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		2	NB2011_DRx;NB2011_RBC	10001;94.02559041	0;0	0	2	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	10001	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	1500	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	10001	0	0	1	100%	0
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	520	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	10001	0	0	1	100%	0
UIARLYUEJFELEN-FMLDBKJISA-N	C[C@]12[C@@](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)(CO)O	14096317		1	NB2011_DRx	1100	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	530	1	1	0	100%	1
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	10001	0	0	1	100%	0
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	10001	0	0	1	100%	0
ZBNZXTGUTAYRHI-UHFFFAOYSA-N	c1c(C(=O)Nc2c(cccc2Cl)C)sc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)n1	3062316	Dasatinib	2	NB2011_DRx;NB2011_RBC	10001;92.8007116	0;0	0	2	100%	0
AAKJLRGGTJKAMG-UHFFFAOYSA-N	C#Cc1cc(Nc2c3cc(OCCOC)c(OCCOC)cc3ncn2)ccc1	176870	Erlotinib	2	NB2011_DRx;NB2011_RBC	10001;96.9738793	0;0	0	2	100%	0
CXQHYVUVSFXTMY-UHFFFAOYSA-N	COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1c(cc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F)F	42642645		1	NB2011_DRx	10001	0	0	1	100%	0
BIIVYFLTOXDAOV-YVEFUNNKSA-N	CN1CC[C@@H]([C@@H](C1)O)c1c2oc(cc(=O)c2c(O)cc1O)c1c(Cl)cccc1	5287969		1	NB2011_DRx	10001	0	0	1	100%	0
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	2	NB2011_DRx;NB2011_RBC	10001;93.52276866	0;0	0	2	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		2	NB2011_DRx;NB2011_RBC	10001;87.58217873	0;0	0	2	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	10001	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	2	NB2011_DRx;NB2011_RBC	10001;93.24071155	0;0	0	2	100%	0
HFNKQEVNSGCOJV-OAHLLOKOSA-N	C1CCC(C1)[C@@H](CC#N)n1cc(cn1)c1c2cc[nH]c2ncn1	25126798	Ruxolitinib	1	NB2011_DRx	1900	1	1	0	100%	1
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	10001	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	890	1	1	0	100%	1
BCFGMOOMADDAQU-UHFFFAOYSA-N	CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	208908	Lapatinib	2	NB2011_DRx;NB2011_RBC	10001;100.1965045	0;0	0	2	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		2	NB2011_DRx;NB2011_RBC	10001;93.18975849	0;0	0	2	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	2	NB2011_DRx;NB2011_RBC	10001;96.33185195	0;0	0	2	100%	0
CUIHSIWYWATEQL-UHFFFAOYSA-N	S(=O)(=O)(N)c1c(ccc(Nc2nc(N(c3cc4nn(c(c4cc3)C)C)C)ccn2)c1)C	10113978	Pazopanib	2	NB2011_DRx;NB2011_RBC	10001;95.89539199	0;0	0	2	100%	0
VAARYSWULJUGST-UHFFFAOYSA-N	Cn1c2nc(ncc2cc(c1=O)c1c(cccc1Cl)Cl)Nc1cc(ccc1)SC	447077		1	NB2011_DRx	10001	0	0	1	100%	0
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		2	NB2011_DRx;NB2011_RBC	10001;104.7212546	0;0	0	2	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		2	NB2011_DRx;NB2011_RBC	10001;96.04675889	0;0	0	2	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	10001	0	0	1	100%	0
