Drug_ID string | Drug string | Y int64 |
|---|---|---|
Drug 452 | CN1CCCC1=O | 0 |
Drug 453 | O=[N+]([O-])c1cccc([N+](=O)[O-])c1O | 0 |
Drug 454 | CC(C)(O)C#N | 0 |
Drug 456 | NCCc1c[nH]cn1 | 0 |
Drug 458 | Oc1ccc2c(O)cccc2c1 | 1 |
Drug 459 | CCOC(=O)N(CCC=O)N=O | 1 |
Drug 460 | CCOC(C)C(=O)C(O)O | 1 |
Drug 462 | OC1C=Cc2c(cc3c(ccc4ccccc43)c2Br)C1O | 0 |
Drug 463 | Oc1ccc(Nc2ccc3ccccc3c2)cc1 | 0 |
Drug 464 | COc1ccc(OC)c(N=Nc2c(O)ccc3ccccc23)c1 | 1 |
Drug 466 | O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12 | 1 |
Drug 467 | C=CC[C@]1([C@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O | 0 |
Drug 470 | CC(=O)Nc1ccc2c(c1O)Cc1ccccc1-2 | 0 |
Drug 474 | O=[N+]([O-])c1ccccc1SS/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl | 1 |
Drug 475 | CC(=O)c1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2 | 1 |
Drug 477 | CC1c2cc(F)ccc2-c2ccc(F)cc21 | 1 |
Drug 479 | CC(=O)ON(OCc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 | 1 |
Drug 480 | COc1ccc(-c2oc3ccccc3c(=O)c2[N+](=O)[O-])cc1[N+](=O)[O-] | 1 |
Drug 481 | CCCOS(C)(=O)=O | 1 |
Drug 482 | Cc1c(N)cccc1[N+](=O)[O-] | 1 |
Drug 483 | Nc1cnc2ccccc2c1 | 1 |
Drug 484 | O=C(O)CCCCC1SCC2NC(=O)NC21 | 0 |
Drug 485 | CC(C)(C)OOC(=O)c1ccccc1 | 1 |
Drug 488 | O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl | 0 |
Drug 489 | CC1CC2c3cc(Br)cc4c3c(cn4CC3CC3)CC2N(C)C1 | 0 |
Drug 490 | Cn1cnc2c3cccnc3ccc21 | 1 |
Drug 492 | Nc1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1 | 1 |
Drug 493 | Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O | 1 |
Drug 494 | O=C1N(CO)[C@H](O)[C@@H](O)N1CO | 1 |
Drug 497 | Oc1ccc2c3ccccc3c3cc4ccccc4cc3c2c1 | 1 |
Drug 502 | Clc1ccc2ncccc2c1 | 1 |
Drug 504 | C=CC(=O)OCCCC | 0 |
Drug 507 | Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O | 1 |
Drug 508 | Nc1c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2nc[n+]1[O-] | 1 |
Drug 510 | ONc1ccc(Sc2ccccc2)cc1 | 1 |
Drug 513 | O=[N+]([O-])c1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34 | 1 |
Drug 514 | C=CC(=O)NCCCN(C)C | 0 |
Drug 515 | Nc1cccc2nc3ccccc3c(N)c12 | 1 |
Drug 516 | O=Nc1ccc2ccc3c([N+](=O)[O-])ccc4ccc1c2c43 | 1 |
Drug 517 | Nc1ccc([N+](=O)[O-])cc1 | 1 |
Drug 519 | Clc1cccc(Cl)c1 | 0 |
Drug 520 | CCc1c2ccccc2cc2ccc3ccccc3c12 | 0 |
Drug 521 | CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1 | 0 |
Drug 522 | Nc1ccc(-c2ccc(N)c(O)c2)cc1O | 1 |
Drug 523 | CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1 | 1 |
Drug 524 | NCCS | 0 |
Drug 525 | CC(=O)N(C)c1ccc(N=Nc2ccc(N(C)C(C)=O)cc2)cc1 | 0 |
Drug 526 | C[n+]1c2ccccc2nc2ccccc21 | 1 |
Drug 528 | C1CCCNCC1 | 0 |
