Drug_ID string | Drug string | Y int64 |
|---|---|---|
Drug 1 | O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCCC2 | 1 |
Drug 2 | O=c1c2ccccc2c(=O)c2c1ccc1c2[nH]c2c3c(=O)c4ccccc4c(=O)c3c3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)c3c12 | 0 |
Drug 3 | [N-]=[N+]=CC(=O)NCC(=O)NN | 1 |
Drug 4 | [N-]=[N+]=C1C=NC(=O)NC1=O | 1 |
Drug 6 | CCCCN(CC(O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O | 1 |
Drug 7 | [N-]=[N+]=CC(=O)OCC(N)C(=O)O | 1 |
Drug 9 | CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC21C | 0 |
Drug 10 | Nc1nc(N)nc(N)n1 | 0 |
Drug 11 | Cc1ccc(N=Nc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 | 1 |
Drug 12 | CC(C)CC(=O)Nc1snc2ccccc12 | 0 |
Drug 13 | Cc1cccc([N+](=O)[O-])c1C | 1 |
Drug 15 | CCC[N+](=O)[O-] | 0 |
Drug 16 | O=C(O)c1cc([N+](=O)[O-])cc2cccnc12 | 1 |
Drug 18 | NC(=O)Nc1nc2ccccc2[nH]1 | 1 |
Drug 20 | Nc1ccc2c(c1)oc1ccccc12 | 1 |
Drug 21 | Cc1ccc2ccc3ccc(C)cc3c2c1 | 1 |
Drug 22 | Cc1cc2c(nc(N)n2C)c2ncc(-c3ccccc3)nc12 | 1 |
Drug 24 | NNc1nnc(NN)c2ccccc12 | 1 |
Drug 25 | C=CC(=O)NCNC(=O)C=C | 1 |
Drug 26 | OCc1cc2c3c(cccc3c1)-c1ccccc1-2 | 0 |
Drug 28 | Cc1cc(O)c2c(c1)C(=O)C13C4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)C57C(C(=O)C16C2=O)C(C)C3C7C4C | 0 |
Drug 29 | Cc1nc(N)nc(N)n1 | 0 |
Drug 30 | CCNc1nc(N)nc(Cl)n1 | 0 |
Drug 32 | CC(=O)NC(CSC(Cl)=C(Cl)Cl)C(=O)O | 1 |
Drug 33 | CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)C[C@@H]12 | 1 |
Drug 34 | CCN=NNCC | 1 |
Drug 36 | O=[N+]([O-])c1ccc2c(c1)-c1cccc3cccc-2c13 | 1 |
Drug 38 | c1ccc(-c2ccc(CC[C@H]3CO3)cc2)cc1 | 1 |
Drug 39 | Oc1cc2c3ccccc3ccc2c2ccccc12 | 1 |
Drug 40 | Oc1ccc2ccccc2c1N=Nc1ccccc1 | 1 |
Drug 43 | CCOC(=O)C(C)Br | 1 |
Drug 44 | COC1(OC2CCC3C4CCC5CC6SC6CC5(C)C4CCC23C)CCCC1 | 0 |
Drug 46 | CC(=C\C1=CCOC1=O)/C=C(C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O | 1 |
Drug 47 | CCO[P@](=S)(CC)Sc1ccccc1 | 0 |
Drug 48 | Nc1ccc([N+](=O)[O-])c(N)c1 | 1 |
Drug 49 | CCSCCSP(=O)(OC)OC | 0 |
Drug 52 | Brc1ccccc1 | 0 |
Drug 53 | Cc1cc(N)c(S(=O)(=O)O)cc1Cl | 0 |
Drug 54 | Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1 | 0 |
Drug 55 | CN(C)CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O | 1 |
Drug 58 | Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O | 0 |
Drug 59 | COCCl | 0 |
Drug 60 | O=NN1CCOCC1 | 1 |
Drug 62 | Nc1ccc(Nc2ccccc2)cc1 | 0 |
Drug 63 | C=C(C)C(=O)OCCCCC | 0 |
Drug 64 | O=C(O)c1ccccc1 | 0 |
Drug 66 | c1cc2c3c(c1)ccc1cccc(c13)C2 | 1 |
Drug 67 | Fc1ccccc1-c1ccccc1 | 0 |
Drug 68 | Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl | 0 |
Drug 70 | CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C | 0 |
Drug 71 | Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C | 0 |
