Drug_ID string | Drug string | Y int64 |
|---|---|---|
Drug 605 | C/C=C/C(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1 | 0 |
Drug 606 | CC(=O)c1oc([N+](=O)[O-])c(-c2ccccc2)c1-c1ccccc1 | 1 |
Drug 607 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1 | 0 |
Drug 608 | COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 | 1 |
Drug 609 | CCC(=O)Oc1ccc(/C(CC)=C(\CC)c2ccc(OC(=O)CC)cc2)cc1 | 0 |
Drug 610 | NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 | 1 |
Drug 612 | CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C=C(/C)CC/C=C(/C)CCC=C(C)C | 0 |
Drug 613 | Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C | 1 |
Drug 615 | Nc1nc2ccccc2s1 | 0 |
Drug 616 | CCCCOO | 1 |
Drug 617 | COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1O | 1 |
Drug 618 | Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1 | 0 |
Drug 619 | c1ccc2c(c1)-c1ccccc1C1OC21 | 1 |
Drug 621 | O=C(OCCBr)C(=O)OCCBr | 1 |
Drug 623 | C[n+]1ccc(-c2ccccc2)cc1 | 0 |
Drug 627 | Cc1cc2c3ccccc3cc3ccc4cccc1c4c32 | 1 |
Drug 628 | C1CN2CCN1CC2 | 0 |
Drug 629 | COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O | 0 |
Drug 630 | Cc1nc2ccc(N)cc2nc1C | 1 |
Drug 631 | ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H](Cl)C=C[C@H]3[C@@]1(Cl)C2(Cl)Cl | 0 |
Drug 633 | Nc1ccc(N=Nc2ccccc2)c(N)c1 | 1 |
Drug 634 | C[C@@H](O)CO | 0 |
Drug 635 | CCC(CCCC(=O)O)COC(=O)c1ccccc1C(=O)O | 0 |
Drug 636 | CC(=O)NC(CS/C(Cl)=C/Cl)C(=O)O | 1 |
Drug 637 | C=CC(=O)OCC(C)C | 0 |
Drug 638 | CCc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 | 1 |
Drug 639 | Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] | 1 |
Drug 641 | O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl | 1 |
Drug 643 | C1=Cc2c(ccc3c2ccc2ccccc23)C1 | 1 |
Drug 645 | C=CC(=O)OCCOC | 0 |
Drug 646 | CN(C)c1ccc(N=Nc2ccccc2CO)cc1 | 1 |
Drug 647 | C=CCO | 0 |
Drug 648 | Oc1cc(Cl)c(Cl)c(Cl)c1Cl | 0 |
Drug 650 | Cc1c(N)ccc(N=Nc2ccccc2)c1N | 1 |
Drug 652 | CCN | 0 |
Drug 653 | OCCCl | 1 |
Drug 654 | CCCCCCCCCCCCO | 0 |
Drug 656 | O=C1OCC(Br)=C1Br | 1 |
Drug 657 | Nc1c(Cl)cc(Cl)cc1Cl | 0 |
Drug 658 | c1ccc2c(c1)cc1ccc3cccc4c5ccccc5c2c1c34 | 1 |
Drug 659 | CC(C)CNCC(C)C | 0 |
Drug 660 | COc1ccc2c(c1)-c1nccc3cc(OC)c(O)c(c13)C2=O | 1 |
Drug 661 | Nc1nc[nH]n1 | 0 |
Drug 662 | CCOC(=O)CNC(=O)C(C)Br | 1 |
Drug 663 | [N-]=[N+]=Nc1ccc2c(Nc3ccc(NS(=O)(=O)CCCN)cc3)c3cc(N=[N+]=[N-])ccc3nc2c1 | 1 |
Drug 664 | O=[N+]([O-])c1cc(CCl)cc([N+](=O)[O-])c1 | 1 |
Drug 665 | CCCCOC(=O)c1ccccc1N | 0 |
Drug 666 | CCc1c2ccccc2c(C)c2c1ccc1ccccc12 | 0 |
Drug 667 | C1=c2ccccc2=C2Cc3ccccc3C3=C4OC4=C1C32 | 1 |
Drug 668 | C=CC(=O)OCCCCC | 0 |