Drug 530 | Oc1ccc(Cl)cc1Cc1ccccc1 | 0 |
Drug 531 | COc1ccc(N)cc1 | 1 |
Drug 532 | CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O | 1 |
Drug 533 | O=[N+]([O-])c1ccc2[nH]c3c([N+](=O)[O-])cccc3c2c1 | 1 |
Drug 536 | CCCCCCCCCCCCCCCCCC1=NCCN1CCO | 0 |
Drug 537 | Nc1cccc(-c2ccccc2)c1 | 1 |
Drug 539 | NCCN1CCNCC1 | 0 |
Drug 540 | Cc1ccc(N(CCCl)CCCl)cc1 | 0 |
Drug 541 | OC1C=Cc2c(c3ccccc3c3cc4ccccc4cc23)C1O | 1 |
Drug 542 | COC(=O)c1cc2ccc3cccnc3c2[nH]1 | 0 |
Drug 545 | O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1 | 1 |
Drug 546 | CC(=O)Nc1ccc(C)c(N=[N+]([O-])c2cc(NC(C)=O)ccc2C)c1 | 0 |
Drug 552 | CCOC(=O)c1[nH]c2ccccc2c1/N=C/c1ccc(C)cc1 | 0 |
Drug 553 | c1ccc2c(c1)-c1cc3ccc4ccccc4c3cc1C1NC21 | 1 |
Drug 555 | CN(C)C1CCCCC1 | 0 |
Drug 556 | CC(Br)C(=O)Nc1ccccc1 | 1 |
Drug 557 | O=C(O)C1CSC(c2ccccc2O)N1C(=O)CCSSCCC(=O)N1C(C(=O)O)CSC1c1ccccc1O | 0 |
Drug 558 | CN1C[C@H](C(=O)N[C@@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@@H]21 | 0 |
Drug 559 | O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2 | 1 |
Drug 562 | O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2 | 1 |
Drug 563 | CCCCCCCCC | 0 |
Drug 564 | CCN(CC)C(=S)SSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O | 0 |
Drug 566 | Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)O)c1 | 0 |
Drug 568 | CC/C=C/C=C/C=C/C=C/C=C/OCCC | 1 |
Drug 569 | COC[C@H](O)Cn1ccnc1[N+](=O)[O-] | 1 |
Drug 570 | CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC | 0 |
Drug 571 | CC/C=C/C=C/C=C/C=C/C=C/OCC(O)CO | 1 |
Drug 572 | C=C(C)C(C)Cl | 1 |
Drug 573 | COc1c(C(=O)O)c(O)nc2ccccc12 | 0 |
Drug 575 | O=C1CCC(=O)O1 | 0 |
Drug 577 | CC(C)(C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1 | 1 |
Drug 578 | Cc1cccc2ccccc12 | 0 |
Drug 579 | CCOC(=O)C(N)CS | 1 |
Drug 580 | C1=C[C@@H]2c3ccccc3O[C@@H]2O1 | 1 |
Drug 581 | Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 | 0 |
Drug 583 | NC(N)=S | 0 |
Drug 584 | Nc1ccc(Cl)cc1N | 1 |
Drug 587 | O=Nc1ccc(-c2ccccc2)cc1 | 1 |
Drug 588 | C=CCN(CC=C)CC=C | 0 |
Drug 589 | O=C(Cl)C(Cl)Cl | 1 |
Drug 590 | COc1cc(OC)c2c(=O)c3cc(OC)ccc3oc2c1 | 1 |
Drug 591 | CC(=O)c1ccccn1 | 0 |
Drug 593 | Nc1cc(N)c(N=Nc2ccc(S(N)(=O)=O)cc2)cc1N=Nc1ccc(S(N)(=O)=O)cc1 | 1 |
Drug 594 | COC(=O)C(C)CN=[N+]=[N-] | 1 |
Drug 596 | O=NN1CCCCC1 | 1 |
Drug 597 | CSCCC(=O)N1C(C(=O)O)CSC1c1ccccc1O | 0 |
Drug 598 | O=[N+]([O-])c1cc2c(ccc3cc(N(CCCl)CCCl)ccc32)o1 | 1 |
Drug 600 | FC(F)OC(Cl)C(F)(F)F | 0 |
Drug 601 | Nc1ccc(S(=O)(=O)O)cc1 | 0 |
Drug 602 | O=c1c(Cl)c(Cl)cnn1S(=O)(=O)c1ccc(Cl)cc1 | 0 |
Drug 603 | CCCCCCCCCc1ccc(O)cc1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.