smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN(CC3=CC=CC(=C3)C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 8B425B9C4470F338_D0BF89B12A965EB1_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN(CCC3=CC=CC=C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | F6F372FCA1D3A897_A40770578C4E15FF_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3N(CCC4=C3C=CC=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 3DE7494A5E93C0EE_44A3D0A17FEDC375_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C6=CC=C(CN(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)C=C6)=O | CAAE2494400D4D47_F182C600CEBE739F_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=C(C=C3)C#N)F | 28D9EF4F6D11A655_BB39F4F1AB390927_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C(OC)=O)COC3)=O | 915C5B9481D81B0F_A17AF5ABDE2E26D5_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4CC3=C(OC)C=CC=C3OC4)=O | 53C29DD51D13776A_9F2A21452E0CD0F2_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C(OCC)=O)CCCNC3)=O | 24D2BDCE3E1531D5_43770704D19A68A2_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCOC3=CC(=C(C=C3)F)F | 793B86A6216FBF9E_74428AACDDDAF786_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=NS3)C)=O | 7A0F6B3FF0E7606A_F59FF1FCC3DEFF74_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCC3=C(OC)C=CC=C3)=O | 689FC29CA41F83D6_D1D6162B00D7BC65_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC(CC)(CC)C3)=O | 18E4F17B2BB724F3_50662A109341C6D4_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 66BE478EDA3DE080_06040D814AAC4137_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C)CCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | AC62CBF607C0E227_E7EA73740F387F6F_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCN(CCCC)CCCC)=O | BFBEEFAD62D003D3_41FCE5D810D334A6_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC4CN(C3C=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | B1CDB46E1771CE1A_819DE676B703D985_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C#CC3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 5AF07238FF1BD2EE_6B1F4F8082E86726_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@]37C[C@H](CN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)CCC7 | 9E8789454953A14D_39CFC810154BECBE_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]4C[C@@H]3CCC[C@@H]3N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | E6BD814ED111C303_90E198342E741B3B_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3N(CC34CCCC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 69E6BA26F92F0A76_11FD550AFAA6AA05_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CCC(CC3)CN4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | F18B81438AF6BCD6_13FCDFBA53225526_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C7=NOC3(CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7 | F0BB22FEADEFA60C_642EDEF7AE012823_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3N(CCCC3(C)C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 1A14C75D07A56AE0_00558443EC9684E3_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCCCCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 36C7CBCAF25BFA52_744AC50A14299973_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CC)CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 8463B03F24C229B9_D3B8FAEF4A26A40E_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C(C(C)C)N(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 306AEA4D6FB1DC14_235F4FAA48A6AF3A_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3CCCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | BFC7E2EEB2EA5F6E_35EEE805ABA02C41_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN3CCN(CC3=O)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 86ECBCDA2415A9CF_FCF120A7D67ABF37_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(CCO3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 640CC5DBDF84D92C_72BC73D1C0AA633A_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 1C9D7BDD22CF057A_D05F02BC28610CBC_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN(CC3CCCO3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | F4DC6DB4C2FD7A43_C06B7DA298F674FD_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3CSCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | F104F197DA20FC9A_F4596F1F2AE33AF3_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)N(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 1742FB3F9F363A60_B91186DB47F61182_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3N(CCC4=C3C=CO4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | D6017DD207D35784_FC49F46A98A9C401_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NOC4=C3CN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | EC492249E444664A_A1A682A44A6D0DAD_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3C[S](=O)(=O)CCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | FC5F96E9B9933AC9_FAAA2A4F9BBD1205_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7=CC=CC=C7 | DEBCE9761AE3228D_F24C1BFAF2414FD3_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=CN(CC(O)=O)C3=O)Br)=O | FD9F34527B64651C_EDAED0CBD60A2A81_6038_DP | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C3NCC[N]3N=C4)=O | 8BA672145C6E816F_899CBBEAFEC7ADCC_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCN=C=S | CAC2D5508E13CB5F_0950A6A2DAB61310_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CCCOCC3 | 82EB716CAB2E8F1A_FCC0301E61DA2603_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(B(O)O)C=C3)[N](=O)=O)=O | F0186FB1459EA3B1_BCD34D354AA0ADF9_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCC(=O)CC3)C#N | 2F427DCE6C9B26AF_C0F8FE2E0F6080DD_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C(N)O3)=O | E7288B1D44F559DD_F062D80E5341F8CC_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CC(=O)C3)C#N | 506A50E32332286D_737343067DCA9FE0_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C34CCC3CCN4)=O | 6D71BEF6904B35ED_80B983BA414E7028_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=C(C=CC=C3F)F | 7C1DCAD0F80D092A_643E49683A781F1A_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3COCC[N]3C(=N4)C5=CC=CC=C5 | 8DF99B57C83A2F5A_09F64B2309A618EE_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[CH]4C[C]3(C[CH](C3)C#C)C4 | 889064D693EC8E39_ED4AC3F54596218D_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CC(C)C)COC3)=O | B14CA516F9D86889_AF805F0642C6C685_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4CC3CC(=O)CC3C4 | 8EFAF0DF339E3D46_3809482164658554_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C=CC=C[N]3C=N4 | 