smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
|
|---|---|---|
CC(C)N1N=C(CCC1=O)C(=O)OCC2NC(OC2)(C)C
|
DC344D062A7B8B10_623B7C79CE0D4F72_6031_DP
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C([NH]N=C2C)C
|
3E9A2CE5CA9F2AA0_8D40C00551DFE021_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC
|
B921226FA8E2B168_D1DE8DD3461345E9_6031_DP
| 17 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]3N=C(C2=CC=C(OC)C=C2)C=C3N
|
65BDE97896FE5A14_4B170571F055D2FB_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2CNCC2
|
01FA57F4C427B953_CAFFC203AA47B213_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CNCC2
|
E64736606BAE3B88_51EEEE18F777FCB8_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C([N]2C)Cl
|
982131553EDAAED0_2543943D0272EF16_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCCCCC2=O
|
EDF23097B4824E1F_5112606607C6A47A_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CCN(C(C2=CC(N(C)C=C2)=O)=O)CC3
|
DDEAB0132EC97D68_90CA43C13842AFC3_6031_UN
| 30 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN3CCN(C(C2=NN(C)C(C=C2)=O)=O)CC3
|
DFA5581C62242014_0EFA765621051C27_6031_UN
| 31 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2COC(C)(C)O2
|
BFFD9BF1BCF4F3A9_8BF8F64F6FB05B65_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCN2CCCCC2C
|
651DF6CF384455A2_18ACCCF678514443_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CCN(C(C2=CC=C(N)C=C2)=O)CC3
|
B8F5EEC1FE0C50B9_403492FD15683A7F_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CCN(C(C2=CC=CC(=C2)N)=O)CC3
|
055965FBF28A43E6_839EDF469E7A0993_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=C[N]2C=C(Cl)C=C(Cl)C2=N3
|
3269986490DC3626_7858572333C8A4D2_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCN3C(=O)NC2=C(C=CC=C2)C3=O
|
069D1B7B3F3456C7_1E560CAF9F78A7F2_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCCN2C(C3=CC=C[N]3C)=O
|
0BBB932E180B4CC5_2F7D13DE9020EBA0_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(NCC)(C)C
|
3A82825037C80EEC_E504C352827468E1_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(NC(C)C)(C)C
|
3507A3BD0ECA11FA_C5D013B65C4EF85E_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)N=C(S2)C3=CC=CC=C3
|
255A2F81F44D3765_DBC9AB9961957674_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CCN(CC2=CC=CC(=C2)N)CC3
|
4CC65189E101BEE2_F4364D600D3924E2_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=N2)C3=CC=C(C=C3)F
|
A4998229AB70AD3C_34202A6359103D25_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=C(OCCOC)C=C2OCOC2=C3
|
5FB25AEBB113BE4A_52801236AA8F4125_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=CC=C(CN)C=C2
|
D163ABF513C78CDA_78EC8CFE549DA099_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CSC(=N2)C3=NC=CC=C3
|
E348B60845CE7B36_1133D500D457D455_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC3=C(C=C2)[NH]N=N3
|
FAABB1A55EEC62DE_D22DA5FF039890C4_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C[NH]2
|
A85BFBE6F2FB37E7_9F1E52BD471FC995_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C[N]2CC(F)(F)F
|
1FF8F758FB5D579F_A9F7E43A268C3301_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)N=C3SC=C[N]23
|
080C4FAF51DCBEB0_F4E5623B3ECF8309_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCSCC2=C(C=C(C=C2)Br)F
|
A4B832D4A691D001_4FB81F2846441071_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC(=C2)C(OC)=O
|
8D4E155A013AEDCC_D6AB359FB363310B_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=C(C=C2N)C3=CC=C(C=C3)I
|
FC8A5A3BA2E09536_D26F2D2C2FE09F58_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCOC(C)C
|
FC5D41D06ACB6210_0DB907509D957C5F_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2=C[N](C)N=C2
|
C24642D58B05C035_4466E12101671CE6_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCCN2CCCC2
|
86F79B86BB7B56ED_75BC7741D551A9C0_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=C(N)C=C2
|
AFE59C9A43EE1861_496F283C020BD8F0_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(OCC)C(=C2)C)C
|
BE876296A3C33CFE_74D4CD50CAAC0094_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=N[N]2C3=CC=CC=C3
|
C6FFDAA417B1D548_81F3E100F37A5559_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(N(C)C)C=C2)F
|
DB6C95EA50AA0D2E_5BBC8CD3C86ADEEA_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCNCC(F)(F)F
|
E0B49EF938D14BED_969BDE4033A0B4E5_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOCC[N]2C=CC=N2
|
9C93DECCFD4BCDDC_A1673CD1170DB3AB_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC(=C2)CN
|
0E499C1A066905B4_14977D83E69C365B_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(C=C2)Cl)N
|
AA240C5C5CCEF900_F8C2FD83918734A2_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=NC2=C(N=CC=C2)[NH]3
|
1CA24E6EA9997832_BA4D26680AC23099_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=NC(=CN=C2)Cl
|
FF8FF33218A030DC_B21D879B773BAEF1_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC[N]2C(=CC=C2C)C
|
A657B636AB7796BA_0DE6817CF7A52AA6_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)N=CS2
|
C2F8217BBA66E7E5_2A8B756C41C8440D_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCCN2CCN(CC)CC2
|
91FAAEC7FDADB0B9_EF8AA418D1DD5BEC_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CNC(=NO2)C3=CC=CC=C3
|
1C34B993802E752C_0B3458A84521D9C4_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2CCCN2
|
1C6D5091E92C8B2B_5F18C1F6DDA70A48_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)NC2=CC=CC=C2
