smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
|
|---|---|---|
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=N[NH]2)C(C)C
|
B6675DD759E615BD_7AF5BB46D454902A_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C)C(=C2)C(F)(F)F
|
070DFD0717A6A5E3_0B0F3F384CDB9961_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](CCC)C=C2
|
0D2F724F5D66F333_644914C830B3D8D2_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=N[N]2C)Cl
|
371F3918EC3848EC_C4F71F56D574C187_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=N[N]2C)Br
|
357339732C4B1764_78E30ADC435F02C4_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=N[N]2C3CCCC3
|
BB229D822CF6D51F_4E9FFFDECBB931CD_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=COC=N2
|
467AFBDF5F78DCB1_6A28A85CF7D204C2_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=C(C(=C2)F)[N](=O)=O)Br
|
C08A11D9955C52B8_E59B7282D3EFE323_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=N[N]2CCF
|
8A5466A96AE6386E_9061E694B69259FC_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOCCNCCN
|
C296F2AB529AF331_18BA26B8EB58F7F5_6031_DP
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CSC)(C)C
|
DB00824B481EE0F0_D9E59E3A4192F989_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(N)C(F)F
|
F60E5660EBD09B0F_22CA768055862B72_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2C=NC=CC2=O
|
7738980C21EEFB42_2627A81588DDEE7F_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C=CC(=N2)C(F)(F)F
|
D524165B5E5C8AEB_B95C867AD0C4BD29_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C(C(C)(C)C)[NH]2
|
C5E20058ABBDE087_65244F241E724850_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(N=C(C(C)C)C=C2)C
|
AA7E020F5C9E72CD_33341EA63AE0363A_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC#CC2=C(OC)C=CC(=C2)Cl
|
DEF01E7A82F880C7_9CCD0222E35B8C9B_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(SN=C2C)C
|
4CC9BBE583F4F7F7_328309244D757124_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(C2=CC=CC=C2)C(F)(F)F
|
F3B54873A11CEC1E_C2AE85589955E6F0_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC#CC2=NC=CC=C2
|
FF848857A93FFFE3_2A3B95FB3E07BFE5_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C)C=C2Cl
|
DB29AD438A7AE767_A65825176E418566_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCN2CCCC2CN
|
CB3CB74246170B77_04BF3A0148A7DF92_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC3=C([N]2CC)C=CC(=C3)OC
|
7F2F37C2E7896865_FE1481A9ABD0F435_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCCC(N)C2
|
838FEF0207C4712E_B7916624E0E63972_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=C2C=CC=C[N]2N=C3
|
5B998BA40A1676F5_CA439573DC45F31C_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C([N](N=C2C)C)C
|
B5367D68F7015997_68CEF3C6D29B4FC1_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC2)C3=CC=CS3
|
2A442B7CE87FE081_C928DCA7C66A9D7F_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=CC=CC(=C2)N
|
78C514526836C058_027DF25C2625195E_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC(=NC=C2)N
|
B1586866D53B3836_2E02ED191BF77250_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCCC(C)N
|
1B3A53577EB3D1E6_F14845A26147F029_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CC2CCCCC2O3
|
13DE9572B80C8FC6_06E1424DECC506EC_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCN2CCCC(N)C2
|
63A5418E6CF8448B_14EFFC78A963233D_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](CC)C=C2
|
E57E77502FB09AB7_00AB528CE44BFF8E_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=C2)C3=CC=CS3
|
2E5179642C5CF623_CC187BBFA44C004F_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CN(C(C)C)C(C2)=O
|
766B999A12EA5E53_E77C8D8D6ECCE4B9_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](CC(C)C)C=C2
|
04B208352FDEC2EF_23E36BD7959274B2_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NO2)C3CC3
|
E8F1997A426E0B6F_2E0B58F5FD7349CF_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[NH]C(=C2)C3CC3
|
45F77274DF22D7CB_5702321D3CEFB68A_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C(C)C)C=C2
|
9FF8090672A36897_E661E3ED28B6B946_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=C2)C3CC3
|
EDA1949EFE1F40C9_C9DB85EBD97A5DF5_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](CC)C=C2Br
|
5A1934D1E197590C_AA1778C0358489A0_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C=C2)CCF
|
E8BA3F84EC72306F_7DAE00446C3B4B75_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=C2)C3=CC=C(C=C3)Cl
|
AB1F6A54E6FF4D69_F4DF34B5C7DC724E_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3(C(N)C2CC2)CCCO3
|
71794DD39CE8BA08_F8D15E8B42BBAC37_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(F)CNCC2C3=CC=CC=C3
|
DEF6FBBEB38FEE4D_1F5EADE2EC80B2D6_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=N[N]2C(C)C)N
|
F8EB64BA90C41DBE_9F4DEAF01A77802C_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3(C(N)C2CC2)CCOCC3
|
7BF55AD7ADC269CB_D884B3091DC07728_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C=CC(=N2)[N](=O)=O
|
CB87258686E2B9DA_19CBF5F75169499F_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=O)C(=CN2)OCC3=CC=CC=C3
|
42F44E202951813C_250E2574ED936544_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCON
|
212B3633E898A339_780100A0453387B4_6031_UN
