Drug_ID float64 | Drug string | Y int64 |
|---|---|---|
644,675 | CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1 | 1 |
644,851 | Clc1ccccc1-c1nc(-c2ccccc2)n[nH]1 | 1 |
644,968 | COc1ccccc1CNC(=O)Cn1nnc(-c2ccncc2)n1 | 1 |
645,063 | CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2C)c1 | 0 |
645,164 | CCC(c1nnnn1CC1CCCO1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O | 0 |
6,602,688 | Br.N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(Cl)c(Cl)c1 | 1 |
645,578 | Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N3C(C)CCCC3C)cc2)CC1 | 1 |
645,818 | COc1cccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c12 | 1 |
645,911 | CCc1nnc(SCc2ccc(OC(C)C)cc2)n1N | 1 |
645,965 | Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2c3ccccc3CC2C)CC1 | 1 |
6,398,898 | O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)OCc1ccccc1 | 1 |
646,164 | CCOC(=O)CSC1=C(C#N)C(C)C2=C(CCCC2=O)N1 | 1 |
646,353 | CCOC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 | 1 |
646,395 | CCSC1=C(C#N)C2(CCCCC2)C(C#N)=C(N)N1 | 1 |
646,427 | FC(F)(F)c1ccc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)nc1 | 1 |
646,472 | CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1 | 1 |
646,515 | CCOC(=O)C(NC(C)=O)C(OC(C)=O)c1cccc(N(CCO)CCO)c1 | 0 |
646,597 | CCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 | 1 |
6,602,690 | CN(C)CCNC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O.Cl | 0 |
646,768 | Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)n1 | 0 |
646,780 | COc1cc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1OC | 1 |
646,897 | CN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O | 1 |
646,955 | COC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1 | 0 |
647,166 | CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1 | 1 |
647,262 | Cc1ccc(-c2cnc(NC(=O)CCC(=O)N3CCCCC3)n2C)cc1 | 0 |
647,430 | Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)n1 | 0 |
647,727 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCOCC2)cc1 | 0 |
6,602,522 | Cl.O=C(CN1CCN(c2ncccn2)CC1)NCCC1=CCCCC1 | 1 |
647,987 | Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 1 |
648,407 | CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccccc2)s1 | 0 |
6,602,523 | CCc1cc2c(NCc3ccco3)ncnc2s1.Cl | 1 |
648,537 | CCc1cc2c(NCCO)ncnc2s1 | 0 |
648,672 | Nc1n[nH]c(-c2ccc(Br)cc2)c1Cl | 1 |
648,708 | Cc1nn(C)c(C)c1CNC(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F | 0 |
648,768 | CN(CCC#N)CC(=O)Nc1ccc(NC(=O)CN(C)CCC#N)cc1 | 0 |
648,771 | CCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1 | 1 |
648,947 | COc1ccc(OC)c(NC(=O)C(CC(=O)O)NCc2ccco2)c1 | 0 |
649,015 | O=C1CC(c2cccs2)c2cc3c(cc2N1)OCO3 | 1 |
2,859,713 | Br.COC(=O)Cn1c(=N)n(CCN2CCCCC2)c2ccccc21 | 0 |
5,768,894 | COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccc(C)o1 | 0 |
649,650 | COCc1nnc(NC(=O)CSc2ccc(C)cc2)s1 | 1 |
649,754 | Nc1ncc(-c2ccccc2)n1CC1CCCO1 | 1 |
649,786 | CCCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C | 0 |
649,878 | O=C(O)CCn1nnc(-c2cccs2)n1 | 0 |
650,002 | Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2CCCc1ccccc1 | 0 |
650,023 | O=C(NC1CCCC1)c1cccnc1N1CCCCCC1 | 1 |
135,439,099 | O=C(Cc1cccs1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)CC1 | 1 |
6,602,529 | COc1cccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2)c1.Cl | 1 |
650,250 | Cc1ccc(-c2csc(N3CCC(NS(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1 | 1 |
