smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
|
|---|---|---|
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C([N](N=C2C)C3=CC=CC=C3)Cl
|
8B51753ACD48E390_A6FC77C591BFC7CA_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC3=C(C=C2)C=CC=C3
|
BC706FE20E56EA2C_70161AE4014E21BB_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CN)CC2=CC=C(C=C2)F
|
8CCED154CD6E16A1_7C2447649842CC08_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=CC(=O)N2C=C(Br)C=CC2=N3
|
7DF247274F784B31_7C9A5DCC3B19A8FA_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C(OC)=O)O2
|
CB0C2941829A73F3_A48673DA93936D27_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(CCCC)OC3=C2C=CC=C3
|
7A7190BF9828BA29_98547316C890FDFC_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=C(C=C2N)C3=CC=CS3
|
6356CFB2DF20E67A_616BC7149F9F2A68_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN(C)C2=NC=CC=C2
|
85A47FB602CC6448_786D676C7EF44D80_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNCC(F)(F)F
|
856967B8135E83DD_DDA2C67380A74A06_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C([N](N=C2C)C3=CC=C(C=C3)F)Cl
|
AED1A71F82EB309D_7B209E02BFA19269_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)N3C(=NC2=C(C=C(C(=C2)OC)OC)C3=O)S
|
9866ABAAD8FAB960_6AFA1FBCD6A03376_6031_UN
| 33 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2CCCC2
|
F7057BC9A5185C34_AC0D3A04D620D6F7_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(CN(C)C)C=C2
|
8C24F0ABE9D27F8C_4914FF29C113B79B_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(OCC)C=CC(=C2)[N](=O)=O
|
241AED1875EAC44F_7289FDEBCFDF3810_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C(C)[N]2C
|
DB6801401DFC3F88_A21340118349641A_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN(CC2=CC=CC=C2)CC3=CC=CC=C3
|
6A537FCFDA01B89F_13661AFE2D4B0401_6031_UN
| 30 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C=C2)SC(F)F
|
564B04D005E95263_6CDA2454ACAD7F36_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C3=C(N=C2C)C=CC=C3
|
7A2B13AA161CD5D3_748B205FA2823568_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(Cl)N=C3SC=C[N]23
|
7DB96259FE12C3D1_D47D1568E3E3087D_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl
|
80800D721EE6136E_539ABAD9C86EA260_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(N)CCC2
|
62ED61E663164A90_F3F27AB53D0AB648_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C([NH]2)C3=CC=CC=C3
|
D37B6669AD88ACC4_8DD3AA84A2DF9911_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CN)CC2=C(C=CC=C2)C(F)(F)F
|
FC2D3B62610FD5E0_EB1007555F962B8B_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(C)=C
|
0F715E1DF238D771_A8D24FCF04C09AB9_6031_UN
| 18 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)OCC3CC3
|
56FB68199215CA6B_2A11346E659557F1_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(NCCOC)(C)C
|
3A6056987FFF091D_77931F768A44C77E_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2CCC2
|
74F232CD3909F1FA_BCB7BF323BFCB111_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C(=CC=N2)Cl)Cl
|
3BD3A629E91C1EB9_7976561652A35604_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)(CC)CN
|
CB4AED76C628EA8A_139566D8458A8E02_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCCCC2=O
|
78A24396CD0B6747_9AD78056199C7B2A_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(N)=NO
|
5185D34FC3A8B3B8_1792D42DFE6088FF_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=CC(=C2)Cl
|
228AC8F3AD10F2F2_F359F1B2BA060236_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C(C)C)CN
|
CC2ED48B7D2A45AA_5CF25AB7862AEA2C_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(N)CC2CC2
|
5BD45401F0085579_261ED3F9B196CAC8_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=NC=CC=C2
|
C166133DFCE3A58B_A62A4BBC0870FF2E_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCCN2C(C3=C(N)C=CC=C3)=O
|
F4E5A76B91E2B7DD_0FD027643E1E9F98_6031_UN
| 30 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCN2C(=O)C3=C(C=CC=C3)[N](=O)=O
|
ED52B11B5912793F_E687BCB7670115FA_6031_UN
| 30 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3COC2(CCCC2)O3
|
14E682BE2927240A_C4C065118D7C989C_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(NC)C(C)(C)C
|
D72673DCCE2AEE0B_4B2B648B72D1DB23_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CNC2=C(C=CC=C2)C3
|
E7C171930625CA44_C306AA841ABD46EF_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCNC(NCC)=O
|
F03CFF69ECE36F63_6BAF864DD13EF768_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN(C)C2(CN)CCCCC2
|
3999B47B63629C05_9173475AFD7ACC35_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC2=C(N)N(C(NC2=O)=O)CC3=CC=CC=C3
|
5442C013B66A2CAE_DE687478B1C88DDC_6031_UN
| 32 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=CN=C2
|
68F9C417DA82E462_64BB26C6C5CF26D7_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(N)C2=CC=CS2
|
226B9EEDBEA8F2B4_E68ACCDBF6A81F6E_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCCNCC2
|
05B5464170470541_98AB2F2D3E6CBF93_6031_DP
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC(=NC(=N2)N)N
|
B2BCC24FBDB95104_6C81CB94EB69C76F_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC(=CC=C2)Cl
|
67BF64F7117816C6_1CD6F8B4A803ED3D_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C(C)C)NCC2=CC=CC=C2
|
527A48431B822E10_1EEAA63953D3F761_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3
|
994764C203852405_3CE6866F3E3EA853_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C3=C(N=C2CNC)C=CC=C3
