BPNUQXPIQBZCMR-LJQANCHMSA-N Cc1c2cc(ccc2n[nH]1)c1cc(cnc1)OC[C@@H](Cc1ccccc1)N 23647015 1 NB2011_DRx 10001 0 0 1 100% 0 WJEOLQLKVOPQFV-UHFFFAOYSA-N Cc1c(cc(cc1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)Nc1nc(cs1)c1cnccc1 10074640 1 NB2011_DRx 10001 0 0 1 100% 0 MPVGZUGXCQEXTM-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c([nH]nc4N)ccc3)cc2)cc(cc1)C 11485656 1 NB2011_DRx 10001 0 0 1 100% 0 CVWXJKQAOSCOAB-UHFFFAOYSA-N CC(C)(C)c1cc(no1)NC(=O)Nc1ccc(cc1)c1cn2c3c(cc(cc3)OCCN3CCOCC3)sc2n1 24889392 1 NB2011_DRx 10001 0 0 1 100% 0 RITAVMQDGBJQJZ-UHFFFAOYSA-N CNC(=O)c1ccccc1Sc1cc2c(cc1)c(n[nH]2)C=Cc1ccccn1 3086685 1 NB2011_DRx 10001 0 0 1 100% 0 RAHBGWKEPAQNFF-UHFFFAOYSA-N O=C(Nc1cc2NCC(c2cc1)(C)C)c1c(NCc2ccncc2)nccc1 11667893 1 NB2011_DRx 5400 0 0 1 100% 0 ODPGGGTTYSGTGO-UHFFFAOYSA-N FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(NC(=O)Nc2ccc(Oc3ncnc(NC)c3)cc2)c1 11409972 1 NB2011_DRx 16 1 1 0 100% 1 OVPNQJVDAFNBDN-UHFFFAOYSA-N C1CNCCC1NC(=O)c1c(cn[nH]1)NC(=O)c1c(cccc1Cl)Cl 11338033 1 NB2011_DRx 10001 0 0 1 100% 0 QYZOGCMHVIGURT-UHFFFAOYSA-N Fc1cc(NC(=O)Cc2[nH]nc(Nc3ncnc4c3ccc(OCCCN(CCO)CC)c4)c2)ccc1 16007391 1 NB2011_DRx 10001 0 0 1 100% 0 XXJWYDDUDKYVKI-UHFFFAOYSA-N Cc1cc2c([nH]1)ccc(c2F)Oc1ncnc2cc(c(cc12)OC)OCCCN1CCCC1 9933475 1 NB2011_DRx 5.4 1 1 0 100% 1 CYOHGALHFOKKQC-UHFFFAOYSA-N Cn1cnc2c1cc(c(c2F)Nc1c(cc(cc1)Br)Cl)C(=O)NOCCO 10127622 1 NB2011_DRx 10001 0 0 1 100% 0 XQVVPGYIWAGRNI-QFIPXVFZSA-N CC[C@H]1C(=O)N(c2cnc(nc2N1C1CCCC1)Nc1c(cc(cc1)C(=O)NC1CCN(CC1)C)OC)C 86295201 1 NB2011_DRx 10001 0 0 1 100% 0 FCLPVPNWFDOVKL-DQSJHHFOSA-N c1ccc2c(c1)/C(=C(/Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C)\c1ccccc1)/C(=O)N2 - 1 NB2011_DRx 810 1 1 0 100% 1 ULXXDDBFHOBEHA-INIZCTEOSA-N CN(C)CC=CC(=O)Nc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)O[C@H]1CCOC1 57519523 1 NB2011_DRx 10001 0 0 1 100% 0 MVCOAUNKQVWQHZ-UHFFFAOYSA-N