Drug 72 | Nc1ccc2ccccc2c1N=Nc1ccc([N+](=O)[O-])cc1 | 1 |
Drug 74 | Oc1ccc(Cc2ccccc2O)cc1 | 0 |
Drug 76 | CC(=O)N(O)c1ccc(Oc2ccccc2)cc1 | 1 |
Drug 77 | CC(C)(c1ccc(OP(O)O)cc1)c1ccc(OP(O)O)cc1 | 0 |
Drug 78 | CCCCCCCC(=O)Cl | 1 |
Drug 81 | CCNC(=O)Nc1ncc([N+](=O)[O-])s1 | 1 |
Drug 82 | COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C=CO[C@H]1O4 | 1 |
Drug 83 | O=[N+]([O-])c1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2 | 1 |
Drug 85 | O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O | 1 |
Drug 86 | COC(N)=O | 0 |
Drug 90 | Cc1c2ccccc2c(CBr)c2ccccc12 | 1 |
Drug 92 | C=CC(=O)OC | 0 |
Drug 94 | OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1 | 1 |
Drug 97 | Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1 | 0 |
Drug 99 | CCCCN(COC(C)=O)N=O | 1 |
Drug 102 | Nc1c(O)cc(Cc2cc(Cl)c(N)c(OS(=O)(=O)O)c2)cc1Cl | 0 |
Drug 103 | C1CSCCO1 | 0 |
Drug 104 | Cc1ccccc1N | 1 |
Drug 105 | O=C1c2ccccc2-c2ccccc21 | 0 |
Drug 108 | CS(=O)(=O)Nc1ccc(Nc2c3ccc(N=[N+]=[N-])cc3nc3ccc(N=[N+]=[N-])cc23)cc1 | 0 |
Drug 110 | C/C=C(\Cl)C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O | 1 |
Drug 113 | Nc1ccccc1SCCSc1ccccc1N | 1 |
Drug 114 | O=C(NO)c1ccccc1O | 1 |
Drug 115 | Nc1c(O)cccc1[N+](=O)[O-] | 0 |
Drug 116 | CC(C)(C)c1ccc(/C=C/c2ccc(N)cc2)cc1 | 0 |
Drug 117 | O=C(O)C[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O | 1 |
Drug 118 | c1cc2c3c(cccc3c1)CC2 | 0 |
Drug 119 | CN(C)CCCNc1c2ccccc2nc2c(N(CCO)CCO)ccc([N+](=O)[O-])c12 | 1 |
Drug 120 | CCCCOc1ccc(N=O)cc1 | 1 |
Drug 121 | Cc1cc(S(=O)(=O)O)c(N)cc1Cl | 1 |
Drug 122 | COC(=O)C1=CCCN(C)C1 | 1 |
Drug 123 | CNC(=O)ON | 1 |
Drug 124 | C=CC(=O)O | 0 |
Drug 125 | O=C(O)CC(=O)O | 0 |
Drug 126 | CCCCC=O | 0 |
Drug 127 | O=Nc1ccccc1-c1ccccc1 | 1 |
Drug 129 | CSC(C)(C)C(=O)NC(CS)C(=O)O | 0 |
Drug 130 | C[n+]1ccc(-c2cc[n+](C)cc2)cc1 | 0 |
Drug 134 | Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O | 0 |
Drug 135 | O=[N+]([O-])c1cccc(S(=O)(=O)O)c1 | 0 |
Drug 136 | COc1ccc(O)c(C(C)(C)C)c1 | 0 |
Drug 137 | O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCl | 1 |
Drug 138 | CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C | 0 |
Drug 139 | OCc1cc2ccc3cccc4ccc(c1)c2c34 | 1 |
Drug 140 | CCCCON(OC(C)=O)C(=O)c1ccc(-c2ccccc2)cc1 | 1 |
Drug 141 | C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 0 |
Drug 142 | N#Cc1ccccc1C#N | 0 |
Drug 143 | CC(=O)Nc1cc(N=[N+]([O-])c2ccc(C)c(NC(C)=O)c2)ccc1C | 0 |
Drug 144 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(=C(O)OC2CN(C(c3ccccc3)c3ccccc3)C2)C(N)=N1 | 0 |
End of preview. Expand
in Data Studio
README.md exists but content is empty.
- Downloads last month
- 12