CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1	ZINC000000031349	67/96/74/395679674	MLBDVSSNNTVKSP-LBPRGKRZSA-N	-1	312.347	DC	0.883	0	Anodyne	ref	DCAARM	CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	in-vitro biogenic
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1	ZINC000000031351	67/96/58/395679658	MLBDVSSNNTVKSP-GFCCVEGCSA-N	-1	312.347	DC	0.883	0	Anodyne	ref	DCAARM	CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1	in-vitro biogenic
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1OC	ZINC000000037315	67/45/59/180674559	KXBVANCVBWUHCU-JTQLQIEISA-N	-1	315.347	DC	0.941	0	Anodyne	ref	DCAARM	COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1OC	 
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1OC	ZINC000000037316	67/96/76/395679676	KXBVANCVBWUHCU-SNVBAGLBSA-N	-1	315.347	DC	0.941	0	Anodyne	ref	DCAARM	COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC	 
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12	ZINC000000060430	12/46/02/415124602	ZCYFHIOHNFQBFX-QMMMGPOBSA-N	-1	313.36	DC	0.929	0	Anodyne	ref	DCAARM	O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12	 
O=C(O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12	ZINC000000060432	45/88/51/331458851	ZCYFHIOHNFQBFX-MRVPVSSYSA-N	-1	313.36	DC	0.929	0	Anodyne	ref	DCAARM	O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12	 
CN(C)S(=O)(=O)N1CCC(C(=O)O)(c2ccccc2)CC1	ZINC000000106659	12/45/06/415124506	PBFGMKHJOQPXCP-UHFFFAOYSA-N	-1	312.391	DC	0.911	0	Anodyne	ref	DCAARM	CN(C)S(=O)(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1	 
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000123585	67/98/54/395679854	NBPIPGHKYHUOGV-JTQLQIEISA-N	-1	300.292	DC	0.833	0	Bother	ref	DCBARM	O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	 
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O	ZINC000000167134	67/99/90/395679990	IJQQDWZRROHWPL-UHFFFAOYSA-N	-1	301.32	DC	0.414	0	Anodyne	ref	DCAARM	COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[O-]	 
COC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	ZINC000000379511	68/02/65/395680265	OYAMXRMIFWHTMW-UHFFFAOYSA-N	0	303.336	DC	0.643	0	Anodyne	ref	DCAARN	COC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	 
COC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	ZINC000000379922	68/03/46/395680346	NATDBDITJDBGGI-UHFFFAOYSA-N	0	303.336	DC	0.643	0	Anodyne	ref	DCAARN	COC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	 
COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000000477007	12/55/42/415125542	YCCDHGXRDGGQAW-UHFFFAOYSA-N	0	302.308	DC	0.842	0	Bother	ref	DCBARN	COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	 
COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)CCl	ZINC000000536500	68/05/34/395680534	WMSZAZJMNQNIFY-OPRDCNLKSA-N	0	302.758	DC	0.426	0	Anodyne	ref	DCAARN	COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)CCl	 
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000000582464	82/60/70/180826070	GNMKIWWVBIBGNX-UHFFFAOYSA-N	0	318.307	DC	0.542	0	Bother	ref	DCBARN	COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	 