YCOYDOIWSSHVCK-UHFFFAOYSA-N	Clc1ccc(Nc2nnc(c3c2cccc3)Cc2ccncc2)cc1	151194		2	NB2011_DRx;NB2011_RBC	10001;92.61515023	0;0	0	2	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	10001	0	0	1	100%	0
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	3700	0	0	1	100%	0
MLDQJTXFUGDVEO-UHFFFAOYSA-N	c1c(ccc(c1C(F)(F)F)Cl)NC(=O)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC	216239	Sorafenib	2	NB2011_DRx;NB2011_RBC	10001;95.73154059	0;0	0	2	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	130	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	430	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	2	NB2011_DRx;NB2011_RBC	140;87.36313736	1;0	1	1	50%	2
QQWUGDVOUVUTOY-UHFFFAOYSA-N	CC(C)S(=O)(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1c(cc(cc1)N1CCC(CC1)N1CCN(CC1)C)OC	16038120		1	NB2011_DRx	150	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	1600	1	1	0	100%	1
UHTHHESEBZOYNR-UHFFFAOYSA-N	C1CN(C)CCC1COc1cc2c(cc1OC)/c(=N/c1ccc(Br)cc1F)/nc[nH]2	3081361	Vandetanib	2	NB2011_DRx;NB2011_RBC	10001;97.35369052	0;0	0	2	100%	0
GCIKSSRWRFVXBI-UHFFFAOYSA-N	N1(CCN(CC1)c1cc(nc(n1)Sc1ccc(cc1)NC(=O)C1CC1)Nc1cc(n[nH]1)C)C	5494449		2	NB2011_DRx;NB2011_RBC	10001;94.85075197	0;0	0	2	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
XRKYMMUGXMWDAO-UHFFFAOYSA-N	C1COCCN1c1cc(=O)cc(o1)c1c2c(ccc1)Sc1ccccc1S2	5278396		1	NB2011_RBC	84.04930482	0	0	1	100%	0
HLCDNLNLQNYZTK-NRFANRHFSA-N	c1ccc(cc1)C(c1ccccc1)C(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc1cc(c(cc1)F)[N+](=O)[O-]	92509771		1	NB2011_RBC	77.03087299	0	0	1	100%	0
ABBADGFSRBWENF-UHFFFAOYSA-N	CC(C)(C)c1c(c(cc(c1)C=C(C#N)C#N)Br)O	2044		1	NB2011_RBC	87.57813268	0	0	1	100%	0
ZGDACLBJJXLKJY-UHFFFAOYSA-N	Cc1nc2c(n1C)cc1c(c2)nc(cn1)c1cccs1	9817165		1	NB2011_RBC	79.76911545	0	0	1	100%	0
NAYRELMNTQSBIN-UHFFFAOYSA-M	CC[n+]1c(n(c2c1cc(cc2)c1nc2ccccc2s1)c1ccccc1)C=CN(C)c1ccccc1.[I-]	5719375		1	NB2011_RBC	81.06434886	0	0	1	100%	0
HOGVTUZUJGHKPL-WRNXMPKJSA-N	Cn1c2ncnc3c2c(cn3[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)c(n1)N	6713096		1	NB2011_RBC	88.33067206	0	0	1	100%	0
BIWGYFZAEWGBAL-UHFFFAOYSA-N	C1CN(CCC1n1c2ccccc2[nH]c1=O)Cc1ccc(cc1)c1nc2cc3c(cc2nc1c1ccccc1)nc[nH]3	-		1	NB2011_RBC	98.16086711	0	0	1	100%	0
SVKSJUIYYCQZEC-UHFFFAOYSA-N	CCN(CC)CCCCN1c2ccccc2Oc2c1cc(cc2)Cl.Cl	16760284		1	NB2011_RBC	83.52609043	0	0	1	100%	0
OLUKILHGKRVDCT-UHFFFAOYSA-N	C1c2c(c3ccccc3NC1=O)[nH]c1c2cc(cc1)[N+](=O)[O-]	5005498		1	NB2011_RBC	77.51866271	0	0	1	100%	0
UBLFSMURWWWWMH-UHFFFAOYSA-N	C1c2c(c3c(ccc(c3)CCC#N)NC1=O)[nH]c1c2cc(cc1)[N+](=O)[O-]	16760286		1	NB2011_RBC	96.41584569	0	0	1	100%	0
AYIIQABSVDIZSY-UHFFFAOYSA-N	CCCCc1c2c(ncc[nH]2)[nH]c1=C1C=CC(=O)C=C1	-		1	NB2011_RBC	76.11268154	0	0	1	100%	0
WVMANZPBOBRWCB-UHFFFAOYSA-N	CCCCc1c([nH]c2nccnc12)c1ccc(cc1)OC	3641059		1	NB2011_RBC	77.83390586	0	0	1	100%	0
RAMROQQYRRQPDL-OAHLLOKOSA-N	CC(C)[C@@H](CO)Nc1nc2c(c(n1)Nc1cc(cc(c1)N)Cl)ncn2C(C)C	6914609		1	NB2011_RBC	83.66301032	0	0	1	100%	0
XHBVYDAKJHETMP-UHFFFAOYSA-N	C1CCN(CC1)CCOc1ccc(cc1)c1cn2c(c(cn2)c2ccncc2)nc1	11524144		1	NB2011_RBC	76.82734332	0	0	1	100%	0