C(=O)(Nc1c2c(c(cc1)OCCN1CCOCC1)cccc2)Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C 156422 1 NB2011_DRx 10001 0 0 1 100% 0 PSPFQEBFYXJZEV-UHFFFAOYSA-N Cc1cc2c(cc1)nc(c1ncc(n21)C)NCCN 9813758 1 NB2011_DRx 10001 0 0 1 100% 0 OUSFTKFNBAZUKL-UHFFFAOYSA-N s1c(NC(=O)C2CCNCC2)ncc1SCc1oc(C(C)(C)C)cn1 3025986 1 NB2011_DRx 10001 0 0 1 100% 0 WCWUXEGQKLTGDX-NSHDSACASA-N Cc1cc2c([nH]1)ccc(c2F)Oc1ncnn2c1c(c(c2)OC[C@H](C)O)C 11703421 1 NB2011_DRx 26 1 1 0 100% 1 UIARLYUEJFELEN-FMLDBKJISA-N C[C@]12[C@@](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)(CO)O 14096317 1 NB2011_DRx 810 1 1 0 100% 1 KCOYQXZDFIIGCY-CZIZESTLSA-N Fc1c2=C(N)/C(=c/3\[nH]c4cc(N5CCN(CC5)C)ccc4[nH]3)/C(=O)N=c2ccc1 - 1 NB2011_DRx 10001 0 0 1 100% 0 YABJJWZLRMPFSI-UHFFFAOYSA-N FC(F)(F)c1ccc(Nc2n(c3c(n2)cc(Oc2cc(ncc2)c2[nH]c(cn2)C(F)(F)F)cc3)C)cc1 11656518 1 NB2011_DRx 10001 0 0 1 100% 0 OMZCMEYTWSXEPZ-UHFFFAOYSA-N Clc1cc(Nc2ncnc3c2cc(NC(=O)C=C)c(OCCCN2CCOCC2)c3)ccc1F 156414 1 NB2011_DRx 2900 1 1 0 100% 1 GFMMXOIFOQCCGU-UHFFFAOYSA-N C1CC1CONC(=O)c1c(c(c(cc1)F)F)Nc1c(cc(cc1)I)Cl 6918454 1 NB2011_DRx 10001 0 0 1 100% 0 UJLAWZDWDVHWOW-DGCLKSJQSA-N O=C(N1C[C@@H](N(c2ncnc3[nH]ccc23)C)[C@@H](CC1)C)CC#N 9966538 1 NB2011_DRx 10001 0 0 1 100% 0 KTEIFNKAUNYNJU-GFCCVEGCSA-N C[C@H](c1c(ccc(c1Cl)F)Cl)Oc1c(ncc(c1)c1cn(nc1)C1CCNCC1)N 11626560 Crizotinib 1 NB2011_DRx 610 1 1 0 100% 1 ZBNZXTGUTAYRHI-UHFFFAOYSA-N c1c(C(=O)Nc2c(cccc2Cl)C)sc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)n1 3062316 Dasatinib 1 NB2011_DRx 770 1 1 0 100% 1 AAKJLRGGTJKAMG-UHFFFAOYSA-N C#Cc1cc(Nc2c3cc(OCCOC)c(OCCOC)cc3ncn2)ccc1 176870 Erlotinib 1 NB2011_DRx 10001 0 0 1 100% 0 CXQHYVUVSFXTMY-UHFFFAOYSA-N COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1c(cc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F)F 42642645 1 NB2011_DRx 230 1 1 0 100% 1 BIIVYFLTOXDAOV-YVEFUNNKSA-N CN1CC[C@@H]([C@@H](C1)O)c1c2oc(cc(=O)c2c(O)cc1O)c1c(Cl)cccc1 