Cn1c(=O)c2c(nc(Br)n2CCSc2ncccn2)n(C)c1=O	ZINC000001242820	89/98/99/203899899	FMCLRLBGHRLAME-UHFFFAOYSA-N	0	397.258	GC	0.778	0	Anodyne	ref	GCAARN	Cn1c(=O)c2c(nc(Br)n2CCSc2ncccn2)n(C)c1=O	 
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1ncccn1	ZINC000001250997	31/77/33/209317733	NANRDHMGNGOEQN-UHFFFAOYSA-N	0	383.231	GC	0.768	0	Anodyne	ref	GCAARN	Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1ncccn1	 
O=C(Cc1csc2nc3sc4c(c3c(=O)n12)CCC4)N(CCO)CCO	ZINC000001802986	25/71/17/212257117	CHDFONMPGVJAAL-UHFFFAOYSA-N	0	393.49	GC	0.815	0	Anodyne	ref	GCAARN	O=C(Cc1csc2nc3sc4c(c3c(=O)n12)CCC4)N(CCO)CCO	 
CCOC(=O)c1nnn(-c2nonc2N)c1CN1C(=O)c2ccccc2C1=O	ZINC000002545764	29/02/70/570290270	ZKFYGSQWMXHPHD-UHFFFAOYSA-N	0	383.324	GC	0.205	0	Anodyne	ref	GCAARN	CCOC(=O)c1nnn(-c2nonc2N)c1CN1C(=O)c2ccccc2C1=O	 
O=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O	ZINC000003861001	45/70/22/209457022	PWIGYBONXWGOQE-UHFFFAOYSA-N	-2	385.328	GC	0.844	2	Clean	low	GCCALL	O=C([O-])CN(CC(=O)[O-])Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O	in-vitro biogenic
O=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O	ZINC000003861001	45/70/16/209457016	PWIGYBONXWGOQE-UHFFFAOYSA-N	-3	385.328	GC	0.844	0	Clean	ref	GCCARL	O=C([O-])CN(CC(=O)[O-])Cc1cc2c(c(O)c1[O-])C(=O)c1ccccc1C2=O	in-vitro biogenic
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCN(c2ccccn2)CC1	ZINC000004342519	36/98/71/570369871	ZZRWCLRMRIFVSD-UHFFFAOYSA-N	0	399.415	GC	0.126	0	Anodyne	ref	GCAARN	CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCN(c2ccccn2)CC1	 
Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2Cl)n(C)c1=O	ZINC000004815853	40/80/14/570408014	PDZWWGBRZISNRL-UHFFFAOYSA-N	0	388.859	GC	0.545	3	Anodyne	high	GCAAHN	Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2Cl)n(C)c1=O	in-vitro
Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2Cl)n(C)c1=O	ZINC000004815853	40/80/12/570408012	PDZWWGBRZISNRL-UHFFFAOYSA-N	1	388.859	GC	0.545	0	Anodyne	ref	GCAARO	Cn1c(=O)c2c(nc(N3CC[NH2+]CC3)n2Cc2ccccc2Cl)n(C)c1=O	in-vitro
COC(=O)[C@](O)(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F	ZINC000006658120	48/62/77/570486277	IDUBLFJPIBNCBG-CQSZACIVSA-N	-1	389.286	GC	0.039	3	Anodyne	high	GCAAHM	COC(=O)[C@]([O-])(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F	 
COC(=O)[C@](O)(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F	ZINC000006658120	48/62/75/570486275	IDUBLFJPIBNCBG-CQSZACIVSA-N	0	389.286	GC	0.039	0	Anodyne	ref	GCAARN	COC(=O)[C@](O)(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F	 
COC(=O)[C@@](O)(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F	ZINC000006658121	18/91/06/204189106	IDUBLFJPIBNCBG-AWEZNQCLSA-N	-1	389.286	GC	0.039	3	Anodyne	high	GCAAHM	COC(=O)[C@@]([O-])(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F	 
COC(=O)[C@@](O)(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F	ZINC000006658121	18/91/00/204189100	IDUBLFJPIBNCBG-AWEZNQCLSA-N	0	389.286	GC	0.039	0	Anodyne	ref	GCAARN	COC(=O)[C@@](O)(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F	 
COC(=O)[C@@](O)(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F	ZINC000006658122	18/95/63/204189563	UKHSMYGFJPGCOX-ZDUSSCGKSA-N	-1	377.25	GC	0.17	3	Anodyne	high	GCAAHM	COC(=O)[C@@]([O-])(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F	 
COC(=O)[C@@](O)(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F	ZINC000006658122	18/95/60/204189560	UKHSMYGFJPGCOX-ZDUSSCGKSA-N	0	377.25	GC	0.17	0	Anodyne	ref	GCAARN	COC(=O)[C@@](O)(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F	 
COC(=O)[C@](O)(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F	ZINC000006658123	48/60/75/570486075	UKHSMYGFJPGCOX-CYBMUJFWSA-N	-1	377.25	GC	0.17	3	Anodyne	high	GCAAHM	COC(=O)[C@]([O-])(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F	 
COC(=O)[C@](O)(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F	ZINC000006658123	48/60/45/570486045	UKHSMYGFJPGCOX-CYBMUJFWSA-N	0	377.25	GC	0.17	0	Anodyne	ref	GCAARN	COC(=O)[C@](O)(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F	 