RDTDWGQDFJPTPD-UHFFFAOYSA-N	C1CC1C(=O)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F	9549303		1	NB2011_RBC	94.06319673	0	0	1	100%	0
RWSVQCBZVPWNFM-UHFFFAOYSA-N	CC#N.c1cc(c(c(c1)F)C(=O)n1c(nc(n1)Nc1ccc(cc1)S(=O)(=O)N)N)F	16760303		1	NB2011_RBC	89.48430199	0	0	1	100%	0
DOEWDSDBFRHVAP-UHFFFAOYSA-N	Cc1ccc(cc1)S(=O)(=O)C=CC#N	2301		1	NB2011_RBC	83.65776092	0	0	1	100%	0
WEVYNIUIFUYDGI-UHFFFAOYSA-N	c1cc(cc(c1)C(=O)N)c1cc(ncn1)Nc1ccc(cc1)OC(F)(F)F	5311510		1	NB2011_RBC	85.48817475	0	0	1	100%	0
QMGUOJYZJKLOLH-UHFFFAOYSA-N	CN(C)CCCn1cc(c2ccccc12)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12	2396		1	NB2011_RBC	91.89320635	0	0	1	100%	0
DQYBRTASHMYDJG-UHFFFAOYSA-N	c1ccc2c(c1)c(c[nH]2)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12	2399		1	NB2011_RBC	93.59015026	0	0	1	100%	0
OPQGFIAVPSXOBO-UHFFFAOYSA-N	CC(C)n1cnc2c1nc(nc2NCc1ccccc1)NCCCO	2422		1	NB2011_RBC	103.1934053	0	0	1	100%	0
YAMAGACQNDAKFB-UHFFFAOYSA-N	Cn1cnc2c1cc1c(c2)c(ncn1)Nc1cc(ccc1)Br	2427		1	NB2011_RBC	111.2202	0	0	1	100%	0
QJKBRWSJWQVKLY-UHFFFAOYSA-N	c1ccc2c(c1)C(=Cc1c([nH]c3ccccc13)Cl)C(=O)N2	2607		1	NB2011_RBC	103.5596555	0	0	1	100%	0
UTBSBSOBZHXMHI-GJZGRUSLSA-N	CCn1cnc2c1nc(nc2Nc1cc(ccc1)Cl)N[C@H]1CCCC[C@@H]1N	60034150		1	NB2011_RBC	105.5025926	0	0	1	100%	0
ARIOBGGRZJITQX-UHFFFAOYSA-N	c1cc(c(c(c1)F)NC(=S)n1c(nc(n1)Nc1ccc(cc1)S(=O)(=O)N)N)F	5330812		1	NB2011_RBC	76.54507539	0	0	1	100%	0
DWHVZCLBMTZRQM-UHFFFAOYSA-N	c1cc2nc3c([nH]nc3nc2cc1)N	438981		1	NB2011_RBC	116.0380574	0	0	1	100%	0
DPDZHVCKYBCJHW-UHFFFAOYSA-N	C1COc2c(O1)ccc(c2)c1c([nH]c(n1)c1ccc(cc1)C(=O)N)c1ccccn1	6419753		1	NB2011_RBC	107.1670936	0	0	1	100%	0
SVJQCVOKYJWUBC-UHFFFAOYSA-N	c1c(c(c(c(c1Br)Br)Br)Br)C=CC(=O)O	54326593		1	NB2011_RBC	97.94284455	0	0	1	100%	0
NMFKDDRQSNVETB-UHFFFAOYSA-N	c1ccc2c(c1)c1c3c(c4c5c(cc(cc5)Br)[nH]c4c1[nH]2)c(=O)[nH]c3=O	5330797		1	NB2011_RBC	90.67971312	0	0	1	100%	0
KFAKESMKRPNZTM-UHFFFAOYSA-N	COc1c2c(c(cc1)OC)[nH]c1ccccc1c2=S	3004085		1	NB2011_RBC	94.44789646	0	0	1	100%	0
HFPLHASLIOXVGS-UHFFFAOYSA-N	Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C	481747		1	NB2011_RBC	93.4104158	0	0	1	100%	0
BGVLELSCIHASRV-UHFFFAOYSA-N	CCn1c2c(ccc(c2)OC)sc1=CC(=O)C	647991		1	NB2011_RBC	95.88629933	0	0	1	100%	0
VQNCIRRXQQTXEL-UHFFFAOYSA-N	CC(C)c1c2c(nc(nc2=O)Cc2ccc(cc2)OCCO)n([nH]1)c1c(cccc1Cl)Cl	-		1	NB2011_RBC	99.9021933	0	0	1	100%	0
WEEFNMFMNMASJY-UHFFFAOYSA-M	C[n+]1c2c(c3ccc(c(c3c1)OC)OC)ccc1cc3c(cc21)OCO3.[Cl-]	72311		1	NB2011_RBC	90.80196864	0	0	1	100%	0
UXGJAOIJSROTTN-UHFFFAOYSA-N	c1cc(ccc1c1nc2c([nH]1)cc(cc2)C(=O)N)Oc1ccc(cc1)Cl	9969021		1	NB2011_RBC	95.20349517	0	0	1	100%	0
XZEFMZCNXDQXOZ-UHFFFAOYSA-N	CC(C)n1cnc2c1nc(nc2Nc1cc(ccc1)Cl)NCCO	2856		1	NB2011_RBC	100.1571167	0	0	1	100%	0
YXOXHAUUTIOBDA-UHFFFAOYSA-N	CCOc1c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Br)OCC	2857		1	NB2011_RBC	110.2453559	0	0	1	100%	0
NQVIIUBWMBHLOZ-UHFFFAOYSA-N	CC(C)n1cnc2c1nc(nc2NCc1ccc(cc1)OC)N(CCO)CCO	6918386		1	NB2011_RBC	97.15072226	0	0	1	100%	0