5287969 1 NB2011_DRx 450 1 1 0 100% 1 DEZZLWQELQORIU-UHFFFAOYSA-N C1CC(=NO)c2c1cc(cc2)c1cn(nc1c1ccncc1)CCO 57519545 1 NB2011_DRx 10001 0 0 1 100% 0 LHNIIDJUOCFXAP-UHFFFAOYSA-N CS(=O)(=O)N1CCN(CC1)Cc1cc2c(s1)c(nc(n2)c1c2cn[nH]c2ccc1)N1CCOCC1 17755052 1 NB2011_DRx 10001 0 0 1 100% 0 XGALLCVXEZPNRQ-UHFFFAOYSA-N C1COCCN1CCCOc1c(cc2c(c1)/c(=N/c1cc(Cl)c(F)cc1)/nc[nH]2)OC 123631 Gefitinib 1 NB2011_DRx 10001 0 0 1 100% 0 XWFUWIOJOVXAMS-FXIRQEPWSA-N CNC(=O)c1c(cccc1F)NC1=NC(=N[C@H]2[C@@H]1C=CN2)Nc1cc2c(cc1OC)CCN2C(=O)CN(C)C - 1 NB2011_DRx 10001 0 0 1 100% 0 ZHJGWYRLJUCMRT-QGZVFWFLSA-N C1N(CCN(C1)C)Cc1cc2c(cc1)ncn2c1cc(c(s1)C(=O)N)O[C@H](C)c1c(cccc1)C(F)(F)F 15983966 1 NB2011_DRx 10001 0 0 1 100% 0 KGPGFQWBCSZGEL-ZDUSSCGKSA-N CCn1c2c(c(ncc2OC[C@H]2CCCNC2)C#CC(C)(C)O)nc1c1nonc1N 16725726 1 NB2011_DRx 10001 0 0 1 100% 0 MYQAUKPBNJWPIE-UHFFFAOYSA-N O(c1c(OC)cc(Cc2c(nc(nc2)N)N)cc1)Cc1ccc(OC)cc1 11617559 1 NB2011_DRx 10001 0 0 1 100% 0 JWNPDZNEKVCWMY-UHFFFAOYSA-N CCOc1c(cc2c(c1)ncc(c2Nc1cc(c(cc1)OCc1ccccn1)Cl)C#N)NC(=O)C=CCN(C)C 53398697 1 NB2011_DRx 4500 0 0 1 100% 0 KTUFNOKKBVMGRW-UHFFFAOYSA-N c1cc(cnc1)c1ccnc(n1)Nc1c(ccc(c1)NC(=O)c1ccc(cc1)CN1CCN(C)CC1)C 5291 Imatinib 1 NB2011_DRx 10001 0 0 1 100% 0 HFNKQEVNSGCOJV-OAHLLOKOSA-N C1CCC(C1)[C@@H](CC#N)n1cc(cn1)c1c2cc[nH]c2ncn1 25126798 Ruxolitinib 1 NB2011_DRx 10001 0 0 1 100% 0 OLESUNNHPSUJLS-UHFFFAOYSA-N CC(CC(=O)N1CCC(CC1)c1cc(c(cc1)NC(=O)c1nc(c[nH]1)C#N)C1=CCCCC1)C - 1 NB2011_DRx 3200 0 0 1 100% 0 SHPFDGWALWEPGS-UHFFFAOYSA-N c1c2c(cc(c1OC)OC)nccc2Oc1ccc(c(c1)OC)NC(=O)N[C@@H](c1sccn1)C 9869779 1 NB2011_DRx 10001 0 0 1 100% 0 YYLKKYCXAOBSRM-UHFFFAOYSA-N C1CN(CCN1)C(=O)c1ccc(cc1)C=Cc1n[nH]c2ccccc12 67089852 1 NB2011_DRx 630 1 1 0 100% 1 BCFGMOOMADDAQU-UHFFFAOYSA-N CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 208908 Lapatinib 1 NB2011_DRx 10001 0 0 1 100% 0 UUADYKVKJIMIPA-UHFFFAOYSA-N