COC(=O)[C@@H]1O[C@H](Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000006821683	10/09/12/291100912	GWTNLHGTLIBHHZ-ZIQFBCGOSA-N	0	397.174	GC	0.074	0	Reactive	ref	GCGBRN	COC(=O)[C@@H]1O[C@H](Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	 
COC(=O)[C@@H]1O[C@@H](Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000006821694	10/09/20/291100920	GWTNLHGTLIBHHZ-RMPHRYRLSA-N	0	397.174	GC	0.074	0	Reactive	ref	GCGBRN	COC(=O)[C@@H]1O[C@@H](Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	 
O=C(O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1	ZINC000012137036	37/36/47/204373647	QYSWBUUPPFQFFZ-HNNXBMFYSA-N	-1	376.409	GC	0.744	0	Anodyne	ref	GCAARM	O=C([O-])CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1	 
O=C(O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1	ZINC000012137037	37/37/56/204373756	QYSWBUUPPFQFFZ-OAHLLOKOSA-N	-1	376.409	GC	0.744	0	Anodyne	ref	GCAARM	O=C([O-])CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1	 
O=C(O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1	ZINC000012137199	37/42/83/204374283	NIZRZGBEEUPSAH-HNNXBMFYSA-N	-1	392.408	GC	0.581	0	Anodyne	ref	GCAARM	O=C([O-])CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1	 
O=C(O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1	ZINC000012137200	86/10/00/206861000	NIZRZGBEEUPSAH-OAHLLOKOSA-N	-1	392.408	GC	0.581	0	Anodyne	ref	GCAARM	O=C([O-])CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1	 
COC(=O)c1[nH]nc(Sc2nnc(Cn3ccc(C)n3)n2C)c1[N+](=O)[O-]	ZINC000015932762	35/29/94/221352994	GAXVVIRESLNVAG-UHFFFAOYSA-N	0	378.374	GC	0.937	2	Bother	low	GCBALN	COC(=O)c1[nH]nc(Sc2nnc(Cn3ccc(C)n3)n2C)c1[N+](=O)[O-]	 
COC(=O)c1[nH]nc(Sc2nnc(Cn3ccc(C)n3)n2C)c1[N+](=O)[O-]	ZINC000015932762	35/29/90/221352990	GAXVVIRESLNVAG-UHFFFAOYSA-N	-1	378.374	GC	0.937	1	Bother	mid	GCBAMM	COC(=O)c1[n-]nc(Sc2nnc(Cn3ccc(C)n3)n2C)c1[N+](=O)[O-]	 
COC(=O)c1[nH]nc(Sc2nnc(Cn3ccc(C)n3)n2C)c1[N+](=O)[O-]	ZINC000015932762	35/29/88/221352988	GAXVVIRESLNVAG-UHFFFAOYSA-N	-1	378.374	GC	0.937	1	Bother	mid	GCBAMM	COC(=O)c1n[n-]c(Sc2nnc(Cn3ccc(C)n3)n2C)c1[N+](=O)[O-]	 
COC(=O)c1[nH]nc(Sc2nnc(Cn3ccc(C)n3)n2C)c1[N+](=O)[O-]	ZINC000015932762	35/29/85/221352985	GAXVVIRESLNVAG-UHFFFAOYSA-N	0	378.374	GC	0.937	0	Bother	ref	GCBARN	COC(=O)c1n[nH]c(Sc2nnc(Cn3ccc(C)n3)n2C)c1[N+](=O)[O-]	 
Cc1sc2[nH]c(SCC(=O)N3CCN(CCO)CC3)nc(=O)c2c1C	ZINC000019791125	29/49/43/210294943	FPIMAZZKTLCEPA-UHFFFAOYSA-N	0	382.511	GC	0.83	0	Anodyne	ref	GCAARN	Cc1sc2[nH]c(SCC(=O)N3CCN(CCO)CC3)nc(=O)c2c1C	 
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCC[C@@H](C(=O)OCC)C1	ZINC000019798192	29/83/25/210298325	XDWORRVVGZJWQT-SNVBAGLBSA-N	0	393.404	GC	0.184	0	Anodyne	ref	GCAARN	CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCC[C@@H](C(=O)OCC)C1	 
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCC[C@H](C(=O)OCC)C1	ZINC000019798194	45/42/99/221454299	XDWORRVVGZJWQT-JTQLQIEISA-N	0	393.404	GC	0.184	0	Anodyne	ref	GCAARN	CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCC[C@H](C(=O)OCC)C1	 
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCN(c2ccccc2)CC1	ZINC000019938729	30/92/91/210309291	YBUGVXQMJFRLRU-UHFFFAOYSA-N	0	398.427	GC	0.731	0	Anodyne	ref	GCAARN	CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCN(c2ccccc2)CC1	 
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C(=O)OCC)CC1	ZINC000054954691	14/16/85/205141685	YBOGKFPDZGDFCG-UHFFFAOYSA-N	0	393.404	GC	0.184	0	Anodyne	ref	GCAARN	CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C(=O)OCC)CC1	 
COc1ccc(N2CCN(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)CC2)cc1	ZINC000056918224	44/80/16/132448016	WILVAFPPCXBQGR-UHFFFAOYSA-N	0	384.44	GC	0.291	0	Clean	ref	GCCARN	COc1ccc(N2CCN(Cc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)CC2)cc1	 
Cn1c(=O)c2[nH]c(CN3CCN(c4cccc(Cl)c4)CC3)nc2n(C)c1=O	ZINC000095618539	18/25/14/136182514	RGKDMNBGGAQUGW-UHFFFAOYSA-N	0	388.859	GC	0.936	0	Anodyne	ref	GCAARN	Cn1c(=O)c2nc(CN3CCN(c4cccc(Cl)c4)CC3)[nH]c2n(C)c1=O