650,341 | COc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1 | 1 |
650,486 | Cn1c(CNC(=O)Nc2ccccc2)nnc1SCc1ccccc1 | 1 |
650,558 | O=C(CSc1nnc(CNc2ccccc2)o1)N1CCCc2ccccc21 | 1 |
590,998 | CCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1 | 0 |
650,985 | COc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1 | 1 |
5,768,893 | COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccco1 | 0 |
651,086 | COc1ccc(-c2cc(C(F)F)nc(-n3nc(C)cc3C)n2)cc1 | 1 |
651,338 | CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 | 1 |
651,433 | CC(C)c1ccc(-c2nnn(CCC(=O)O)n2)cc1 | 0 |
651,603 | O=C(Nc1cnc2ccccc2c1)c1cccc(-n2cnnn2)c1 | 0 |
135,450,662 | O=C1CN=C(c2cccs2)c2c(sc3c2CCCC3)N1 | 1 |
652,002 | O=C(CSc1nnc(-c2cccnc2)o1)Oc1ccccc1 | 0 |
652,521 | CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 | 0 |
652,799 | CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC | 1 |
652,954 | N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCC1(CC2)OCCO1 | 0 |
2,054,625 | N#C/C(=C/N1CCOCC1)c1ccccc1 | 1 |
6,603,457 | CCC(c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1.Cl | 1 |
6,603,658 | CC(C)(C)c1cc(C(=O)O)c(CN2CCCCC2)o1.Cl | 0 |
653,646 | O=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 | 1 |
653,778 | COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2cccnc21 | 0 |
653,799 | CCc1nnc2sc(-c3ccc(NC(=O)c4ccco4)cc3)nn12 | 1 |
627,902 | CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2O)cc1 | 1 |
654,042 | Cc1n[nH]c(=O)nc1NCc1ccccc1Cl | 1 |
654,244 | CC1CCN(C(=O)CSc2nc3cccnc3n2C)CC1 | 1 |
654,363 | O=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccco1 | 1 |
654,435 | O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1 | 1 |
654,623 | COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccccc2)cc1 | 1 |
655,183 | COc1ccccc1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)Cc1nnnn1CC1CCCO1 | 1 |
655,265 | COc1ccc(OCc2nnc(SCC(=O)O)n2N)cc1 | 0 |
655,401 | CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 | 1 |
655,575 | CC(C)CCn1nnnc1C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 | 1 |
586,663 | O=C(NCCc1ccc(Cl)cc1)c1ncn[nH]1 | 0 |
5,769,094 | COC(=O)c1cc(/C=C/c2ccccc2)on1 | 1 |
655,776 | C=CCn1c(NCc2ccccc2)nc2ccccc21 | 1 |
655,785 | CC(NC(=O)OCc1ccccc1)C(=O)NCC1CCCO1 | 0 |
655,857 | c1ccc(Cn2nnc3c(N4CCc5ccccc5C4)ncnc32)cc1 | 1 |
655,926 | COc1cccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)c1OC | 1 |
656,017 | CC(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 | 0 |
656,232 | O=c1cc[nH]c2cccc(Cc3ccccc3)c12 | 1 |
656,272 | Cc1ccc(-c2[nH]n3c(=O)c4c(nc3c2C)CCCC4)cc1 | 1 |
656,290 | Cc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1 | 1 |
54,686,761 | C=CCn1c(=O)c(C(=O)NCCN(CC)CC)c(O)c2ccccc21.Cl | 0 |
657,423 | CN1CCC2(CC1)C1CN(C)CC=C1C(C#N)=C(N)C2(C#N)C#N.O.[OH-] | 0 |
657,488 | Cc1ccc(C(=O)CNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)cc1 | 1 |
135,449,532 | Cc1cc(=O)[nH]c(-n2nc(C)cc2C)n1 | 0 |
658,313 | Cc1cc(C)n(S(=O)(=O)Cc2ccccc2)n1 | 1 |
658,411 | COC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 | 1 |
658,879 | CCC(NC(=O)Nc1cc(OC)c(OC)c(OC)c1)(C(F)(F)F)C(F)(F)F | 1 |
2,838,016 | CC1=CC=CN2CC(O)CN=C12.Cl | 0 |
659,575 | CCSc1nnc(NC(=O)C(C(F)(F)F)C(F)(F)F)s1 | 1 |
659,654 | Fc1cc2nc(-c3ccncc3)[nH]c2cc1F | 1 |
End of preview. Expand
in Data Studio
README.md exists but content is empty.
- Downloads last month
- 10