CCOC(=O)[C@@H](CCCNC(=N)N)NC(=O)c1ccccc1	ZINC000001529252	87/15/78/180871578	YQDHCCVUYCIGSW-GFCCVEGCSA-N	1	306.366	DC	0.611	0	Anodyne	ref	DCAARO	CCOC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)c1ccccc1	in-vitro biogenic
CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O	ZINC000001530635	87/16/63/180871663	GGXKWVWZWMLJEH-UHFFFAOYSA-N	0	321.337	DC	0.541	0	Anodyne	ref	DCAARN	CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O	fda
CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1	ZINC000001540610	87/27/14/180872714	YQDHCCVUYCIGSW-LBPRGKRZSA-N	1	306.366	DC	0.611	0	Anodyne	ref	DCAARO	CCOC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccccc1	in-vitro biogenic
O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001782152	68/10/79/395681079	NBPIPGHKYHUOGV-SNVBAGLBSA-N	-1	300.292	DC	0.833	0	Bother	ref	DCBARM	O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	 
O=C(O)CCCNS(=O)(=O)c1cccc2nsnc12	ZINC000002065105	90/89/68/180908968	HEACSBBFPRPHOC-UHFFFAOYSA-N	-1	301.349	DC	0.834	0	Anodyne	ref	DCAARM	O=C([O-])CCCNS(=O)(=O)c1cccc2nsnc12	 
C[S@](=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O	ZINC000002875373	68/20/82/395682082	OHBLCPSPVBXNBB-XTZNXHDOSA-N	-1	305.377	DC	0.187	0	Anodyne	ref	DCAARM	C[S@](=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	 
C[S@](=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O	ZINC000002875374	96/58/62/180965862	OHBLCPSPVBXNBB-MLCYQJTMSA-N	-1	305.377	DC	0.187	0	Anodyne	ref	DCAARM	C[S@](=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	 
CCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)O)ccc21	ZINC000002928295	68/20/35/395682035	QIFWGMGTHOHGKO-UHFFFAOYSA-N	-1	312.347	DC	0.349	0	Anodyne	ref	DCAARM	CCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)[O-])ccc21	 
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)O)ccc21	ZINC000002928298	68/20/72/395682072	AUTZTZHBEWMTCY-UHFFFAOYSA-N	-1	312.347	DC	0.349	0	Anodyne	ref	DCAARM	CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)[O-])ccc21	 
O=C1CSC(=S)N1NC1=NS(=O)(=O)c2ccccc21	ZINC000003095329	68/22/83/395682283	LPTLUGFAYUQECV-UHFFFAOYSA-N	0	313.385	DC	0.5	0	Clean	ref	DCCARN	O=C1CSC(=S)N1NC1=NS(=O)(=O)c2ccccc21	 
O=C(O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003191629	68/22/40/395682240	HTUYDXHLCOKELV-UHFFFAOYSA-N	-1	301.32	DC	0.171	0	Anodyne	ref	DCAARM	O=C([O-])COc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(C)(=O)=O	ZINC000003612887	04/09/86/181040986	VWVSDQXAMIZDFN-UHFFFAOYSA-N	-1	304.28	DC	0.454	0	Bother	ref	DCBARM	COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(C)(=O)=O	 
CC(C)(C)NC(=O)CCN(N)C1=NS(=O)(=O)c2ccccc21	ZINC000003671133	04/41/58/181044158	GGBGKPSCTBHJSK-UHFFFAOYSA-N	0	324.406	DC	0.616	0	Anodyne	ref	DCAARN	CC(C)(C)NC(=O)CCN(N)C1=NS(=O)(=O)c2ccccc21	 
C[S@@](=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O	ZINC000004195890	08/36/76/181083676	OHBLCPSPVBXNBB-YPMLDQLKSA-N	-1	305.377	DC	0.187	0	Anodyne	ref	DCAARM	C[S@@](=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	 