XHEQSRJCJTWWAH-UHFFFAOYSA-N	CCN(CC)C(=O)c1ccc(cc1)Nc1nc2c(c(n1)OCC1CCCCC1)[nH]cn2	10202471		1	NB2011_RBC	91.47468545	0	0	1	100%	0
KKTZALUTXUZPSN-UHFFFAOYSA-N	C1COCCN1c1cc(=O)c2c(o1)c1ccccc1cc2	9860529		1	NB2011_RBC	95.72825372	0	0	1	100%	0
YHKSBKQXCWHTQL-UHFFFAOYSA-N	CC(=O)c1c(cc(cc1)N1CCOCC1)O	9859309		1	NB2011_RBC	90.92625249	0	0	1	100%	0
FALILNHGILFDLC-UHFFFAOYSA-N	C1COCCN1c1cc(c(cc1)C(=O)c1ccccc1)O	16760391		1	NB2011_RBC	94.81615905	0	0	1	100%	0
ZCNBZFRECRPCKU-UHFFFAOYSA-N	C1CN(CCC1=C(c1ccc(cc1)F)c1ccc(cc1)F)CCn1c(=O)c2ccccc2[nH]c1=S	657356		1	NB2011_RBC	96.7866698	0	0	1	100%	0
UAKWLVYMKBWHMX-UHFFFAOYSA-N	CN(C)c1ccc(cc1)C=C1c2ccccc2NC1=O	3135		1	NB2011_RBC	96.58235438	0	0	1	100%	0
DNOKYISWMVFYFA-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)Nc1ccc(cc1)OCc1ccccc1)OC	9843206		1	NB2011_RBC	95.79258553	0	0	1	100%	0
YOHYSYJDKVYCJI-UHFFFAOYSA-N	C1CC1C(=O)Nc1cccc(c1)Nc1ncnc(c1)Nc1cccc(c1)C(F)(F)F	9549299		1	NB2011_RBC	94.14721308	0	0	1	100%	0
DLPSDPPZXRJQOY-UHFFFAOYSA-N	CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl	11566580		1	NB2011_RBC	91.28546198	0	0	1	100%	0
XVECMUKVOMUNLE-UHFFFAOYSA-N	c1ccc(cc1)c1nn2ccccc2c1c1cc2c([nH]nc2nn1)N	11493598		1	NB2011_RBC	89.12414546	0	0	1	100%	0
RODAAYVFYDKHGT-AUWJEWJLSA-N	c1cc(cc(c1)[N+](=O)[O-])c1ccc(o1)/C=N\N/C(=N/[N+](=O)[O-])/N	5339183		1	NB2011_RBC	91.81176186	0	0	1	100%	0
PWUOOJVYZQILBG-UHFFFAOYSA-N	c1ccc2c(c1)c1c([nH]2)c2[n+](cc1)c1ccccc1C2=O.[Cl-]	73292		1	NB2011_RBC	83.00922859	0	0	1	100%	0
FSPQCTGGIANIJZ-UHFFFAOYSA-N	COc1c(cc(cc1)C(=O)Nc1c(c2c(s1)CCCC2)C(=O)N)OC	1048845		1	NB2011_RBC	100.6198625	0	0	1	100%	0
NIMIWWQLOGNYHD-UHFFFAOYSA-N	c1cc2c(cc1O)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O	11601743		1	NB2011_RBC	97.59694552	0	0	1	100%	0
FNZTULJDGIXMJJ-UHFFFAOYSA-N	C1CCN(C1)CCOc1ccc(cc1)Nc1ncc(s1)c1ccccc1	11772958		1	NB2011_RBC	75.40499695	0	0	1	100%	0
JDSJDASOXWCHPN-UHFFFAOYSA-N	n1(c(=O)sn(c1=O)C)Cc1ccccc1	4124851		1	NB2011_RBC	97.90906881	0	0	1	100%	0
ZRHRPGSSSVYBRG-UHFFFAOYSA-N	c1cc(cc(c1)I)CSc1nnc(o1)c1ccncc1	6539732		1	NB2011_RBC	101.0417218	0	0	1	100%	0
YAEMHJKFIIIULI-UHFFFAOYSA-N	COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]	448014		1	NB2011_RBC	96.35769777	0	0	1	100%	0
WNWSUJQVZJJGLF-UHFFFAOYSA-N	c1cc2=C(C(=C3c4c(cc(cc4)Br)NC3=O)N=c2cc1)NO	-		1	NB2011_RBC	103.8055338	0	0	1	100%	0
MENDIXKFTXYTHJ-DMDINBDXSA-N	c1c2c(ccc1)N/C(=C/1\C(=O)Nc3c1ccc(c3)Br)/C/2=N\OC(=O)C	-		1	NB2011_RBC	104.9780272	0	0	1	100%	0
ZDEJZKULWCZIHL-UHFFFAOYSA-N	c1cc2c(nc1)n(cc2C1=C(C(=O)NC1=O)c1nccnc1)CCCO	10020713		1	NB2011_RBC	111.15944	0	0	1	100%	0
VPVLEBIVXZSOMQ-UHFFFAOYSA-N	c1(c2c(ncn1)[nH]c(c2)c1cc(ccc1)N)Oc1cc(ccc1)O	9549289		1	NB2011_RBC	119.1254648	0	0	1	100%	0
JYCUVOXSZBECAY-UHFFFAOYSA-N	Cc1cc(n[nH]1)Nc1nc(nc2ccccc12)c1ccccc1	6419766		1	NB2011_RBC	118.1290531	0	0	1	100%	0
VWVYILCFSYNJHF-UHFFFAOYSA-N	Cn1c2ccccc2c2c3c(c4c5ccccc5n(c4c12)CCC#N)CNC3=O	3501		1	NB2011_RBC	96.73932843	0	0	1	100%	0
LLJJDLHGZUOMQP-UHFFFAOYSA-N	CN(C)CCCn1cc(c2c1ccc(c2)OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12	3499		1	NB2011_RBC	111.1279002	0	0	1	100%	0
