C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1	ZINC000000000346	68/73/65/401687365	ANGKOCUUWGHLCE-HKUYNNGSSA-N	1	318.437	DE	2.456	0	Bother	ref	DEBARO	C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1	fda
Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1	ZINC000000002106	66/73/94/180667394	NHZLNPMOSADWGC-UHFFFAOYSA-N	0	300.343	DE	2.013	2	Anodyne	low	DEAALN	Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1	in-man endogenous
Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1	ZINC000000002106	66/73/92/180667392	NHZLNPMOSADWGC-UHFFFAOYSA-N	-1	300.343	DE	2.013	0	Anodyne	ref	DEAARM	Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1	in-man endogenous
CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1	ZINC000000003322	26/04/53/277260453	OZPFIJIOIVJZMN-GOSISDBHSA-N	1	307.353	DE	2.035	2	Anodyne	low	DEAALO	CNC(=O)c1ccc2cc([C@]3(O)CCn4c[nH+]cc43)ccc2c1	in-vitro
CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1	ZINC000000003322	26/04/48/277260448	OZPFIJIOIVJZMN-GOSISDBHSA-N	0	307.353	DE	2.035	0	Anodyne	ref	DEAARN	CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1	in-vitro
COC(=O)/N=c1\[nH]c2ccc(C(=O)c3cccs3)cc2[nH]1	ZINC000000056509	68/76/45/401687645	KYRVNWMVYQXFEU-UHFFFAOYSA-N	0	301.327	DE	2.456	0	Anodyne	ref	DEAARN	COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1	in-man
Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C	ZINC000000057417	68/76/77/401687677	BRZANEXCSZCZCI-UHFFFAOYSA-N	0	308.341	DE	2.132	0	Anodyne	ref	DEAARN	Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C	world
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O	ZINC000000517261	70/00/33/401700033	IZQSVPBOUDKVDZ-UHFFFAOYSA-N	-2	316.265	DE	2.291	3	Anodyne	high	DEAAHL	COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O)ccc1O	in-man metabolite
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O	ZINC000000517261	70/00/30/401700030	IZQSVPBOUDKVDZ-UHFFFAOYSA-N	0	316.265	DE	2.291	2	Anodyne	low	DEAALN	COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O	in-man metabolite
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O	ZINC000000517261	70/00/27/401700027	IZQSVPBOUDKVDZ-UHFFFAOYSA-N	-1	316.265	DE	2.291	0	Anodyne	ref	DEAARM	COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)ccc1O	in-man metabolite
C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1	ZINC000000896958	70/36/38/401703638	ANGKOCUUWGHLCE-PKOBYXMFSA-N	1	318.437	DE	2.456	0	Bother	ref	DEBARO	C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1	fda
C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1	ZINC000000896968	17/76/71/280177671	ANGKOCUUWGHLCE-MJGOQNOKSA-N	1	318.437	DE	2.456	0	Bother	ref	DEBARO	C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1	fda
COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC	ZINC000000899053	70/36/89/401703689	VABYUUZNAVQNPG-BQYQJAHWSA-N	0	317.341	DE	2.041	0	Anodyne	ref	DEAARN	COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC	in-man endogenous
C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1	ZINC000000968301	70/32/97/401703297	ANGKOCUUWGHLCE-IEBWSBKVSA-N	1	318.437	DE	2.456	0	Bother	ref	DEBARO	C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1	fda
CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1	ZINC000001530567	70/83/75/401708375	NWIUTZDMDHAVTP-KRWDZBQOSA-N	1	307.434	DE	2.393	0	Anodyne	ref	DEAARO	CC(C)[NH2+]C[C@H](O)COc1ccc(CCOCC2CC2)cc1	fda
CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1	ZINC000001530568	87/11/90/180871190	NWIUTZDMDHAVTP-QGZVFWFLSA-N	1	307.434	DE	2.393	0	Anodyne	ref	DEAARO	CC(C)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CC2)cc1	fda
CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21	ZINC000001530912	70/81/11/401708111	KBUZBQVCBVDWKX-UHFFFAOYSA-N	0	302.422	DE	2.215	3	Anodyne	high	DEAAHN	CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21	fda
CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21	ZINC000001530912	70/81/08/401708108	KBUZBQVCBVDWKX-UHFFFAOYSA-N	1	302.422	DE	2.215	1	Anodyne	mid	DEAAMO	CCOCCn1c(N2CCC[N@@H+](C)CC2)nc2ccccc21	fda
CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21	ZINC000001530912	70/81/04/401708104	KBUZBQVCBVDWKX-UHFFFAOYSA-N	1	302.422	DE	2.215	0	Anodyne	ref	DEAARO	CCOCCn1c(N2CCC[N@H+](C)CC2)nc2ccccc21	fda
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1	ZINC000001752601	89/44/49/180894449	YJQZNWPYLCNRLP-UHFFFAOYSA-N	0	309.322	DE	2.117	0	Anodyne	ref	DEAARN	NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1	in-vitro
Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1	ZINC000003084869	72/15/78/401721578	AYAGJQPDCPRMNG-UHFFFAOYSA-N	1	317.433	DE	2.359	0	Anodyne	ref	DEAARO	Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	 
O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	ZINC000003818726	04/72/91/181047291	NCNRHFGMJRPRSK-MDZDMXLPSA-N	-1	318.354	DE	2.006	1	Mild	mid	DEEAMM	O=C(/C=C/c1cccc(S(=O)(=O)[N-]c2ccccc2)c1)NO	fda
O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	ZINC000003818726	04/72/88/181047288	NCNRHFGMJRPRSK-MDZDMXLPSA-N	0	318.354	DE	2.006	0	Mild	ref	DEEARN	O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	fda
COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1	ZINC000003818778	04/70/75/181047075	YAEMHJKFIIIULI-UHFFFAOYSA-N	0	308.319	DE	2.382	0	Bother	ref	DEBARN	COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1	in-vivo
CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O	ZINC000003874498	72/49/85/401724985	XWXYUMMDTVBTOU-UHFFFAOYSA-N	0	317.223	DE	2.448	0	Bother	ref	DEBARN	CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O	fda
O=C(O)CCCCCCC[C@@H](O)[C@H](O)CCCCCCO	ZINC000003881331	05/17/19/181051719	MEHUJCGAYMDLEL-HUUCEWRRSA-N	-1	304.427	DE	2.466	0	Anodyne	ref	DEAARM	O=C([O-])CCCCCCC[C@@H](O)[C@H](O)CCCCCCO	in-vitro
CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1	ZINC000003943521	05/80/88/181058088	OZPFIJIOIVJZMN-SFHVURJKSA-N	1	307.353	DE	2.035	2	Anodyne	low	DEAALO	CNC(=O)c1ccc2cc([C@@]3(O)CCn4c[nH+]cc43)ccc2c1	investigational
CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1	ZINC000003943521	05/80/87/181058087	OZPFIJIOIVJZMN-SFHVURJKSA-N	1	307.353	DE	2.035	0	Anodyne	ref	DEAARO	CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1	investigational
CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1	ZINC000003956788	05/95/36/181059536	YQNQNVDNTFHQSW-UHFFFAOYSA-N	0	307.287	DE	2.229	0	Bother	ref	DEBARN	CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1	fda
O=C(O)CCCCCCC[C@@H](O)[C@@H](O)CCCCCCO	ZINC000004261791	08/91/76/181089176	MEHUJCGAYMDLEL-CABCVRRESA-N	-1	304.427	DE	2.466	0	Anodyne	ref	DEAARM	O=C([O-])CCCCCCC[C@@H](O)[C@@H](O)CCCCCCO	in-vitro
O=C(O)CCCCCCC[C@H](O)[C@H](O)CCCCCCO	ZINC000004521130	11/95/31/181119531	MEHUJCGAYMDLEL-LSDHHAIUSA-N	-1	304.427	DE	2.466	0	Anodyne	ref	DEAARM	O=C([O-])CCCCCCC[C@H](O)[C@H](O)CCCCCCO	in-vitro
O=C(O)CCCCCCC[C@H](O)[C@@H](O)CCCCCCO	ZINC000004521131	11/92/86/181119286	MEHUJCGAYMDLEL-GJZGRUSLSA-N	-1	304.427	DE	2.466	0	Anodyne	ref	DEAARM	O=C([O-])CCCCCCC[C@H](O)[C@@H](O)CCCCCCO	in-vitro biogenic