C[S@@](=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O	ZINC000004195892	08/39/07/181083907	OHBLCPSPVBXNBB-MGNBDDOMSA-N	-1	305.377	DC	0.187	0	Anodyne	ref	DCAARM	C[S@@](=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	 
O=S(=O)(c1ccc(N2CCNCC2)cc1)N1CCOCC1	ZINC000004245556	12/75/83/415127583	GIVZANZYLOOCBE-UHFFFAOYSA-N	0	311.407	DC	0.117	3	Anodyne	high	DCAAHN	O=S(=O)(c1ccc(N2CCNCC2)cc1)N1CCOCC1	 
O=S(=O)(c1ccc(N2CCNCC2)cc1)N1CCOCC1	ZINC000004245556	12/75/48/415127548	GIVZANZYLOOCBE-UHFFFAOYSA-N	1	311.407	DC	0.117	0	Anodyne	ref	DCAARO	O=S(=O)(c1ccc(N2CC[NH2+]CC2)cc1)N1CCOCC1	 
O=C(O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004344167	48/57/62/331485762	XEKBNNVVCDSGBZ-SNVBAGLBSA-N	-1	300.292	DC	0.833	0	Bother	ref	DCBARM	O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	 
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004344169	13/04/35/415130435	XEKBNNVVCDSGBZ-JTQLQIEISA-N	-1	300.292	DC	0.833	0	Bother	ref	DCBARM	O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	 
O=C(O)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000004501910	11/59/12/181115912	HEXADDRAWPRQIP-UHFFFAOYSA-N	0	320.345	DC	0.924	2	Anodyne	low	DCAALN	O=C([O-])CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	 
O=C(O)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000004501910	11/59/11/181115911	HEXADDRAWPRQIP-UHFFFAOYSA-N	-1	320.345	DC	0.924	0	Anodyne	ref	DCAARM	O=C([O-])CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	 
O=C(c1ccc(N2CCNCC2)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000004687594	12/78/40/415127840	PLQKRKODRQRDGR-UHFFFAOYSA-N	0	320.349	DC	0.477	3	Bother	high	DCBAHN	O=C(c1ccc(N2CCNCC2)c([N+](=O)[O-])c1)N1CCOCC1	 
O=C(c1ccc(N2CCNCC2)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000004687594	12/78/29/415127829	PLQKRKODRQRDGR-UHFFFAOYSA-N	1	320.349	DC	0.477	0	Bother	ref	DCBARO	O=C(c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)N1CCOCC1	 
COC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000004703326	13/99/04/181139904	NPNMHVWNYVWURD-UHFFFAOYSA-N	0	301.32	DC	0.397	0	Anodyne	ref	DCAARN	COC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	 
CCOC(=O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	ZINC000004731369	14/37/61/181143761	ODFCMJFINVPRFA-UHFFFAOYSA-N	-2	312.303	DC	0.589	0	Clean	ref	DCCARL	CCOC(=O)c1cc(=O)n(-c2ccc(S(=O)(=O)[O-])cc2)[n-]1	 
CN(C)S(=O)(=O)c1ccc(NCCCC(=O)O)c(N)c1	ZINC000005319150	22/90/47/181229047	JVVJFZHMFOPCPY-UHFFFAOYSA-N	-1	301.368	DC	0.796	0	Anodyne	ref	DCAARM	CN(C)S(=O)(=O)c1ccc(NCCCC(=O)[O-])c(N)c1	 
O=C(O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1	ZINC000005995628	30/40/26/181304026	JDSKNNBTAUKETK-UHFFFAOYSA-N	-1	311.319	DC	0.708	0	Anodyne	ref	DCAARM	O=C([O-])C1CCN(S(=O)(=O)c2cccc3nonc23)CC1	 
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)O)C1	ZINC000006948307	68/31/43/395683143	CJYNCJMQAGDWKJ-JTQLQIEISA-N	-1	301.368	DC	0.522	0	Anodyne	ref	DCAARM	Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	 