DZQLVVLATXPWBK-UHFFFAOYSA-N	c1ccc(cc1)c1n[nH]c2c1oc1ccccc21	3385203		1	NB2011_RBC	120.3552638	0	0	1	100%	0
WXUJAQBSBZLVEV-UHFFFAOYSA-N	c1ccc2c(c1)c1c([nH]2)n2cncc2c2c1c(=O)[nH]c2=O	-		1	NB2011_RBC	103.9796432	0	0	1	100%	0
GELOGQJVGPIKAM-UHFFFAOYSA-N	c1cc2c(ccnc2)c(c1)S(=O)(=O)NCCNCC=Cc1ccc(cc1)Br.Cl.Cl	2733490		1	NB2011_RBC	102.9135003	0	0	1	100%	0
NOXXIYDYFSNHDF-UHFFFAOYSA-N	C1CNCCN(C1)S(=O)(=O)c1cccc2c1ccnc2.Cl.Cl	16219471		1	NB2011_RBC	103.3550008	0	0	1	100%	0
MCAHMSDENAOJFZ-SCUXEZOQSA-N	C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)OC)OC(=O)N)C)C)OC)OC	-		1	NB2011_RBC	86.46632959	0	0	1	100%	0
JBJYTZXCZDNOJW-UHFFFAOYSA-N	COc1cc(c(c(c1)OC)C=C1c2ccccc2NC1=O)OC	3674		1	NB2011_RBC	92.64659461	0	0	1	100%	0
SAYGKHKXGCPTLX-UHFFFAOYSA-N	c1cc(ccc1c1cc(c(s1)NC(=O)N)C(=O)N)F	9903786		1	NB2011_RBC	96.95916563	0	0	1	100%	0
RKUMZEVCWKZXFV-YOCZKUTFSA-N	c1c2c(ccc1)N/C(=C/1\C(=O)Nc3c1cccc3)/C/2=N/OCC[C@H](CO)O	-		1	NB2011_RBC	79.25059291	0	0	1	100%	0
LDEWQRSYYHTQRA-UHFFFAOYSA-N	c1ccc2c(c1)c(c([nH]2)C1=c2ccccc2=NC1=O)NO	-		1	NB2011_RBC	90.44241927	0	0	1	100%	0
YBLWOZUPHDKFOT-UHFFFAOYSA-N	Cc1nc2ccccc2c(c1)NC(=O)Nc1c(ccc(c1)Cl)OC	9549305		1	NB2011_RBC	98.47889454	0	0	1	100%	0
QTCFYQHZJIIHBS-UHFFFAOYSA-N	C1COCCN1CCn1c2ccccc2nc1NC(=O)c1cc(ccc1)[N+](=O)[O-]	11983295		1	NB2011_RBC	88.33910202	0	0	1	100%	0
VNDWQCSOSCCWIP-UHFFFAOYSA-N	CC(C)(C)c1nc2c([nH]1)c1c(cc(cc1)F)c1c2cc[nH]c1=O	5494425		1	NB2011_RBC	93.84938974	0	0	1	100%	0
CBIAKDAYHRWZCU-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)O)Br)OC	3795		1	NB2011_RBC	87.39695129	0	0	1	100%	0
ACPOUJIDANTYHO-UHFFFAOYSA-N	c1ccc2c(c1)c1n[nH]c3cccc(c13)c2=O	8515		1	NB2011_RBC	82.82605947	0	0	1	100%	0
NJTUORMLOPXPBY-UHFFFAOYSA-N	CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1.Cl	176406		1	NB2011_RBC	88.25357297	0	0	1	100%	0
ODZGYELAMAOARP-UHFFFAOYSA-N	c1c2c(ccc1)c(=O)c1c3c2nn(c3ccc1)C	11665831		1	NB2011_RBC	101.1294033	0	0	1	100%	0
ZUDPNBZMAJGYTE-UHFFFAOYSA-N	CS(=O)(=O)O.c1cc(cnc1)c1cc2c(cc1)NC(=O)C2=Cc1ccc[nH]1	24906278		1	NB2011_RBC	95.88904321	0	0	1	100%	0
AVLYNJZZQYEFEA-UHFFFAOYSA-N	c1ccc2c(c1)[nH]c(=C(C#N)c1nc(ncc1)NCCc1cnccc1)s2	71433861		1	NB2011_RBC	96.86835619	0	0	1	100%	0
KQMPRSZTUSSXND-UHFFFAOYSA-N	CCOc1c(c(cc(n1)NC(=O)Cc1c(ccc(c1)OC)OC)N)C#N	11624601		1	NB2011_RBC	92.71612655	0	0	1	100%	0
ZXVUBPLDUMSDOE-UHFFFAOYSA-N	C1CCc2c(C1)c(c(s2)NC(=O)c1cccc2ccccc12)C#N.O	16760525		1	NB2011_RBC	94.55161952	0	0	1	100%	0
KOZFSFOOLUUIGY-IYYJOCMQSA-N	C[C@]12[C@@](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)(C(=O)OC)O	490561		1	NB2011_RBC	81.73650304	0	0	1	100%	0
QQUXFYAWXPMDOE-UHFFFAOYSA-N	C1c2c(c3ccccc3NC1=O)[nH]c1c2cc(cc1)Br	3820		1	NB2011_RBC	90.08180664	0	0	1	100%	0
BLLBARDQJSOSJD-PGUFJCEWSA-N	CN([C@H](Cc1ccc(cc1)OOSOc1cccc2c1ccnc2)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2c1ccnc2	-		1	NB2011_RBC	93.53377966	0	0	1	100%	0
LLLQTDSSHZREGW-UHFFFAOYSA-N	CN(CC=Cc1ccc(cc1)Cl)Cc1ccccc1N(CCO)S(=O)(=O)c1ccc(cc1)OC	3837		1	NB2011_RBC	92.79350524	0	0	1	100%	0
FMETVQKSDIOGPX-UHFFFAOYSA-N	C1CCC(C1)n1cc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1	6603792		1	NB2011_RBC	84.81071352	0	0	1	100%	0
