smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
|
|---|---|---|
CC(C)N1N=C(CCC1=O)C(=O)OC2=COC=CC2=S
|
2A28FE1329F414DB_003E83FACC6C737B_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(N)C2=C(C=C(C=C2)F)F
|
AE7A2ECE0D28D9F2_B1CA59E15CA10D03_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCOC)CC=CC2
|
436B3FB77126DE3D_35B6C49CF6D6BC9F_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C)CC=CC2
|
2BAD5463544B19E0_2E33F832913E3E95_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C2=CC=CC(=C2)C(OC)=O)(C)N
|
4D91C044B5932C47_3D7E644BF0BA253B_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C(F)(F)F)C(F)(F)F
|
9C392529336A8AD5_97D5F3C8A9ABBC54_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCC(F)(F)C2
|
0A4A7E6A268C1FE2_AE711C1F41C876A8_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCC(OC)CC2
|
6D75C717733717D1_6C94ED0A2F3AA378_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CON=C2C(C)(C)C
|
4B19765A2ACA4F1C_B1D591D00C26B6BB_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=C(C)N=C2C=CC=CC2=C3
|
8B376EF14E8AEB38_F653EC71FED6F27A_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CN(C)C2)C
|
CC58C6D8D978EF33_BE21F485C5D579AE_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2(N)CCCSC2
|
077AC89FB31FA558_B662660FAA8193CF_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(NCC2=CC=CC=C2)C(F)(F)F
|
1A3868CB65830BA1_37598ECE82338C1A_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCOC2=CC3=C(C=C2)OCO3
|
CFA159602CD3770C_6D2A8BB720C0EF5A_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=CC(=C2)OCCN(C)C
|
A26F24D2105707A7_5F89D971829CFDBA_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(N(C)C)C=CC(=C2)[N](=O)=O
|
3E5D9DD7DCDA7419_CFE5E35952ADF813_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC(F)F)C2=CC=CC=C2
|
16FA7013544A571E_F9D234938C99D148_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[C@@H]3CC2=C(C=CC=C2)CN3
|
01AE4147E3421B73_DFD44D8B06225053_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H](C(OCC)=O)N
|
DB6495CCBA145F91_ABCAD414DA711228_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CN)CC3CC2C=C3
|
CCC5624A279D38B5_C609C4375A14DB01_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC(C)C)CCCCC2
|
EE5694DD443475A3_8434ABB411074C51_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(Br)S2)Br
|
715E1CCAE43DC428_F03523B71D3D041B_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC23CCCCC3
|
DE053676B1AFE3A6_3C2B1CF7BCFC82C2_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCNC2=CC=NC=C2
|
632DDF1CFC608B40_860F13D38BF96595_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(COC(C)(C)OC2)F
|
9F3746BD45696A0E_1BA41360C7FB704D_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2C[C@H]2N
|
99AC0CB447092FA9_B21E0B82527B0DD0_6031_DP
| 18 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC(C)NC2
|
F30BF425C8BD370B_16A6E74B2FE5339C_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)O[N](=O)=O
|
21689AA08704B00F_81051E3499B60400_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)C2=C(C=NC=C2)Br
|
49447DD1259810BA_7785024C4480B1A2_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC(C)(C)C)CN
|
CBE4792625E05F4C_4CE0FB35564CF267_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2C[C@@H](C)OCC2
|
893AD5BF502F8DD1_BE20FD0BB19B573C_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(=C(C)C)Br
|
37046F9674D4793B_AB50197561E7BBD2_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(SCC(OC)=O)C=CC=C2
|
50CA859047914E74_213B3AE6E40DC283_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2CCC[C@H]2N(C)C
|
788DF1E787ABB9DB_DF5DB8F293FC1627_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC3=C2OC(=N3)C
|
043B3B38F4D1F58A_325FC35CA3C1D3BE_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2[C@@H](CNC2)C3=CC=C(C=C3)Cl
|
04152427CE775DA0_A2CD353E4364250A_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=NC2=C(C=C(C=C2)C(F)(F)F)S3
|
36DED77B29ECEE80_A1D77247CF1B3FA2_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2C[C@H](N)CCC2
|
A05F1B533634B028_368CE524F5CEDBDF_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)C2=CC3=C(C=C2)C=CC=C3
|
5E43B34E85F017CA_37834AEDF52F493E_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C2=CC=C(OC)C=C2)C(C)C
|
E211C60C45A046F8_CE6AF2814606D13B_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC(CC)C)C
|
ADD1702FCDDA8F50_B775605168539B61_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC=C(C)C)(C)C=C
|
023E807B6FA83050_23507E33BACC47FA_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN3CCC2(CCCCC2)CC3
|
119DF748BB66EE17_6B0FDB31A5AE7E7F_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2CNC(=O)N2
|
7E75B5A1AB88093E_FBC803BDB78F264E_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(C=C2)OCC3=CC(=CC=C3)C#N)OC
|
E462A04185B32FA9_A12516513397D0E3_6031_UN
| 32 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CN(C)C)CCCCC2
|
170248A13686300C_90823EF1F4E345D1_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCSC(C(C)C)=O
|
8D9469DDC6AE5C74_79BFC3AF2998FF21_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2CCCN2
|
456FF0F6608699B9_D453F10E012B1030_6031_DP
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC4OCCN(C2=NC=NC3=C2C=C(N)C=C3)C4
|
07E7BACF393181E8_C3966BDDB5C391F7_6031_UN
| 31 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CCCN2C(C)=O
|