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1	ZINC000006948312	68/30/38/395683038	CJYNCJMQAGDWKJ-SNVBAGLBSA-N	-1	301.368	DC	0.522	0	Anodyne	ref	DCAARM	Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	 
CN(C)C(=O)Cn1nc(Br)nc1Br	ZINC000008296457	54/47/80/181544780	WDMPMEACARKKGD-UHFFFAOYSA-N	0	311.965	DC	0.891	0	Anodyne	ref	DCAARN	CN(C)C(=O)Cn1nc(Br)nc1Br	 
O=C(O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000008765469	68/49/09/395684909	RKVIQLDRKRRNBM-VIFPVBQESA-N	-1	306.274	DC	0.7	0	Anodyne	ref	DCAARM	O=C([O-])CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	 
NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1	ZINC000009646647	68/54/21/395685421	PREFKDFRNVHQQN-UHFFFAOYSA-N	-1	312.347	DC	0.271	0	Anodyne	ref	DCAARM	NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1	 
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(N)cc2)CC1	ZINC000013944174	68/89/45/395688945	LQXVABVGWTUSGY-UHFFFAOYSA-N	0	313.379	DC	0.732	0	Anodyne	ref	DCAARN	CCOC(=O)N1CCN(S(=O)(=O)c2ccc(N)cc2)CC1	 
C[C@@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000019596694	13/29/78/182132978	IWZVKZFFBXLUEA-LLVKDONJSA-N	0	309.391	DC	0.134	0	Anodyne	ref	DCAARN	C[C@@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	 
C[C@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000019596695	13/31/80/182133180	IWZVKZFFBXLUEA-NSHDSACASA-N	0	309.391	DC	0.134	0	Anodyne	ref	DCAARN	C[C@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	 
COc1ccc(OC)c(N([C@@H](C)C(=O)O)S(C)(=O)=O)c1	ZINC000020130930	19/02/82/182190282	CPLHGEULSFFPJK-QMMMGPOBSA-N	-1	303.336	DC	0.943	0	Anodyne	ref	DCAARM	COc1ccc(OC)c(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)c1	 
COc1ccc(OC)c(N([C@H](C)C(=O)O)S(C)(=O)=O)c1	ZINC000020130934	18/98/47/182189847	CPLHGEULSFFPJK-MRVPVSSYSA-N	-1	303.336	DC	0.943	0	Anodyne	ref	DCAARM	COc1ccc(OC)c(N([C@H](C)C(=O)[O-])S(C)(=O)=O)c1	 
O=C(CN1CCNCC1)Nc1ccc(Cn2cncn2)cc1	ZINC000020134818	19/05/28/182190528	IZISZYFQEZNJPI-UHFFFAOYSA-N	0	300.366	DC	0.17	3	Anodyne	high	DCAAHN	O=C(CN1CCNCC1)Nc1ccc(Cn2cncn2)cc1	 
O=C(CN1CCNCC1)Nc1ccc(Cn2cncn2)cc1	ZINC000020134818	19/05/25/182190525	IZISZYFQEZNJPI-UHFFFAOYSA-N	1	300.366	DC	0.17	0	Anodyne	ref	DCAARO	O=C(CN1CC[NH2+]CC1)Nc1ccc(Cn2cncn2)cc1	 
COc1ccc(S(=O)(=O)NCCc2nnc(N)s2)cc1	ZINC000020201312	19/70/29/182197029	WYAVPGJJTHVQRA-UHFFFAOYSA-N	0	314.392	DC	0.65	0	Anodyne	ref	DCAARN	COc1ccc(S(=O)(=O)NCCc2nnc(N)s2)cc1	 
Nc1nnc(CCNS(=O)(=O)c2ccc(F)cc2)s1	ZINC000020201335	19/67/43/182196743	FYTCPTRMIRDIAO-UHFFFAOYSA-N	0	302.356	DC	0.78	0	Anodyne	ref	DCAARN	Nc1nnc(CCNS(=O)(=O)c2ccc(F)cc2)s1	 
CCS(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCCO2	ZINC000020231575	19/94/84/182199484	SZSFRMRAZQCBKP-UHFFFAOYSA-N	-1	301.32	DC	0.698	0	Anodyne	ref	DCAARM	CCS(=O)(=O)N(CC(=O)[O-])c1ccc2c(c1)OCCO2	 
O=C(O)CCCN1CCN(Cc2ccc(F)cc2)C(=O)C1=O	ZINC000021155058	26/72/81/182267281	KBADOJXKZPBCKX-UHFFFAOYSA-N	-1	308.309	DC	0.861	0	Anodyne	ref	DCAARM	O=C([O-])CCCN1CCN(Cc2ccc(F)cc2)C(=O)C1=O	 