CZQHHVNHHHRRDU-UHFFFAOYSA-N	C1COCCN1c1cc(=O)c2c(o1)c(ccc2)c1ccccc1	3973		1	NB2011_RBC	78.44652937	0	0	1	100%	0
NGAGMBNBKCDCDJ-UHFFFAOYSA-N	C1CN(CCN1)c1cc(=O)c2c(o1)c(ccc2)c1ccccc1	3971		1	NB2011_RBC	88.51498932	0	0	1	100%	0
NHBMKTBZZSJUGA-HKRCYGBASA-N	c1(c(cccc1)S/C(=C(/c1cccc(c1)[C@H](c1ccncc1)O)\C#N)/N)N	-		1	NB2011_RBC	82.45190263	0	0	1	100%	0
GYQSWJNGTWVFOL-UHFFFAOYSA-N	C1CC(=O)N(C1=O)C1=C(C(=O)c2ccccc2C1=O)Cl	389898		1	NB2011_RBC	97.2937673	0	0	1	100%	0
JLOXTZFYJNCPIS-UHFFFAOYSA-N	c1ccc(c(c1)C(=C(N)Sc1ccc(cc1)N)C#N)C(F)(F)F	24906275		1	NB2011_RBC	94.62071451	0	0	1	100%	0
FPYJSJDOHRDAMT-UHFFFAOYSA-N	Cc1c([nH]c(c1C(=O)N1CCN(CC1)C)C)C=C1c2c(ccc(c2)S(=O)(=O)N(C)c2cc(ccc2)Cl)NC1=O	53396327		1	NB2011_RBC	84.74707123	0	0	1	100%	0
UQPMANVRZYYQMD-UHFFFAOYSA-N	c1cc(ccc1Nc1c2c(ncnc2n[nH]1)N)F	11644425		1	NB2011_RBC	88.50326197	0	0	1	100%	0
ODYAQBDIXCVKAE-UHFFFAOYSA-N	c1ccc(c(c1)c1ccc(cc1)CCCC(=O)Nc1ccc(cc1)O)F	11382492		1	NB2011_RBC	95.40812226	0	0	1	100%	0
IBAKVEUZKHOWNG-UHFFFAOYSA-N	c1ccc(cc1)Oc1ccc(cc1)CCNc1ncnc2c1cc(cc2)N	509554		1	NB2011_RBC	83.94472302	0	0	1	100%	0
VXPWQNBKEIVYIS-OAHLLOKOSA-N	C[C@H](c1ccccc1)Nc1nccc(c1)c1c([nH]c(n1)SC)c1ccc(cc1)F	10862355		1	NB2011_RBC	94.9620235	0	0	1	100%	0
DZFBYHUKZSRPHU-UHFFFAOYSA-N	c1cc(ccc1c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1)F	4665		1	NB2011_RBC	128.3921384	0	0	1	100%	0
QFWCYNPOPKQOKV-UHFFFAOYSA-N	COc1cccc(c1N)c1cc(=O)c2ccccc2o1	4713		1	NB2011_RBC	86.82945943	0	0	1	100%	0
BGIYKDUASORTBB-UHFFFAOYSA-N	c1cc(ccc1c1nc(c([nH]1)c1ccncc1)c1ccc(cc1)F)[N+](=O)[O-]	4712		1	NB2011_RBC	95.09150001	0	0	1	100%	0
KFHMLBXBRCITHF-UHFFFAOYSA-N	CNc1ncc2c(c1)c(ncn2)Nc1cc(ccc1)Br	4707		1	NB2011_RBC	93.95827822	0	0	1	100%	0
WUPUZEMRHDROEO-UHFFFAOYSA-N	CCC(=O)Nc1cc2c(cc1)ncnc2Nc1cc(ccc1)Br	4709		1	NB2011_RBC	96.05124726	0	0	1	100%	0
CZDUJGOCEPWCNA-UHFFFAOYSA-N	CCCC(=O)Oc1cc2c(cc1)[nH]c(c2)C(=O)c1cc2ccccc2[nH]1	5330548		1	NB2011_RBC	116.8848594	0	0	1	100%	0
INTPTKHSGKBHHW-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1)OC	10907042		1	NB2011_RBC	83.18508321	0	0	1	100%	0
ZDNURMVOKAERHZ-UHFFFAOYSA-N	COc1c(cc2c(c1)Cc1c2[nH]nc1Nc1cc(ccc1)F)OC	9797370		1	NB2011_RBC	105.3375214	0	0	1	100%	0
PEPCXHNLEXQQSE-UHFFFAOYSA-N	Cc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)Oc1c2cc(c(cc2ncc1)OC)OC.O.O.O	16760609		1	NB2011_RBC	91.45163918	0	0	1	100%	0
DGCXNBUJPWPMJJ-UHFFFAOYSA-N	n12c(nnn1)nc1c(n2)[C@H](c2c1cccc2)O	-		1	NB2011_RBC	89.1955026	0	0	1	100%	0
VFBGXTUGODTSPK-UHFFFAOYSA-N	c1cc2c(c3c1NC(=O)C3=Cc1cnc[nH]1)scn2	57351456		1	NB2011_RBC	93.66943006	0	0	1	100%	0
ZJFMARHFPUZEKI-UHFFFAOYSA-N	c1cc2c(cc1Cl)C(=Cc1cc(c(c(c1)Cl)O)Cl)C(=O)N2	24906292		1	NB2011_RBC	97.02502368	0	0	1	100%	0
SQWZFLMPDUSYGV-UHFFFAOYSA-N	c1cc2nccnc2cc1C=C1C(=O)NC(=O)S1	24906273		1	NB2011_RBC	104.1391789	0	0	1	100%	0
SRLVNYDXMUGOFI-UHFFFAOYSA-N	c1cc2c(cc1C=C1C(=O)NC(=O)S1)OC(O2)(F)F	53394675		1	NB2011_RBC	109.9118135	0	0	1	100%	0
KKDPIZPUTYIBFX-UHFFFAOYSA-N	c1ccc(cc1)n1c2c(cn1)c(ncn2)N	4879		1	NB2011_RBC	107.3350659	0	0	1	100%	0