147A380CCAB85598_04F3A6CFB98AEED3_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC4=C(OCC3=CSC(=N3)C)C=CC=C4)=O | A93FBD2EDE71E4B8_F0098FEDE59CC5A7_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC4=C(C=C3)OCC4 | 2B8D40FFEEC4C301_A77393D59DFB220C_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(C=C3)N4CCCC4=O | 449B497B2FB704BB_F2C9B85DBE880CF0_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=CC4=C(C=C3)OC5=C4C=CC=C5 | 9EC32867367F0493_2778EEE9C645DF83_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C[N]3C=C([S](C)(=O)=O)C=N3)=O | FA719F7A28E3EDFE_DD4BF002CD6BE838_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 14E1E6DADCAB68F8_D711C43B58B8B60F_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3[NH]C5=C(C3=CC=C4)CN(CC5)C(=O)OCC7C6=C(C=CC=C6)C8=C7C=CC=C8 | 0BE555D7C1C30792_D6A5AE2CAC61718A_6038_UN | 46 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3C[C@H](CN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7CCCCC7 | F191990CD4FB45DA_8297E3FD75976757_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(F)CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | C068E68C71DD5897_E38F19023A51D915_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 62AB5AB4E59F8B4C_C1AD62C22F1A5A68_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C)CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | B9B00C536D953141_2E4D3FEA3DA9AA5F_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]4C[C@@H]3CCCC[C@@H]3N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 4CFBBDAE73C6CE2A_FB2D7321FD067739_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)CN(C)C)=O | B7F4723929A0BE48_AE24B436FB78A18E_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCN(CC3=NC=CC=C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 04BB3D90E0858FBE_5596B2837D5569B1_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN(C3CCCC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | E90B2BA310BF3368_6D1176D24F5B21E0_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCCN3C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | A74551B2829F2F84_153EE8CE3B6D0340_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN(CC3=CC=CC=C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 2ED6BF2DB3A079D7_E890754438D65F05_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]4CC3=C(C=CC=C3)N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | FD902D2EA73628F0_8BDA10DFDB748151_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C([N]3C=C(C(OC)=O)C=CC3=N4)F)=O | 43C9F4B144DF8198_274785E2D3E1123D_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN3C(N(C)C(C4=C3C=CC=C4)=O)=O)=O | 6872855BE89CBB40_C3A0910AE5E5B086_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 33914A833C8D7771_6BD37E7A415E5B71_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3C=CCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | D9740025412DC3E0_B1C6B66E16AE571F_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C)CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | E3D0E1B6834B224F_57837B241F831A3F_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | F752869FAB70D248_28859169D8E4B586_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | D78B6002408BCCD3_18AAC7CFB488BFC8_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(F)CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | ECA0835005C0120E_D531F5200DF58387_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)=C3CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 5BD7DDC2AFA1427A_DBB28B110257AFD1_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]4C[C@H]3C[C@H]3N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 5EC8026A7A927992_E3B7317AE36B9F02_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3[C@@H]4CN(C[C@H]34)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | E9CB51F1D9EDF3DD_0099E5CBCEF25A6E_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3N(CCC3C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 183B4DFC41B539B1_446ABCBE14FFACCA_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)C3CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 482AE16A90BFB9E2_D1694923591C26FD_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@]3(C)CCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 27DDD45E54D9D1AB_E627FDD8B02715E5_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[C@H]3CCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | B2169332A578FC0B_6339BBEDD42C655A_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)N(C3CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 3398444C9B0C10F1_01A1D8690B7073E4_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCN(C3CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | A7A17C4771237578_6C71CB581E43F63B_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)COC3CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | BB99F561117C4FE1_7408C2889D8B9BB4_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(F)CCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | C7E276C04DEA6800_37F26FEB1EA9DEFE_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3CSCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | DE5228196877A2FD_5057811E2DB20000_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3SCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 4D5E30E8F771FDC0_26CA820D64D59CF2_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C34CC(C)(C3)CN4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | F98D1DBD3A4AE043_50E403F975E54DED_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CCC3CN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 5003D4792B61316A_CD6778DC6ED05E31_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=C3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 393CE951FA930DEA_7427B0ECCD202C84_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(CC34CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 8A8583455C95EA4F_FB56E59C6F5269E9_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC(C)CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | C1D6945574B42F4D_E56268BB44838918_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCN(CC3C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | C42596EF2E17F6B4_FF7733E2D5890D18_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCN(CC3CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 597CED2EC9A7674C_C3A3EA8FCA644F7D_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CC)CCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 94FD80ACCFDED053_F38D1947926EF05E_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3N(CCC3(C)C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 836D7651F561754D_FC9E3AD80CFCEAAD_6038_UN | 40 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.