|
3514FB1DF8AC86EA_E7B88322D6CF09CE_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C[N]2C
|
4D1609720DB9B35D_8220805635CA4EC2_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C=C(C)C(=N2)N
|
3E0911334C3A3958_0CE27740C3825C95_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC(OCC)=O
|
11999BA37D4BF391_F1739E3EE14A2E11_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2COC(C)(C)O2
|
24B556E6F7939771_8C3A20BC03FB5BE3_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C([N]2C)C3=CC=CC=C3
|
5E55C9A98A89BC14_5704B84CC1C1128B_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CCC)N2CCNCC2
|
4F7818127C1A3F76_3B00069BF31D7E57_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=C(C=C2)C(F)(F)F
|
3E99589620E4792A_DD86D8D696560BD1_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN=C(N)N
|
EC5DE37D13780698_FD71722FE804C043_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CCC2=NN=C(C(F)F)[N]2C3
|
D13D3470B905AD80_D0FF160159F0C49B_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=N[N]2C
|
ADD7B6FA637D2AB3_8ED994468FBA9433_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C)CCCNC2
|
AC6D3179443F6E51_8D36C1FC21B78997_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(CN)C=CC=C2
|
F31EEFBB7327A7A7_B1FDDD0307F87528_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C(=NC3=C2C=C(C=C3)Cl)CSC4=NN=C(O4)C5=CC6=C(C=C5)OCO6
|
249528D94A50E9DA_53DBDFFBBE1E9901_6031_UN
| 41 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)N
|
A391F9772733C60B_3750CFDA34D98A3E_6031_DP
| 17 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2=CC=C(CC(C)C)C=C2
|
CDB48B56190A9EE6_B1D5B7A927CA06EF_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=NC2=C(C=CC(=C2)[N](=O)=O)[NH]3
|
1A04B4F89D31589F_2829B5BCB3FBE443_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCN2CCCC3=C2C=CC=C3
|
FBB082D26181E0C4_D54C3BB102164F3A_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(C)S
|
F064283BEA273A4C_4B9B1795D85F120D_6031_UN
| 18 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=C(C)C3=C2N=CC(=C3)Br
|
348FE5F12C30C38A_4412DBEE16A0F689_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCOC2=CC=C(C=C2)Br
|
87BACCC35DE50D7B_E01C4F5266125D45_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCNC2CCCC3=C2C=CC=C3
|
818B6C9808B5D8A2_5ECA83A3B0D7BD2E_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=C(C=CC=C2)C(F)(F)F
|
A6B39BC02450F36F_7ADF8584EC4B886F_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=CC2=C(C=CC=C2Cl)[NH]3
|
664CE9DB2910CFAC_E0AF3A758F8E625A_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[NH]C(=N2)C3=CC=C(C=C3)Cl
|
548FD808EF55384F_CC47E276F18DC6FD_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCN2C(C(O)=O)=O
|
4B10AD6FF8C77370_73E2A740A2976DD9_6031_DP
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCC3=C([N]2C(=C(C(OCC)=O)C=N2)N=C3)C(=O)OCC
|
09A3ACBAF6D35556_C8DDF101AD54652E_6031_UN
| 35 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C=C2)C3CCCCC3
|
3F3832B400683E18_553EC78355020BC0_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=CC2=C(C=CC(=C2)C)N=C3
|
5153A74FF1869795_5D75F44D23D56BB7_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(CC(C)C)CN
|
88DC5C96336141B9_9197A0EE5FB5561B_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=N2)C3=CC(=CC=C3)Cl
|
E4CBA5D28B7179DC_2E0BC5CFE4793BF0_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4
|
D6F2A324372F3EE9_4957F7A501AEEFA9_6031_UN
| 32 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C(C=C2)OC3=CC=C(C=C3)Cl
|
12AAEF5D7EFE5130_AFCD1138240280E1_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CN(CCC2=CC=CC=C2)C(=O)C3
|
21F510AE0562B600_58BE56C3E7D505A8_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(COC)(C)N
|
F8E5CEB66D1DB73E_45B5F70BDE77F2AB_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CBr)COC2
|
9DEA0ED11FDB09B8_3689FB6BE4E53270_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCN2C(=O)OC3=C2C=CC=C3
|
33C0D70F23D20C9F_47BE57056F015114_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC2=NC3=C([N]2CC)C=CC=C3
|
45BA394105F04324_024D52E4286D5B1C_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CSCC(N2)C3=CC=CC=C3
|
C074361F718B8FD2_15400692F03F11A7_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC(=O)OC2=CC=CC=C2
|
DE83A679FA475B9F_ED2A05083AAFB875_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN(C)[S](=O)(=O)N2CCNCC2
|
BEBB4ECC3550D88A_8EB743562BF7DC56_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC3=C([N]2C)C=CC(=C3)C(F)(F)F
|
9A9C463934FC0BE7_69058BCB5EBE8DDF_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCOC2=CC(=CC=C2)Br
|
A4B303BE7EC3352E_96250DDD0FDA947B_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(CC)N
|
602C5D1E1A2E72BC_6601333A8CE4BC51_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2OC3=C(NC2)C=CC=C3
|
49342BD175F9FB51_476EF14206A80188_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](CC(O)=O)N=N2
|
2F55710EF375645D_C271B4C77E2C5576_6031_DP
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2C(N)C3CCC2C3
|
D2D494846410CB1C_9B0928B96481C420_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2N[C@@H]3CC[C@H]2C3
|
A103E225EA1CA204_4424BC02EFE1E6D1_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCN(CC2N)CC3=CC=CC=C3
|
09294CC7DD45D822_C511703AA0894333_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC(=C(S2)C)C
|
B5734CDFEB639F8A_25B1733AC1468492_6031_UN
| 21 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.