GDQXJQSQYMMKRA-UHFFFAOYSA-N	CC(C)(C)n1c2c(c(n1)Cc1cccc3ccccc13)c(ncn2)N	5154691		1	NB2011_RBC	100.3698828	0	0	1	100%	0
RONQPWQYDRPRGG-UHFFFAOYSA-N	c1cc(ccc1Nc1c(cc2c(c1)C(=O)NC2=O)Nc1ccc(cc1)F)F	6711154		1	NB2011_RBC	89.15986761	0	0	1	100%	0
KIWODJBCHRADND-UHFFFAOYSA-N	c1ccc(cc1)NC1=C(C(=O)NC1=O)c1cn(c2ccccc12)CCCn1ccnc1	6419755		1	NB2011_RBC	99.20846843	0	0	1	100%	0
PMXCMJLOPOFPBT-OAHLLOKOSA-N	CC(C)[C@@H](CO)Nc1nc2c(c(n1)Nc1cc(ccc1)Cl)ncn2C(C)C	12084804		1	NB2011_RBC	99.21427603	0	0	1	100%	0
QFJCIRLUMZQUOT-JRLVRMFHSA-N	C[C@@H]1CC[C@@H]2C[C@@H](C(=CC=CC=C[C@@H](C[C@@H](C(=O)[C@@H]([C@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]1(O2)O)[C@H](C)C[C@@H]1CC[C@H]([C@@H](C1)OC)O)C)C)O)OC)C)C)C)OC	-		1	NB2011_RBC	97.86767793	0	0	1	100%	0
LLJRXVHJOJRCSM-UHFFFAOYSA-N	c1ccc2c(c1)c(c[nH]2)c1ccncc1	644354		1	NB2011_RBC	99.83448786	0	0	1	100%	0
CMKMGFAUKPAOMG-AWEZNQCLSA-N	NCC(=O)N1CCCN([C@H](C1)C)S(=O)(=O)c1cccc2c1c(cnc2)C	11976582		1	NB2011_RBC	95.30019779	0	0	1	100%	0
FXGHOAZJQNLNFD-KRWDZBQOSA-N	c1c2c(ccc1)n1c(c2C2=C(C(=O)NC2=O)c2cn(c3c2cccc3)C)C[C@H](CC1)CN(C)C	127757		1	NB2011_RBC	101.6396405	0	0	1	100%	0
XFXDYDZBKXMGBX-HOTGVXAUSA-N	c1cc(ccn1)[C@H]1[C@@H](N=C(N1)c1ccc(cc1)OC)CC	-		1	NB2011_RBC	94.18728977	0	0	1	100%	0
NJNKPVPFGLGHPA-UHFFFAOYSA-N	C1=CC(=O)C=CC1=c1[nH]c(c([nH]1)c1ccncc1)c1ccc(cc1)F	-		1	NB2011_RBC	94.75816133	0	0	1	100%	0
CDMGBJANTYXAIV-MHZLTWQESA-N	C[S@](=O)c1ccc(cc1)c1nc(c([nH]1)c1ccncc1)c1ccc(cc1)F	9543416		1	NB2011_RBC	93.93538671	0	0	1	100%	0
VSPFURGQAYMVAN-UHFFFAOYSA-N	C1CNCCC1n1cnc(c1c1nc(ncc1)N)c1ccc(cc1)F	5164		1	NB2011_RBC	93.45059783	0	0	1	100%	0
OTPNDVKVEAIXTI-IYBDPMFKSA-N	C1C[C@@H]2n3c4ccccc4c4c5c(c6c7ccccc7n([C@H]1O2)c6c34)c(=O)[nH]c5=O	447446		1	NB2011_RBC	88.33297348	0	0	1	100%	0
BHWCZLOXTLWZAQ-UHFFFAOYSA-N	Cc1nc(c(o1)c1ccncc1)c1ccccc1	5174		1	NB2011_RBC	97.14619351	0	0	1	100%	0
YOELZIQOLWZLQC-UHFFFAOYSA-N	C1CSc2nc(c(n12)c1ccncc1)c1ccc(cc1)F	5228		1	NB2011_RBC	103.3349637	0	0	1	100%	0
ZFGXZJKLOFCECI-UHFFFAOYSA-N	c1c(ccc(c1)Cl)c1nc(sc1)Nc1ccc(cc1)O	753704		1	NB2011_RBC	94.22834159	0	0	1	100%	0
DMWVGXGXHPOEPT-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)Nc1ccc(cc1)Oc1ccccc1)OC	1474853		1	NB2011_RBC	102.4845402	0	0	1	100%	0
HKSZLNNOFSGOKW-HMWZOHBLSA-N	C[C@]12[C@H]([C@H](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)NC)OC	451705		1	NB2011_RBC	8.003175718	1	1	0	100%	1
WNRSTFUVBWNELX-UHFFFAOYSA-N	CC(=O)O.c1ccc2c(c1)nc1n2c(=O)c2cccc3c(ccc1c23)C(=O)O	16760660		1	NB2011_RBC	102.1093113	0	0	1	100%	0
LOGJQOUIVKBFGH-UHFFFAOYSA-N	CN(C)S(=O)(=O)c1cc2c(cc1)NC(=O)C2=Cc1cc2c([nH]1)CCCC2	5309		1	NB2011_RBC	99.53687968	0	0	1	100%	0
QNUKRWAIZMBVCU-UHFFFAOYSA-N	COc1cc2c(cc1)NC(=O)C2=Cc1cnc[nH]1	24906268		1	NB2011_RBC	86.11511364	0	0	1	100%	0
XPLJEFSRINKZLC-UHFFFAOYSA-N	CCN(CC)CCNC(=O)c1c([nH]c(c1C)C=C1c2c(ccc(c2)Cl)NC1=O)C	24906267		1	NB2011_RBC	81.90143328	0	0	1	100%	0
MLKHXLFEYOOYEY-UHFFFAOYSA-N	Cn1cc(c2ccccc12)C=C1c2c(ccc(c2)S(=O)(=O)N)NC1=O	24906266		1	NB2011_RBC	79.25624816	0	0	1	100%	0