|
E4B28B5003C02751_9002BD0C75459A5A_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCOC3=C2C=CC=CC2=CC=C3
|
71E979C6979DA656_A1BE7723713D85B3_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=C(C)C=CC=C2C
|
E9055AE7E0D262FD_01437173FE885426_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCN2CCOCC2
|
BA41050F417BD1A9_F577D58B3AC54261_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC2=CC=NC=C2
|
C2D904C7CCC487DC_5BBC344E868B335E_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC(=NO2)C
|
57F657ECECA5B2E0_667B7E7499CD98FE_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC3=C2C=CC=CC2=NC=C3C#N
|
F177550DADD30F1B_E20354CF939E2D91_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCN(C)C2=CC=CC=C2
|
03240BCDA09D9EDE_C4805C956D453FC9_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(N(C)C)C=CC=C2Cl
|
931D195623CB93A8_A77289D63D6E043F_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCN(CC2)C3=C(C=CC=N3)[N](=O)=O
|
A39480CFDEAB4DC5_29F77E7907C19E61_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCNCC4=CC2=C([N](CC)C3=C2C=CC=C3)C=C4
|
6955D9383C029895_42B2BB210D5B79B7_6031_UN
| 33 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C(C)O2
|
D155140E0B36793E_007C741D0D1E8472_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCN(CC2)C3=NC=C(C=C3)[N](=O)=O
|
976BF80651ED5312_23B7CEA644DA5B6C_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=N2)C3=CC=CC=C3
|
A82A39D7CAC03B1B_13EFBAC2D3E9933D_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3
|
36C45FF7B0E635AC_8112FFCD8ABF0890_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCNC2
|
2AB5E62C924F3962_59875E593FB4328D_6031_DP
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C[N](N=N2)C3=NC=C(C=C3)C(F)(F)F
|
679F28766442294E_AF9E5E6D9822B3FB_6031_UN
| 30 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=CC3=C2N=CN=C3Cl
|
FA465A11084587C3_5BF42BFACE33E71A_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CCN(CC2=CC=C(N)C=C2)CC3
|
020AEB678B45AF78_7EF0FB69A9156737_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)N3CCCC3
|
5070DF7BCC03632D_A1506F11C5D9A1AC_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCSCCN
|
79D89B951288B40D_84B280F8F6A9A10B_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCNCC2)NC3=CC=CC=C3
|
36130198A297D377_803E66FEA04E57A8_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2C(=O)OC3=C2C=CC=C3
|
BEE462FA90936B0B_64371A8D031FB474_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNCC(C)(C)C
|
65EECBB4518601AB_770D4C771E59A090_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)(N)C2=CC=CC=C2
|
9EFBB75965F35113_90CC12FE72B52707_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCC(CN)CC2
|
05E6A387058A8844_C930AE98D73BD57A_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCSC2=CC=C(N)C=C2
|
8F55CF9A1AA833AA_6B09E6522B445A02_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN(C)C2CCNCC2
|
7DF2CAE91F07FDCA_2F7401181842F1C1_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCC(C)CC2
|
DD60C68E0CA1AEBB_3B1677E087E88D68_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(NC)CCCCC2
|
A2D74BD42404C726_74444125389A43F9_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN3CCN(C2=C(N)C=C(C=C2)Cl)CC3
|
7FDC3DAAC314651A_682325067212F119_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C(=C(C(OCC)=O)C=N2)N
|
9536FAE420834747_CC3EA4662ACFED01_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2CCCNC2
|
593B1FBFC6D725BD_8A16F2A1F0FFE944_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CSC(=N2)CC
|
21DDE2E744BD64B3_D517D509125636C1_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C2=CC=CC(=C2)C)N3CCNCC3
|
77526962FB3A843D_AC35B99E48BE9C36_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C[N](CC(OCC)OCC)N=N2
|
7B6222C9252D98DC_31E893B49099687B_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=N2)C3=CC=C(OC)C=C3
|
D1CE1A788BF1FA41_EEF56194E0A4B721_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC(=N2)N(C)C
|
B81465ECC16D82A3_E7FD78544F435A20_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN3N=C2C=CC=CN2C3=O
|
31287B5D8B592D80_A71796A55DA0B048_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC(=NO2)C3=CC=CO3
|
D8C4999E0ECE9277_B965D61340BEB868_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](N=C2)CC3=CC=C(C=C3)Br
|
400D1E118ECAD0B8_E64F460D2744997E_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCN2CCCCN
|
96F0CD9DFC5FE6EF_9A7443B45F678247_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOCC2=C(C=C(CN)C=C2)F
|
51B8C6514499430A_8A3D97580AC0DCD4_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(N2CCNCC2)C3=CC=C(C=C3)Cl
|
7C2CAE6B0DADE67E_A593B0F1F0E8097B_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC[N]2N=NC(=N2)C3=CC=CC=C3
|
2CB73D605E4D4EC2_4682812D79E882B0_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOCCNCCN(C)C
|
2D6D98FE696148FE_B4FD91C1AE65E8E5_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN[C@H](C)C2=CC=CC=C2
|
50A8D43E9BFCEF99_65406DFE11D7DB3F_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]3C=C(CN2CCNCC2)C=N3
|
D19F83D1731E1F80_6B89B065FFFCFF34_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC[N]2C=CC=N2
|
3DFBF816660A6A3D_8CAA340EFFCCFCAB_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN3C(=O)NC2(CCCCC2)C3=O
|
D9A888BAA5391FB5_9D61809D98E4F279_6031_UN
| 27 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.