Drug_ID string | Drug string | Y int64 |
|---|---|---|
Drug 740 | OC1C=Cc2c(ccc3cc4c(cc23)C(O)C(O)c2ccccc2-4)C1O | 0 |
Drug 741 | CC1(C)CC(C(N)=O)C(C)(C)N1O | 0 |
Drug 745 | c1cc2ccc3cccc4ncc(c1)c2c34 | 1 |
Drug 750 | Cc1c2ccccc2c(COS(=O)(=O)O)c2ccccc12 | 1 |
Drug 753 | CCCCCCCCCCCCCCCCCCO | 0 |
Drug 754 | COc1ccc(-c2oc3ccccc3c(=O)c2N)cc1N | 1 |
Drug 757 | O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 | 0 |
Drug 758 | Nc1ccc2c(c1)C(=O)c1ccccc1C2=O | 1 |
Drug 759 | CS(=O)(=O)c1ccc(O)c(N)c1 | 0 |
Drug 760 | CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C | 0 |
Drug 761 | COc1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2)cc1 | 1 |
Drug 762 | O=[N+]([O-])c1ccccc1C(F)(F)F | 0 |
Drug 766 | C#CCOCCN1C=CN(C)C1/C=N/O | 0 |
Drug 767 | CC(=O)OCc1c2cccc3ccc4cc5cccc6ccc1c(c65)c4c32 | 1 |
Drug 768 | CC(=O)N/N=C/C1=CN(O)c2ccccc2N1O | 1 |
Drug 769 | O=NN1C[C@@H](Cl)[C@H](Cl)C1 | 1 |
Drug 770 | Nc1cccc2c(N)cccc12 | 1 |
Drug 771 | NC(CO)C(=O)NNCc1ccc(O)c(O)c1O | 1 |
Drug 772 | Cc1ccccc1N=O | 1 |
Drug 773 | Oc1cccc(/C=N/c2snc3ccccc23)c1 | 1 |
Drug 774 | Cc1ccc(-c2nc3ccccc3o2)cc1 | 0 |
Drug 775 | CNc1ccc2ncccc2c1N | 0 |
Drug 776 | O=[N+]([O-])c1ccc(NO)cc1 | 1 |
Drug 777 | CC(=O)Nc1ccc(N)cc1 | 1 |
Drug 779 | CCCCOC[C@H]1CO1 | 1 |
Drug 780 | CCN(C(=O)N(CC)c1ccccc1)c1ccccc1 | 0 |
Drug 782 | CC1CC2(C)C(CCC3C4CCC(O)C4(C)CCC32)CC1=O | 0 |
Drug 783 | CC[C@@H](C)N | 0 |
Drug 784 | CCC(CC)c1cccc(OC(=O)N(C)N=O)c1 | 1 |
Drug 785 | CC(=O)c1cc(Cc2ccc(N)c(C(C)=O)c2)ccc1N | 1 |
Drug 787 | CCCCN(CCC)N=O | 1 |
Drug 788 | Cn1ccnc1N=O | 1 |
Drug 790 | COc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 | 1 |
Drug 791 | CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1 | 1 |
Drug 792 | CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O | 1 |
Drug 793 | Cc1cc(=O)oc2cc(N)ccc12 | 0 |
Drug 794 | CC(=O)N(O)c1ccc2ccc3cccc4ccc1c2c34 | 1 |
Drug 795 | CC1SCC(C(=O)NC(Cc2c[nH]cn2)C(=O)N2CCCC2C(N)=O)NC1=O | 0 |
Drug 796 | CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1 | 1 |
Drug 797 | N=C(N)N=C(N)NCCc1ccccc1 | 0 |
Drug 801 | Cc1ccc(C)c2c1c1ccccc1n2C | 1 |
Drug 802 | c1ccc(-c2ccc([C@@H]3CO3)cc2)cc1 | 1 |
Drug 803 | CC1=C(C)C(=O)C(C)=C(C)C1=O | 0 |
Drug 804 | Cc1ccc(C)cc1 | 0 |
Drug 806 | ClCc1c2ccccc2cc2c1ccc1ccccc12 | 1 |
Drug 807 | COc1cc(C(C)=O)ccc1O | 0 |
Drug 808 | Cc1ccc(C)c(O)c1 | 0 |
Drug 809 | Cc1c2ccccc2c(CCl)c2ccc3ccccc3c12 | 1 |
Drug 810 | CCc1cc(-c2ccccc2)cc(CC)c1N | 0 |
Drug 813 | CCCO | 0 |
Drug 815 | Nc1cccc([N+](=O)[O-])c1 | 1 |
Drug 817 | COc1cc(/C=C/C(=O)OC2CCC34CC35CCC3(C)C(C(C)CCC=C(C)C)CCC3(C)C5CCC4C2(C)C)ccc1O | 0 |
Drug 818 | CC(=O)OC1Cc2c(C)ccc3cc4c(ccc5ccccc54)c1c23 | 1 |