LCACSMNPIITJGG-UHFFFAOYSA-N	c1cc(cc(c1)Nc1nc(ncc1C(=O)N)NCCN)C(F)(F)F.O.O.Cl.Cl	16760670		1	NB2011_RBC	83.89233643	0	0	1	100%	0
KFLWBZPSJQPRDD-UHFFFAOYSA-N	C1Oc2c(O1)cc(cc2)C=C[N+](=O)[O-]	94945		1	NB2011_RBC	89.28964478	0	0	1	100%	0
NMEUKWOOQOHUNA-UHFFFAOYSA-N	c1cc(cnc1)CNc1ncc2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl	9549300		1	NB2011_RBC	78.59412877	0	0	1	100%	0
IBCXZJCWDGCXQT-UHFFFAOYSA-N	c1ccc2c(c1)c(ccn2)c1c([nH]nc1)c1ccccn1	447966		1	NB2011_RBC	88.66521723	0	0	1	100%	0
BTUOOXPZOVNPMF-UHFFFAOYSA-N	Cc1cccc(n1)c1c(nc([nH]1)C(C)(C)C)c1cc2c(cc1)OCO2.Cl	16079009		1	NB2011_RBC	106.7227891	0	0	1	100%	0
UOHFCPXBKJPCAD-UHFFFAOYSA-N	COc1ccc(cc1)C=C(C#N)C#N	2063		1	NB2011_RBC	89.1256825	0	0	1	100%	0
TUCIOBMMDDOEMM-UHFFFAOYSA-N	c1ccc(cc1)CNC(=O)C(=Cc1cc(c(cc1)O)O)C#N	2390		1	NB2011_RBC	99.83796528	0	0	1	100%	0
DXVJRTIPBNBLLB-UHFFFAOYSA-N	c1cc(ccc1C=C(C#N)C(=C(C#N)C#N)N)O	2045		1	NB2011_RBC	90.30972061	0	0	1	100%	0
FQNCLVJEQCJWSU-UHFFFAOYSA-N	Cc1cc2ncc(nc2cc1C)c1ccccc1	2048		1	NB2011_RBC	102.8008004	0	0	1	100%	0
QNOXYUNHIGOWNY-UHFFFAOYSA-N	COc1c(cc2c(c1)ncc(n2)c1ccccc1)OC	2049		1	NB2011_RBC	88.00524075	0	0	1	100%	0
GFNNBHLJANVSQV-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)OC	2051		1	NB2011_RBC	97.01462381	0	0	1	100%	0
PMUJUSJUVIXDQC-UHFFFAOYSA-N	CCOC(=O)c1c([nH]c(c1C)C=C1c2ccccc2NC1=O)C	5654		1	NB2011_RBC	85.115723	0	0	1	100%	0
GGPZCOONYBPZEW-UHFFFAOYSA-N	c1ccc(c(c1)C(=O)Nc1ccc(cc1)Cl)NCc1ccncc1	9797919		1	NB2011_RBC	94.71687608	0	0	1	100%	0
YUWFTONEHHSMEI-CZUORRHYSA-N	C1=C(C(=C[C@@H]2[C@@H]1C(=NC=N2)Oc1ccc(c(c1)Cl)NC(=O)NCCC)OC)OC	-		1	NB2011_RBC	87.97631349	0	0	1	100%	0
RFHPWPWVGFSLOP-UHFFFAOYSA-N	C1CCc2c(C1)cc([nH]2)C=C1c2c(ccc(c2)Br)NC1=O	5655		1	NB2011_RBC	85.98468989	0	0	1	100%	0
WUWDLXZGHZSWQZ-UHFFFAOYSA-N	Cc1cc(c([nH]1)C=C1c2ccccc2NC1=O)C	123015		1	NB2011_RBC	94.86306629	0	0	1	100%	0
HBWLNACPIFKNIP-UHFFFAOYSA-N	COc1ccc(cc1)c1cn2c(c(cn2)c2cscc2)nc1	5329468		1	NB2011_RBC	95.13318978	0	0	1	100%	0
QDLHCMPXEPAAMD-BLNDMVMCSA-N	[C@H]1([C@]2(c3c(C(=O)O1)coc3C(=O)C1=C2[C@H](C[C@]2([C@@H]1CCC2=O)C)OC(=O)C)C)COC	-		1	NB2011_RBC	96.48377219	0	0	1	100%	0
BLQHLDXMMWHXIT-YSZXOBSOSA-N	C[C@@H]([C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1)N.O.Cl.Cl	-		1	NB2011_RBC	95.76845647	0	0	1	100%	0
AXPBLFXFGVEGKU-UHFFFAOYSA-N	c1(c(cc(c(c1)Cl)CO)Nc1c(cnc2c1cc(c(c2)OCCCN1CCN(CC1)C)OC)C#N)Cl	-		1	NB2011_RBC	93.59763601	0	0	1	100%	0
PIQCTGMSNWUMAF-UHFFFAOYSA-N	C1N(CCN(C1)C)c1cc2c(cc1)nc([nH]2)c1c(c2c([nH]c1=O)cccc2F)N	135398510		1	NB2011_RBC	92.32260648	0	0	1	100%	0
ZTFBIUXIQYRUNT-MDWZMJQESA-N	c1c(ccc(c1)C(F)(F)F)/C=C/c1occ(n1)COc1ccc(cc1)CCCCn1nncc1	6444692		1	NB2011_RBC	88.25637629	0	0	1	100%	0
BTIHMVBBUGXLCJ-OAHLLOKOSA-N	OC[C@H](Nc1nc2n(C(C)C)cnc2c(n1)NCc1ccccc1)CC	160355		1	NB2011_RBC	93.43074464	0	0	1	100%	0
UJLAWZDWDVHWOW-AAEUAGOBSA-N	c1(c2c(ncn1)[nH]cc2)N([C@H]1CN(CC[C@@H]1C)C(=O)CC#N)C	25180101		1	NB2011_RBC	95.13789093	0	0	1	100%	0
FYSRKRZDBHOFAY-UHFFFAOYSA-N	c1c(c(c(cc1)F)N(c1nc(c(cc1)C(=O)N)c1c(cc(cc1)F)F)C(=O)N)F	10341154		1	NB2011_RBC	93.65814443	0	0	1	100%	0