5E176DCBB9B84E56_4F1FE020F598CCC8_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCSCC(OC)=O
|
85D5704B91112135_E8B6931B2DD2423C_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C)CCC=C2
|
56832E9B1334C03D_5041BE962478E6D8_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(N(CCC)CCC)(C)C
|
AC8EBCA3AB3FFD23_50AAF4ED975A885A_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2COC(CI)C2
|
F4140A9DB974157E_B43CF38CC21F7AAB_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CN(CCC)C)(C)C
|
B768E928727EA048_C6B323AEE5741471_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC(C(C)(C)C)CN
|
86C209D794F09856_87C6D9714C59CF3C_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NO2)CC3=CC=CC=C3
|
51A0A8B23316E3D2_2C0E8DFECFC3EE89_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2C[C@H](C(C)(C)C)CNC2
|
7BC5D77F8A6FE1D9_E65932051CA9E856_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C(C=C2)OCCF
|
8A933B70583D10DA_93B0EC609E28D4FE_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCCC2=CC3=C(C=C2)OCO3
|
308E23E264659F61_B4BBD4796A3A8AB7_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[S](=O)(=O)O
|
08434E6D399FB7E4_6790BA75D4B15023_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(ON=C2Br)C3CC3
|
782406A81471099B_19B352B12A7BB732_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC35C2C6C4C2C3C4C56
|
46E6334BF62BC469_7883E88CC9B1419F_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCCCC2)C(F)(F)F
|
3F80D4969B1CE32C_A0A4B945A04F8858_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCN(CC2)C(=O)C=C
|
5D0CB863DE671416_C50639E9524F5682_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C)NCC(C2)(F)F
|
5126D3E34221B85C_0CBEF7195A9EB9E0_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2CCO2
|
A09BFB7B52E67810_ECE7EB921463FC1E_6031_UN
| 18 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CN(CC(C)C)C)(C)C
|
14860A0E4C4F8D13_1FA7793FD9887BD8_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2C[C@@H](C)NC[C@@H]2C
|
809AE90B08056F0B_007F2C29457F1625_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC34CC2CC(CC(C2)O3)C4
|
BFDF72DEC7E334B6_3F4EFA9D480277C4_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C)CCCC3=C2C=CC=C3
|
B38AA7F3DBCE2509_065F0DB5C4CAA3B6_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NO2)C(N(C)C)=O
|
7CECF21B1750087F_61B7DBBA271CFE7D_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C2CCNCC2)F
|
DF105FC554EC364F_A495D8863180E3C6_6031_DP
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCC[N]2C=CN=C2
|
DAE6F577C659A971_F1833E0B1A499515_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C(=C2)C)C(F)F
|
309DBE564723DAB1_902535960EF59E6B_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=C[N]([C@H]2[C@H](CN)COC2)N=N3
|
D9952E34F5B5B34A_61861E846F7A657E_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)C(C)N(C)C
|
1802396287615194_169BC11431E9FE56_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CC(C)C(C2)C
|
73425C3AF43A241A_D227E8A1E9FC665D_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCOCC2)NCC3=CC=CC=C3
|
6348A1C15A00EBC5_79D31493BC1E1892_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3C[C@@H]2CCCC[C@H]2O3
|
2353EA408A366B22_E9397ED01E525F88_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[C@H](N)C2=CC=C(C=C2)C3=CC=CC=C3
|
25BC7309298E08C9_F9268F7A0486D744_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@]23CCN(C)C[C@H]2CNC3
|
D1CEDD136782CB53_8A74E6090D49B48E_6031_DP
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC(=C2C(F)(F)F)C
|
07B8935D8D216CBC_1AABAA6223358BE0_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CNC(=O)N2
|
D69DFA3B3E2A9C31_80136EDF1AD658F1_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCSCC(F)(F)F
|
725C7A76350221B9_129F8C236CEE4B43_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C[N]2CC3CCOC3
|
A2E4F376B43D76EC_FE7B3D0E46F86C54_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=CC=C(C2=C[N](C)N=C2)C=C3
|
F8FEBCDE639DF4E6_376EECB6B7892BB3_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)[N]2C=CN=N2
|
63A6E018D300B172_8140706417FC0C95_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCCC2)C3=N[NH]C=C3
|
E616C7E3261629F4_80966FB86DFD5C56_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCOC)CC2
|
67263C32A05D703F_3B54EFD63DDE498F_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C)N=CC=C2
|
F55CFA72D1E655CB_4A45BA507C91CEC7_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(C)C(F)F
|
14D9A49CB66A6C60_E15441B67D9A8866_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)N=C(S2)C3=CC=C(C=C3)Cl
|
40E0E04288EBBEC4_0FD1323982202C83_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC3=C(C=C2)C=CC(=C3)CC#N
|
357E0070464B494C_8B01CF1C69E25C5B_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C(=C(C=C2)Cl)F)F
|
46A825641459CFD8_32537656A8D4EFCD_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(N)C(F)(F)F
|
1B6695842F849E1D_A612BE8D55E8D0C3_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(N)CC(C2)(F)F
|
DF2392B2CC68D854_20A31CA88966BDB6_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CCC2=C(C=CC(=C2)F)O3
|
A34243C039258D36_5217D151ED894475_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C([S](C)(=O)=O)C=CS2
|
27AC47B7D70A28C2_4F6406C84DD75C38_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2[C@@H]3CC[C@H](C2)N3
|
AA08717C167E9FA8_DFD11BA891CF9ECF_6031_UN
| 21 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.