Cn1cc(c2ccccc12)C1=C(C(=O)NC1=O)c1cn(c2ccccc12)C1CCN(CC1)Cc1ccccn1.Cl 176166 1 NB2011_DRx 10001 0 0 1 100% 0 ZCBUQCWBWNUWSU-SFHVURJKSA-N C1Cn2cc(c3c2cccc3)C2=C(C(=O)NC2=O)c2cn(c3c2cccc3)CCO[C@@H]1CN(C)C 153999 1 NB2011_DRx 10001 0 0 1 100% 0 ZNOLRTPMNMPLHY-UHFFFAOYSA-N Cc1c(cccn1)C(=O)Nc1c2c(cc(c1OC)Cl)c1c([nH]2)cncc1 9929127 1 NB2011_DRx 10001 0 0 1 100% 0 UXXQOJXBIDBUAC-UHFFFAOYSA-N O(CCCN1CCCCC1)c1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(OC(C)C)cc3)c2cc1OC 3038522 1 NB2011_DRx 10001 0 0 1 100% 0 HHFBDROWDBDFBR-UHFFFAOYSA-N Clc1cc2c(c3nc(ncc3CN=C2c2c(F)cccc2F)Nc2ccc(cc2)C(=O)O)cc1 11712649 1 NB2011_DRx 10001 0 0 1 100% 0 HHZIURLSWUIHRB-UHFFFAOYSA-N Cc1c(cc(cc1)C(=O)Nc1cc(cc(c1)n1cc(nc1)C)C(F)(F)F)Nc1nccc(n1)c1cnccc1 644241 Nilotinib 1 NB2011_DRx 10001 0 0 1 100% 0 CUIHSIWYWATEQL-UHFFFAOYSA-N S(=O)(=O)(N)c1c(ccc(Nc2nc(N(c3cc4nn(c(c4cc3)C)C)C)ccn2)c1)C 10113978 Pazopanib 1 NB2011_DRx 10001 0 0 1 100% 0 VAARYSWULJUGST-UHFFFAOYSA-N Cn1c2nc(ncc2cc(c1=O)c1c(cccc1Cl)Cl)Nc1cc(ccc1)SC 447077 1 NB2011_DRx 360 1 1 0 100% 1 OYONTEXKYJZFHA-OAQYLSRUSA-N Cc1c([nH]c(c1C(=O)N1CCC[C@@H]1CN1CCCC1)C)C=C1c2c(ccc(c2)S(=O)(=O)Cc2c(cccc2Cl)Cl)NC1=O 66596670 1 NB2011_DRx 10001 0 0 1 100% 0 TUVCWJQQGGETHL-UHFFFAOYSA-N O1CCN(CC1)c1nc(nc2c1oc1ncccc21)c1cc(O)ccc1 9884685 1 NB2011_DRx 10001 0 0 1 100% 0 BMGQWWVMWDBQGC-PZFYLCKJSA-N O1[C@]2(n3c4c5n([C@@H]1C[C@H](N(C)C(=O)c1ccccc1)[C@@H]2OC)c1c(c5c2c(c4c4c3cccc4)CNC2=O)cccc1)C 24202429 1 NB2011_DRx 10001 0 0 1 100% 0 YZDJQTHVDDOVHR-UHFFFAOYSA-N CCCS(=O)(=O)Nc1c(c(c(cc1)F)C(=O)c1c[nH]c2ncc(cc12)Cl)F 24180719 1 NB2011_DRx 10001 0 0 1 100% 0 MTICIDWIKCANDD-UHFFFAOYSA-N CC(C)n1c2c(c(=C3C=c4cc(ccc4=N3)O)[nH]1)c(ncn2)N - 1 NB2011_DRx 500 1 1 0 100% 1 YCOYDOIWSSHVCK-UHFFFAOYSA-N Clc1ccc(Nc2nnc(c3c2cccc3)Cc2ccncc2)cc1 151194 1 NB2011_DRx 10001 0 0 1 100% 0 NHHQJBCNYHBUSI-UHFFFAOYSA-N CC1(C(=O)Nc2c(O1)ccc(n2)Nc1nc(ncc1F)Nc1cc(c(c(c1)OC)OC)OC)C 11213558 Tamatinib 1 NB2011_DRx 