN1[C@H](CNC(=O)OC2CCC2)CCS1(=O)=O | ZINCh8000000altu |
CN=c1[nH]c(C(=O)NCc2cn(C)nn2)cs1 | ZINCh8000000alv6 |
CN=c1cc[nH]c(C(=O)N[C@H]2COC[C@@H]2C)n1 | ZINCh8000000alxp |
CNC(=O)C(=O)N1CCC(OC2CCC2)CC1 | ZINCh8000000alyQ |
CNC(=O)C(C)(C)CNC(=O)CSCCOC | ZINCh8000000alAr |
CNC(=O)C(C)(C)CNC(=O)C[C@H](O)C(C)C | ZINCh8000000alAv |