COC(=O)/N=c1\[nH]c2ccc([S@@](=O)c3ccccc3)cc2[nH]1	ZINC000008584337	75/37/15/401753715	BEZZFPOZAYTVHN-JOCHJYFZSA-N	0	315.354	DE	2.33	0	Anodyne	ref	DEAARN	COC(=O)Nc1nc2cc([S@@](=O)c3ccccc3)ccc2[nH]1	in-man endogenous
COC(=O)/N=c1\[nH]c2ccc([S@](=O)c3ccccc3)cc2[nH]1	ZINC000008584338	56/71/35/181567135	BEZZFPOZAYTVHN-QFIPXVFZSA-N	0	315.354	DE	2.33	0	Anodyne	ref	DEAARN	COC(=O)Nc1nc2cc([S@](=O)c3ccccc3)ccc2[nH]1	in-man endogenous
Cn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2ccccc21	ZINC000013447860	79/98/42/401799842	RGTAEYDIDMGJLX-UHFFFAOYSA-N	0	317.348	DE	2.328	0	Anodyne	ref	DEAARN	Cn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2ccccc21	in-vitro
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1	ZINC000013561228	80/05/80/401800580	DNVZYSMOLXCOLY-HNNXBMFYSA-N	2	309.841	DE	2.159	2	Anodyne	low	DEAALP	[NH3+][C@@H](CC[NH2+]Cc1ccc(Cl)cc1)C(=O)N1CCCCC1	in-vivo
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1	ZINC000013561228	80/05/76/401800576	DNVZYSMOLXCOLY-HNNXBMFYSA-N	1	309.841	DE	2.159	0	Anodyne	ref	DEAARO	N[C@@H](CC[NH2+]Cc1ccc(Cl)cc1)C(=O)N1CCCCC1	in-vivo
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C	ZINC000014974583	81/43/41/401814341	QULDDKSCVCJTPV-UHFFFAOYSA-N	1	318.768	DE	2.131	1	Anodyne	mid	DEAAMO	COc1c(C)c[nH+]c(Cn2cnc3c(Cl)nc(N)nc32)c1C	investigational
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C	ZINC000014974583	81/43/38/401814338	QULDDKSCVCJTPV-UHFFFAOYSA-N	0	318.768	DE	2.131	0	Anodyne	ref	DEAARN	COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C	investigational
CC(=O)c1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1	ZINC000018067894	40/13/52/518401352	VGZSUPCWNCWDAN-UHFFFAOYSA-N	0	324.402	DE	2.414	2	Mild	low	DEEALN	CC(=O)c1ccc(S(=O)(=O)N=C(O)NC2CCCCC2)cc1	world
CC(=O)c1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1	ZINC000018067894	40/13/47/518401347	VGZSUPCWNCWDAN-UHFFFAOYSA-N	-1	324.402	DE	2.414	1	Mild	mid	DEEAMM	CC(=O)c1ccc(S(=O)(=O)N=C([O-])NC2CCCCC2)cc1	world
CC(=O)c1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1	ZINC000018067894	40/13/40/518401340	VGZSUPCWNCWDAN-UHFFFAOYSA-N	-1	324.402	DE	2.414	1	Mild	mid	DEEAMM	CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)NC2CCCCC2)cc1	world
CC(=O)c1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1	ZINC000018067894	40/13/24/518401324	VGZSUPCWNCWDAN-UHFFFAOYSA-N	-1	324.402	DE	2.414	0	Mild	ref	DEEARM	CC(=O)c1ccc(S(=O)([O-])=NC(=O)NC2CCCCC2)cc1	world
CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1	ZINC000023139484	35/07/90/182350790	WWNUCVSRRUDYPP-UHFFFAOYSA-N	1	307.419	DE	2.386	2	Anodyne	low	DEAALO	CCOc1ccc2[nH]c(SCC[NH+]3CCOCC3)nc2c1	 
CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1	ZINC000023139484	35/07/88/182350788	WWNUCVSRRUDYPP-UHFFFAOYSA-N	0	307.419	DE	2.386	1	Anodyne	mid	DEAAMN	CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1	 
CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1	ZINC000023139484	35/07/86/182350786	WWNUCVSRRUDYPP-UHFFFAOYSA-N	0	307.419	DE	2.386	0	Anodyne	ref	DEAARN	CCOc1ccc2[nH]c(SCCN3CCOCC3)nc2c1	 
C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O	ZINC000026506755	84/09/46/401840946	NEMGRZFTLSKBAP-GFCCVEGCSA-N	0	302.349	DE	2.368	1	Anodyne	mid	DEABMN	C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O	in-vivo
C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O	ZINC000026506755	84/09/44/401840944	NEMGRZFTLSKBAP-GFCCVEGCSA-N	1	302.349	DE	2.368	0	Anodyne	ref	DEABRO	C[C@@H]([NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O	in-vivo
CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O	ZINC000028572103	85/22/27/401852227	BXNMTOQRYBFHNZ-UHFFFAOYSA-N	0	314.389	DE	2.474	0	Anodyne	ref	DEAARN	CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O	investigational
Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N	ZINC000040863182	14/46/34/183144634	HQSBCDPYXDGTCL-UHFFFAOYSA-N	0	321.344	DE	2.002	0	Anodyne	ref	DEAARN	Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N	investigational
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O	ZINC000053084692	05/08/36/402050836	NEMGRZFTLSKBAP-LBPRGKRZSA-N	0	302.349	DE	2.368	1	Anodyne	mid	DEAAMN	C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O	fda
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O	ZINC000053084692	05/08/31/402050831	NEMGRZFTLSKBAP-LBPRGKRZSA-N	1	302.349	DE	2.368	0	Anodyne	ref	DEAARO	C[C@H]([NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O	fda
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21	ZINC000073069271	27/63/94/191276394	GYLDXIAOMVERTK-UHFFFAOYSA-N	1	309.333	DE	2.38	2	Anodyne	low	DEAALO	CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)[nH+]cnc21	investigational
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21	ZINC000073069271	27/63/91/191276391	GYLDXIAOMVERTK-UHFFFAOYSA-N	0	309.333	DE	2.38	0	Anodyne	ref	DEAARN	CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21	investigational
O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O	ZINC000096032872	04/72/77/402047277	INAICWLVUAKEPB-QSTFCLMHSA-N	0	321.38	DE	2.447	1	Mild	mid	DEEAMN	O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O	in-vitro
O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O	ZINC000096032872	04/72/72/402047272	INAICWLVUAKEPB-QSTFCLMHSA-N	-1	321.38	DE	2.447	0	Mild	ref	DEEARM	O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1[O-]	in-vitro
CCCCC/N=C(\N)NN/C=C1\C=Nc2ccc(OC)cc21	ZINC000096125875	06/15/97/402061597	JWXDRFUZDKKGDV-VAWYXSNFSA-N	0	301.394	DE	2.351	3	Mild	high	DEEBHN	CCCCCNC(N)=NNC=C1C=Nc2ccc(OC)cc21	in-vitro
CCCCC/N=C(\N)NN/C=C1\C=Nc2ccc(OC)cc21	ZINC000096125875	06/15/94/402061594	JWXDRFUZDKKGDV-VAWYXSNFSA-N	1	301.394	DE	2.351	0	Mild	ref	DEEBRO	CCCCCNC(N)=[NH+]NC=C1C=Nc2ccc(OC)cc21	in-vitro
CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2	ZINC000100018854	13/93/82/402139382	MFWNKCLOYSRHCJ-BTTYYORXSA-N	0	312.417	DE	2.318	3	Anodyne	high	DEAAHN	CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2	fda
CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2	ZINC000100018854	13/93/81/402139381	MFWNKCLOYSRHCJ-BTTYYORXSA-N	1	312.417	DE	2.318	1	Anodyne	mid	DEAAMO	Cn1nc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)[N@H+]3C)c2ccccc21	fda
CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2	ZINC000100018854	13/93/80/402139380	MFWNKCLOYSRHCJ-BTTYYORXSA-N	1	312.417	DE	2.318	0	Anodyne	ref	DEAARO	Cn1nc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)[N@@H+]3C)c2ccccc21	fda
CN(C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1)C1CCCCC1	ZINC000113812628	44/16/71/539441671	DOWVMJFBDGWVML-UHFFFAOYSA-N	0	300.362	DE	2.416	0	Anodyne	ref	DEAARN	CN(C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1)C1CCCCC1	in-vitro
N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1	ZINC000210747484	27/83/38/402278338	BHTWDJBVZQBRKP-UHFFFAOYSA-N	1	305.341	DE	2.333	1	Mild	mid	DEEAMO	N#Cc1cccc(-c2c[nH]c3nc[nH+]c(N4CCOCC4)c23)c1	in-vitro
N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1	ZINC000210747484	27/83/33/402278333	BHTWDJBVZQBRKP-UHFFFAOYSA-N	0	305.341	DE	2.333	0	Mild	ref	DEEARN	N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1	in-vitro