1400 1 1 0 100% 1 JRNJNYBQQYBCLE-UHFFFAOYSA-N COc1c(c(c(cc1)F)F)C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C 6918852 1 NB2011_DRx 10001 0 0 1 100% 0 CDMGBJANTYXAIV-HHHXNRCGSA-N O=[S@](C)c1ccc(cc1)c1[nH]c(c2ccncc2)c(n1)c1ccc(cc1)F 40467016 1 NB2011_DRx 10001 0 0 1 100% 0 BCZUAADEACICHN-UHFFFAOYSA-N Cn1cc(cn1)c1nn2c(nnc2Sc2cc3c(cc2)nccc3)cc1 24779724 1 NB2011_DRx 10001 0 0 1 100% 0 UBPYILGKFZZVDX-UHFFFAOYSA-N CN1CCN(CC1)CCCOc1c(cc2c(c1)ncc(c2Nc1cc(c(cc1Cl)Cl)OC)C#N)OC 5328940 Bosutinib 1 NB2011_DRx 2 1 1 0 100% 1 MLDQJTXFUGDVEO-UHFFFAOYSA-N c1c(ccc(c1C(F)(F)F)Cl)NC(=O)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC 216239 Sorafenib 1 NB2011_DRx 10001 0 0 1 100% 0 HKSZLNNOFSGOKW-FYTWVXJKSA-N O1[C@@H]2C[C@H]([C@H]([C@@]1(C)n1c3c4c(c5c(c3c3c1cccc3)CNC5=O)c1c(cccc1)n24)OC)NC 44259 1 NB2011_DRx 140 1 1 0 100% 1 CTNPALGJUAXMMC-PMFHANACSA-N Fc1cc2/C(=C/c3[nH]c(c(c3C)C(=O)NC[C@H](O)CN3CCOCC3)C)/C(=O)Nc2cc1 10138259 1 NB2011_DRx 8.2 1 1 0 100% 1 WINHZLLDWRZWRT-ATVHPVEESA-N Cc1c(c(C)c(/C=C\2/c3cc(ccc3NC2=O)F)[nH]1)C(=O)NCCN(CC)CC 5329102 Sunitinib 1 NB2011_DRx 1300 1 1 0 100% 1 QQWUGDVOUVUTOY-UHFFFAOYSA-N CC(C)S(=O)(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1c(cc(cc1)N1CCC(CC1)N1CCN(CC1)C)OC 16038120 1 NB2011_DRx 260 1 1 0 100% 1 UJIAQDJKSXQLIT-UHFFFAOYSA-N c1cc(cc(c1)O)c1nc2c(nc1c1cc(ccc1)O)nc(nc2N)N 10427712 1 NB2011_DRx 10001 0 0 1 100% 0 JOOXLOJCABQBSG-UHFFFAOYSA-N Cc1cnc(nc1Nc1cc(ccc1)S(=O)(=O)NC(C)(C)C)Nc1ccc(cc1)OCCN1CCCC1 16722836 1 NB2011_DRx 10001 0 0 1 100% 0 UHTHHESEBZOYNR-UHFFFAOYSA-N C1CN(C)CCC1COc1cc2c(cc1OC)/c(=N/c1ccc(Br)cc1F)/nc[nH]2 3081361 Vandetanib 1 NB2011_DRx 56 1 1 0 100% 1 GCIKSSRWRFVXBI-UHFFFAOYSA-N N1(CCN(CC1)c1cc(nc(n1)Sc1ccc(cc1)NC(=O)C1CC1)Nc1cc(n[nH]1)C)C 5494449 1 NB2011_DRx 10001 0 0 1 100% 0 VEPKQEUBKLEPRA-UHFFFAOYSA-N Clc1c(c2c3n(nc(Sc4c(F)cc(F)cc4)cc3)cnc2=O)c(Cl)ccc1 3038525 1 NB2011_DRx 10001 0 0 1 100% 0