Drug 819 | CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2ncnc1-2 | 0 |
Drug 820 | CCCCCCCCCCCCCC[C@H]1CO1 | 0 |
Drug 821 | O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1 | 1 |
Drug 823 | O=NN1CC[C@H](Br)[C@@H](Br)C1 | 1 |
Drug 826 | Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c1C2=O | 1 |
Drug 827 | ClC(Cl)Cl | 0 |
Drug 829 | CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 | 0 |
Drug 830 | Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl | 0 |
Drug 831 | O=NN1CCOC(O)C1 | 1 |
Drug 832 | O=C1CCC(=O)N1c1ccc(Cl)cc1 | 0 |
Drug 834 | O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c1cccc2[N+](=O)[O-] | 1 |
Drug 835 | C#CC(OC(=O)NC1CCCCC1)(c1ccccc1)c1ccccc1 | 1 |
Drug 836 | ClCc1c2ccccc2c(CCl)c2ccccc12 | 1 |
Drug 837 | C[C@H]1CN(N=O)C[C@@H](C)N1N=O | 1 |
Drug 839 | OC1COC(NCCc2c[nH]c3ccccc23)C(O)C1O | 1 |
Drug 840 | O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O | 0 |
Drug 841 | Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C | 0 |
Drug 843 | O=NN(c1ccc([N+](=O)[O-])cc1)[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O | 1 |
Drug 844 | Nc1c(O)cccc1C(=O)CC(N)C(=O)O | 0 |
Drug 845 | O=NN1CC[C@@H](O)C1 | 1 |
Drug 847 | CC(=O)C1=C(O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O | 1 |
Drug 848 | O=[N+]([O-])C1=Cc2c3c1cccc3cc1ccc3ccccc3c21 | 1 |
Drug 849 | c1cc2ccc3nc4ccccc4c4ccc(c1)c2c34 | 1 |
Drug 850 | CC(=O)OCC[C@@H](C=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O | 1 |
Drug 853 | CC(C)=CCC[C@@](C)(O)[C@H]1CCC=CC1=O | 1 |
Drug 855 | CCOc1ccc2nc(N)sc2c1 | 1 |
Drug 856 | Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c(O)c1C2=O | 1 |
Drug 857 | COc1c(Cl)ccc(Cl)c1C(=O)O | 0 |
Drug 859 | OCc1c2ccccc2cc2ccccc12 | 1 |
Drug 860 | CS(=O)(=O)O | 0 |
Drug 861 | CCCCCNCCCCC | 0 |
Drug 862 | OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 0 |
Drug 863 | Nc1ccc2nc3ccccc3c(N)c2c1 | 1 |
Drug 864 | [O-][Cl+3]([O-])([O-])[O-] | 0 |
Drug 867 | COc1ccc(CN2C3c4ccccc4-c4ccccc4C32)cc1 | 1 |
Drug 868 | C[C@@H](N)[C@@H](O)c1ccccc1 | 0 |
Drug 869 | CC(C)=CCCC(C)CC=O | 0 |
Drug 870 | Cn1cc2ccc([N+](=O)[O-])cc2n1 | 1 |
Drug 871 | O=C(c1ccc(F)cc1)[C@H]1O[C@@H]1c1ccccc1 | 1 |
Drug 872 | CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC | 0 |
Drug 873 | C[C@H]1CCCC(=O)CCC/C=C\c2cc(O)cc(O)c2C(=O)O1 | 0 |
Drug 874 | O=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)cc2c1 | 0 |
Drug 876 | O=[N+]([O-])c1cc(Cl)cc(Sc2cc(Cl)cc([N+](=O)[O-])c2O)c1O | 0 |
Drug 879 | CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 0 |
Drug 880 | O=[N+]([O-])c1cc2c(cc3ccc4cccc5ccc2c3c45)o1 | 1 |
Drug 881 | CCN(CC)N(O)N=O | 1 |
Drug 882 | O=Cc1ccc(Cl)c(Cl)c1 | 0 |
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