Nc1cc(S(=O)(=O)N2CCCC2)ccc1NCCC(=O)O	ZINC000021155140	49/41/97/303494197	GHMXBTIEEKGTIX-UHFFFAOYSA-N	-1	313.379	DC	0.94	0	Anodyne	ref	DCAARM	Nc1cc(S(=O)(=O)N2CCCC2)ccc1NCCC(=O)[O-]	 
COc1ccc2[nH]cc(CCNC(=O)CN3CCNCC3)c2c1	ZINC000023292101	35/65/00/182356500	WSAXYDDBRZVMGT-UHFFFAOYSA-N	0	316.405	DC	0.74	3	Anodyne	high	DCAAHN	COc1ccc2[nH]cc(CCNC(=O)CN3CCNCC3)c2c1	 
COc1ccc2[nH]cc(CCNC(=O)CN3CCNCC3)c2c1	ZINC000023292101	35/64/99/182356499	WSAXYDDBRZVMGT-UHFFFAOYSA-N	1	316.405	DC	0.74	0	Anodyne	ref	DCAARO	COc1ccc2[nH]cc(CCNC(=O)CN3CC[NH2+]CC3)c2c1	 
COc1cc(NC(=O)CN2CCNCC2)cc(OC)c1OC	ZINC000023292106	35/64/60/182356460	XFZCLBMMZFSKJT-UHFFFAOYSA-N	0	309.366	DC	0.556	3	Anodyne	high	DCAAHN	COc1cc(NC(=O)CN2CCNCC2)cc(OC)c1OC	 
COc1cc(NC(=O)CN2CCNCC2)cc(OC)c1OC	ZINC000023292106	35/64/57/182356457	XFZCLBMMZFSKJT-UHFFFAOYSA-N	1	309.366	DC	0.556	0	Anodyne	ref	DCAARO	COc1cc(NC(=O)CN2CC[NH2+]CC2)cc(OC)c1OC	 
O=C(Nn1cc(C(=O)O)c2ccccc2c1=O)c1cnccn1	ZINC000032916842	71/47/32/395714732	QBWSJKJWNDZSLU-UHFFFAOYSA-N	-2	310.269	DC	0.874	0	Anodyne	ref	DCAARL	O=C([N-]n1cc(C(=O)[O-])c2ccccc2c1=O)c1cnccn1	 
CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)O)C(=O)CO2	ZINC000032918674	71/46/47/395714647	BVRJBGLRUJZORH-UHFFFAOYSA-N	-1	306.318	DC	0.979	0	Anodyne	ref	DCAARM	CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)CO2	 
O=C(O)CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21	ZINC000032918680	06/70/13/304067013	YPLPSVIVSXZIOW-UHFFFAOYSA-N	-1	304.302	DC	0.733	0	Anodyne	ref	DCAARM	O=C([O-])CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21	 
CN1CCN(c2ccc(N3CCC[C@@H](C(=O)O)C3)nn2)CC1	ZINC000032918891	05/81/84/290058184	ZBFFJMBFCYICDH-GFCCVEGCSA-N	-1	305.382	DC	0.529	1	Anodyne	mid	DCAAMM	CN1CCN(c2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)CC1	 
CN1CCN(c2ccc(N3CCC[C@@H](C(=O)O)C3)nn2)CC1	ZINC000032918891	05/81/76/290058176	ZBFFJMBFCYICDH-GFCCVEGCSA-N	0	305.382	DC	0.529	0	Anodyne	ref	DCAARN	C[NH+]1CCN(c2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)CC1	 
CN1CCN(c2ccc(N3CCC[C@H](C(=O)O)C3)nn2)CC1	ZINC000032918893	42/22/85/536422285	ZBFFJMBFCYICDH-LBPRGKRZSA-N	-1	305.382	DC	0.529	1	Anodyne	mid	DCAAMM	CN1CCN(c2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)CC1	 
CN1CCN(c2ccc(N3CCC[C@H](C(=O)O)C3)nn2)CC1	ZINC000032918893	42/22/77/536422277	ZBFFJMBFCYICDH-LBPRGKRZSA-N	0	305.382	DC	0.529	0	Anodyne	ref	DCAARN	C[NH+]1CCN(c2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)CC1	 
CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1CCN(c2ncccn2)CC1	ZINC000034926334	46/48/02/281464802	RTOGGNKEKCMWCV-WDEREUQCSA-N	-1	304.35	DC	0.482	0	Anodyne	ref	DCAARM	CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)N1CCN(c2ncccn2)CC1	 
CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1CCN(c2ncccn2)CC1	ZINC000034926335	71/84/49/395718449	RTOGGNKEKCMWCV-GHMZBOCLSA-N	-1	304.35	DC	0.482	0	Anodyne	ref	DCAARM	CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ncccn2)CC1	 
CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCN(c2ncccn2)CC1	ZINC000034926336	71/87/00/395718700	RTOGGNKEKCMWCV-QWRGUYRKSA-N	-1	304.35	DC	0.482	0	Anodyne	ref	DCAARM	CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(c2ncccn2)CC1	 
CC1(C)[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]1C(=O)O	ZINC000034926337	18/71/99/415187199	RTOGGNKEKCMWCV-MNOVXSKESA-N	-1	304.35	DC	0.482	0	Anodyne	ref	DCAARM	CC1(C)[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]1C(=O)[O-]	 
CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000034926437	74/45/41/182744541	KBGMSXKDTQTSFZ-NWDGAFQWSA-N	-1	320.345	DC	0.921	0	Anodyne	ref	DCAARM	CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1	 
CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000034926438	71/86/74/395718674	KBGMSXKDTQTSFZ-VXGBXAGGSA-N	-1	320.345	DC	0.921	0	Anodyne	ref	DCAARM	CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1	 
CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000034926439	71/84/21/395718421	KBGMSXKDTQTSFZ-RYUDHWBXSA-N	-1	320.345	DC	0.921	0	Anodyne	ref	DCAARM	CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1	 
CC1(C)[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1C(=O)O	ZINC000034926440	74/47/92/182744792	KBGMSXKDTQTSFZ-NEPJUHHUSA-N	-1	320.345	DC	0.921	0	Anodyne	ref	DCAARM	CC1(C)[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1C(=O)[O-]	 
COc1ccc(N(CC(=O)O)CC(=O)NC[C@@H]2CCCO2)cc1	ZINC000034926458	74/46/51/182744651	GOPGIXQBYMXCIQ-AWEZNQCLSA-N	-1	322.361	DC	0.881	0	Clean	ref	DCCARM	COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H]2CCCO2)cc1	 
COc1ccc(N(CC(=O)O)CC(=O)NC[C@H]2CCCO2)cc1	ZINC000034926459	71/86/91/395718691	GOPGIXQBYMXCIQ-CQSZACIVSA-N	-1	322.361	DC	0.881	0	Clean	ref	DCCARM	COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H]2CCCO2)cc1	 
COc1ccc(N(CC(=O)O)CC(=O)N2CCN(C)CC2)cc1	ZINC000034926535	71/86/09/395718609	GAPYBWBEYPSKGF-UHFFFAOYSA-N	0	321.377	DC	0.36	1	Clean	mid	DCCAMN	COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[NH+](C)CC2)cc1	 
COc1ccc(N(CC(=O)O)CC(=O)N2CCN(C)CC2)cc1	ZINC000034926535	71/86/06/395718606	GAPYBWBEYPSKGF-UHFFFAOYSA-N	-1	321.377	DC	0.36	0	Clean	ref	DCCARM	COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(C)CC2)cc1	 
COc1ccc(N(CC(=O)O)CC(=O)N2CCOCC2)cc1	ZINC000034926552	74/45/24/182744524	SQJOXSRVXIFWNQ-UHFFFAOYSA-N	-1	308.334	DC	0.445	0	Clean	ref	DCCARM	COc1ccc(N(CC(=O)[O-])CC(=O)N2CCOCC2)cc1	 
CC(=O)N1CCN(C(=O)CN(CC(=O)O)c2ccccc2)CC1	ZINC000034926587	74/45/66/182744566	SDSJCPJPCXJVQK-UHFFFAOYSA-N	-1	319.361	DC	0.268	0	Anodyne	ref	DCAARM	CC(=O)N1CCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1	 
NC(=O)C1CCN(C(=O)CN(CC(=O)O)c2ccccc2)CC1	ZINC000034926604	74/46/09/182744609	ZEQCSOVTCGLKRT-UHFFFAOYSA-N	-1	319.361	DC	0.302	0	Anodyne	ref	DCAARM	NC(=O)C1CCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1	 
NC(=O)[C@H]1CCCN(C(=O)CN(CC(=O)O)c2ccccc2)C1	ZINC000034926605	74/46/93/182744693	WELJMXFWOODALI-LBPRGKRZSA-N	-1	319.361	DC	0.302	0	Anodyne	ref	DCAARM	NC(=O)[C@H]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)C1	 