| 18 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=CN=C2)C3=CSC=C3
|
EB9CD8F3F68B58D4_8D3805139DFE0373_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC(=NO2)Br
|
1E79AD0EA6FFAD3D_1996F8FBE05E3DF6_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=C(C=C2)C#N)Br
|
4D099C036B2B39C7_9FD1A78E145BDE7F_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=C2)C3=CC=CO3
|
274A158BEF038F7D_BF397AC7F0E1259F_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCNC2CC
|
6AC4308CC4AC593E_85FC6966AB649019_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC3=NC2=C(C=CC=C2)[NH]3
|
70C80F047AAF9FB4_05BD0B31353E52AA_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCNCC2(F)F
|
F960F8E9892039B4_2D1D93ED7E3B03F2_6031_DP
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(C)C=C2)[N](=O)=O
|
BD2F4A323DC715BC_6084B42A9B00D5E2_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=C2)C
|
451B0B173EB05BFC_BC3397878B530A7A_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](N=N2)C3CCNC3
|
8BCE62431FDE5FE3_F70F4DAA51218927_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C=C2)CC(F)(F)F
|
A6946764475AEAAD_BC6A488EA92A6E54_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C=C2)CC(F)F
|
688BCE4C6EAE8B9D_C2347D9E54B1961E_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCOC2
|
E5B82C7A65087E12_EEED1F9862160191_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2C[C@H](CN2)O[Si](C)(C)C(C)(C)C
|
8047B03CF379381E_6DCAABFF6B865CCA_6031_DP
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(OC)C2CCOCC2
|
82DDDC01819611FF_3F3FFA72F09F19F6_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CSC3=C2C=CC=C3
|
EE50FA5E48C4A07E_14EEE8ED276C7C8B_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C=CC=C2Cl)Cl
|
10BD2CB60F4006CB_20F0B6FF687A056E_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)NC
|
AEE5BDDF5496BCE7_54087CFEC9E90200_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3(C)CC2=C(C=CC=C2)N3CC4=CC=CC=C4
|
A75FE5DD0C80338C_B05674CDF355CCC0_6031_UN
| 31 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC(F)(F)C2
|
FE0CD089036C5130_B2D51703D3831F78_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCC2(F)F
|
8F930CF4D589E925_34FA10A4C8D0DE6E_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2C(CCNC2)=O
|
B06CEDF82F393E43_17BDD2AF48B26FD8_6031_DP
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C(C)C)CCCNC2
|
791274F4CECC801F_FE8533B3198E7962_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C=C(Cl)C(=N2)[N](=O)=O
|
CBBB4A79A06D6876_C2A22F7C9450583E_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](N=C2)CC(F)(F)F
|
7C5E48639AA5834C_EEDB7510142C2ECB_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[NH]N=C2
|
8B124B7D55E61E87_5F76C3FB8BBC547F_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC2(F)F
|
0BC21218B97E303C_8366C467F829A9FB_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OC[CH]3C[C]2(C[CH2]C2)C3
|
8A343DFB9DDB4A87_B263B789E92ABCFC_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNCC2=C(C=CC(=C2)Br)F
|
DF9B41E23C7CA75A_80463731B12423BB_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C=C2)C#CI
|
E1DBF3BF07D9BFC1_D4E6085DFBF51997_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)ON
|
B6A58979FFB3C932_A25CA12B478A464A_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCCCC2)NCC3=CC=CC=C3
|
09E873DCBBCEC6C9_8BBA198CD1872AF0_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNCC2=CN=CC=C2
|
54631A092DC63749_864FE388579D0F09_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)NCC(F)(F)F
|
29605B73CECC98C5_998FDE98CAC1519E_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)C=C
|
996F59C03A303F54_AE84EBB5B3137048_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(SC)C
|
C0DB88FE0CAB1418_4A72BC063215CF87_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CSC)C
|
075C98A35E794562_C8D926559466D410_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCC2
|
F13E4030D1110370_0935EEFC88AA45A3_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOCCC
|
90186989EB54BC85_291495ABFAE356B5_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[Si](C)(C)C
|
A4314E503E97A80B_20B862F0CE2EF6EE_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(NC)C2=CC=CC=C2
|
EEEC429EABC20F3B_433D2EDF5DB8C96D_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC2=NC=CC=N2
|
41960A03AA282879_479EAE2F824D1DC0_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(SC)C
|
BE7255BB3E8D0497_A6E3FEC6E18DDFC7_6031_UN
| 18 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCN2C(C3=C(N)C=CC=C3)=O
|
4FBBC1C39C7CAB20_EF3CF449A092C963_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(NC)C2=C(C=CC(=C2)OC)Br
|
45BC20DF7889849C_38C493F33E57CD51_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(NC(C)C)CCNCC2
|
C1BA0208E3BE8EC2_D0494A4E60CC9D61_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C([N]2CCOC)CCC3=CC=CC=C3
|
641D8034635BDCF6_4DB090E6E4E2553A_6031_UN
| 31 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=C[N](CCC2=NC=CC=C2)N=N3
|
E9DE8B5A1AC7A81B_FDE5FB573C584738_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(C=C2)OC(F)F)Br
|
227CECE18AAC05A7_D6E847B45C0351F3_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCCC2)NCC3=CC=CC=C3
|
914E8D1511478C2F_E434C2CB244AC0A2_6031_UN
| 27 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.