Drug 669 | CC(C)OS(C)(=O)=O | 1 |
Drug 670 | Cc1c2ccccc2cc2ccc3ccccc3c12 | 1 |
Drug 671 | O=C1c2ccc3ccccc3c2-c2c1ccc1ccccc21 | 1 |
Drug 673 | Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N | 1 |
Drug 674 | CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21 | 0 |
Drug 675 | COC(O)=C1C(C)=NC(COC(N)=O)=C(C(=O)OC(C)C)[C@H]1c1cccc(Cl)c1Cl | 0 |
Drug 677 | C(=C/c1cccc(/C=C/c2ccccc2)c1)\c1ccccc1 | 0 |
Drug 678 | O=[N+]([O-])c1ccc2ccc3ccccc3c2c1 | 1 |
Drug 679 | Cc1c(N)cnc2c1nc1c(C)cccn12 | 1 |
Drug 680 | O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 | 0 |
Drug 682 | CC1c2ccccc2N(C)C2=Nc3ccccc3C21 | 1 |
Drug 684 | O=S(c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O | 1 |
Drug 685 | CC(C)(C)C1=CC(=O)C=C(C2=CC(=O)C=C(C(C)(C)C)C2=O)C1=O | 1 |
Drug 686 | O=C(O)Cc1ccccc1Cl | 0 |
Drug 687 | C=CCCC(C=O)CC | 0 |
Drug 688 | Nc1cnn(-c2ccccc2)c(=O)c1Cl | 0 |
Drug 689 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1 | 1 |
Drug 690 | c1ccc2c(c1)-c1ccccc1C1NC21 | 1 |
Drug 691 | c1ccc2c3c4c(cc5ccccc5c4cc2c1)[C@@H]1O[C@H]31 | 1 |
Drug 692 | C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 | 0 |
Drug 693 | CC(Br)C(=O)NCc1ccc(Cl)cc1 | 1 |
Drug 694 | NNC(=O)CNc1ccc2ccccc2c1 | 0 |
Drug 695 | O=[N+]([O-])c1cc2ccc3cc4ccccc4c4ccc(c1)c2c34 | 1 |
Drug 697 | Oc1ccnc(O)n1 | 0 |
Drug 699 | CC1(C)CC(C(=O)NC(CO)C(O)CO)C(C)(C)[N+]1=O | 0 |
Drug 700 | [N-]=[N+]=NCC(O)Cn1cnc2c(N)ncnc21 | 1 |
Drug 701 | O=C(O)COc1ccc(N(CCCl)CCCl)cc1 | 1 |
Drug 702 | O=C(O)c1occc(=O)c1O | 0 |
Drug 703 | Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-] | 1 |
Drug 704 | CC(=O)Oc1ccc2c(c1)C1(C)OOC1(C)O2 | 1 |
Drug 708 | COc1c2ccoc2nc2c(O)c3c(c(CC=C(C)C)c12)OCO3 | 0 |
Drug 710 | C=C/C1=C/C(C)C(C)(OC(C)=O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23O | 1 |
Drug 713 | CCN(CC)c1ccc2nc3ccc(N(CC)CC)cc3[o+]c2c1 | 1 |
Drug 715 | CCCCCCCCON(OC(C)=O)C(=O)c1ccccc1 | 1 |
Drug 716 | COc1cc2c(c3oc4cccc(O)c4c(=O)c13)C1CCOC1O2 | 0 |
Drug 717 | Nc1ccc(-c2ccc(N)cc2)cc1 | 1 |
Drug 718 | Cc1ccc(C)o1 | 0 |
Drug 719 | CCCCCN(CCCC)N=O | 1 |
Drug 720 | Cc1c(NO)cnc2c1nc1c(C)cccn12 | 1 |
Drug 721 | C[C@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 | 0 |
Drug 722 | c1scc2c1-c1cscc1C1NC21 | 1 |
Drug 724 | Cc1ccc(/N=C/c2cccc3cccnc23)c(C(=O)O)c1 | 0 |
Drug 725 | CN(C)c1ccccc1 | 0 |
Drug 726 | c1cnc2cnncc2c1 | 0 |
Drug 727 | O=C(CO)CO | 1 |
Drug 728 | O=C(O)c1ccc(C(=O)O)cc1 | 0 |
Drug 729 | O=[N+]([O-])c1ccc2oc3ccccc3c2c1 | 1 |
Drug 735 | CCNc1nc(Cl)nc(NC(C)C)n1 | 0 |
Drug 738 | CN(N=O)c1cccnc1 | 0 |
Drug 739 | CC(C)Nc1ccc(Nc2ccccc2)cc1 | 0 |
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