NC(=O)[C@@H]1CCCN(C(=O)CN(CC(=O)O)c2ccccc2)C1	ZINC000034926606	74/46/11/182744611	WELJMXFWOODALI-GFCCVEGCSA-N	-1	319.361	DC	0.302	0	Anodyne	ref	DCAARM	NC(=O)[C@@H]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)C1	 
CN1CCCN(C(=O)CN(CC(=O)O)c2ccccc2)CC1	ZINC000034926618	18/42/21/415184221	VOTIOZDNOYDOCG-UHFFFAOYSA-N	-1	305.378	DC	0.742	3	Anodyne	high	DCAAHM	CN1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1	 
CN1CCCN(C(=O)CN(CC(=O)O)c2ccccc2)CC1	ZINC000034926618	18/42/14/415184214	VOTIOZDNOYDOCG-UHFFFAOYSA-N	0	305.378	DC	0.742	1	Anodyne	mid	DCAAMN	C[N@H+]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1	 
CN1CCCN(C(=O)CN(CC(=O)O)c2ccccc2)CC1	ZINC000034926618	18/41/92/415184192	VOTIOZDNOYDOCG-UHFFFAOYSA-N	0	305.378	DC	0.742	0	Anodyne	ref	DCAARN	C[N@@H+]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1	 
O=C(O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000036601272	72/38/77/395723877	RKVIQLDRKRRNBM-SECBINFHSA-N	-1	306.274	DC	0.7	0	Anodyne	ref	DCAARM	O=C([O-])CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	 
CCN1CCN(c2ncc(N3CCC(C(=O)O)CC3)cn2)CC1	ZINC000045796049	76/65/56/395766556	DMCGNBAIRHKSKZ-UHFFFAOYSA-N	-1	319.409	DC	0.919	1	Anodyne	mid	DCAAMM	CCN1CCN(c2ncc(N3CCC(C(=O)[O-])CC3)cn2)CC1	 
CCN1CCN(c2ncc(N3CCC(C(=O)O)CC3)cn2)CC1	ZINC000045796049	76/65/52/395766552	DMCGNBAIRHKSKZ-UHFFFAOYSA-N	0	319.409	DC	0.919	0	Anodyne	ref	DCAARN	CC[NH+]1CCN(c2ncc(N3CCC(C(=O)[O-])CC3)cn2)CC1	 
CCc1nc(-c2nn(-c3ccc(F)cc3)c(=O)[nH]c2=O)no1	ZINC000045796102	26/99/57/257269957	AOMBFROUARXRIB-UHFFFAOYSA-N	0	303.253	DC	0.672	2	Anodyne	low	DCAALN	CCc1nc(-c2nn(-c3ccc(F)cc3)c(=O)[nH]c2=O)no1	 
CCc1nc(-c2nn(-c3ccc(F)cc3)c(=O)[nH]c2=O)no1	ZINC000045796102	26/99/56/257269956	AOMBFROUARXRIB-UHFFFAOYSA-N	0	303.253	DC	0.672	0	Anodyne	ref	DCAARN	CCc1nc(-c2nn(-c3ccc(F)cc3)c(=O)[n-]c2=O)no1	 
O=C(O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1F	ZINC000045796113	26/99/59/257269959	BQHVAVXPWVYGMK-UHFFFAOYSA-N	-1	307.274	DC	0.684	0	Anodyne	ref	DCAARM	O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1F	 
CC(C)NS(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1	ZINC000045796260	25/24/61/415252461	ZEEXHTKBGOXIFC-UHFFFAOYSA-N	-1	310.331	DC	0.913	0	Anodyne	ref	DCAARM	CC(C)NS(=O)(=O)c1ccc2ncc(C(=O)[O-])c(O)c2c1	 
COCc1nn2c(=O)cc(CSCC(=O)O)nc2s1	ZINC000045951725	76/89/79/395768979	HHAVKWOOEQQCFH-UHFFFAOYSA-N	-1	301.349	DC	0.615	0	Anodyne	ref	DCAARM	COCc1nn2c(=O)cc(CSCC(=O)[O-])nc2s1	 
CNCCc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1	ZINC000066323479	35/44/74/415354474	CHOUSRKHZQVEJB-UHFFFAOYSA-N	1	304.306	DC	0.49	0	Anodyne	ref	DCAARO	C[NH2+]CCc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1	 
CCN1CCN(c2ncc(C(=O)CC(=O)OC)c(C)n2)CC1	ZINC000072406610	15/30/42/191153042	WQOCDMLKQGRJCC-UHFFFAOYSA-N	-1	306.366	DC	0.673	1	Anodyne	mid	DCAAMM	CCN1CCN(c2ncc(C([O-])=CC(=O)OC)c(C)n2)CC1	 
CCN1CCN(c2ncc(C(=O)CC(=O)OC)c(C)n2)CC1	ZINC000072406610	15/30/39/191153039	WQOCDMLKQGRJCC-UHFFFAOYSA-N	0	306.366	DC	0.673	0	Anodyne	ref	DCAARN	CC[NH+]1CCN(c2ncc(C([O-])=CC(=O)OC)c(C)n2)CC1