Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000000031348	69/95/34/181699534	WEHVQIQNGXWTME-UHFFFAOYSA-N	0	206.245	BC	0.741	0	Anodyne	ref	BCAARN	Nc1ccc(C(=O)N2CCOCC2)cc1	in-vitro
O=C(O)c1ccccc1C(=O)N1CCOCC1	ZINC000000038650	67/06/46/342670646	QXNQMHHGQWNYFY-UHFFFAOYSA-N	-1	235.239	BC	0.857	0	Anodyne	ref	BCAARM	O=C([O-])c1ccccc1C(=O)N1CCOCC1	 
CN1CCN(C(=O)c2ccccc2N)CC1	ZINC000000045771	07/29/72/173072972	PEIXOOFVMXCCCT-UHFFFAOYSA-N	1	219.288	BC	0.656	1	Anodyne	mid	BCAAMO	C[NH+]1CCN(C(=O)c2ccccc2N)CC1	 
CN1CCN(C(=O)c2ccccc2N)CC1	ZINC000000045771	07/29/69/173072969	PEIXOOFVMXCCCT-UHFFFAOYSA-N	0	219.288	BC	0.656	0	Anodyne	ref	BCAARN	CN1CCN(C(=O)c2ccccc2N)CC1	 
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	ZINC000000057001	67/20/04/342672004	FAKRSMQSSFJEIM-RQJHMYQMSA-N	-1	217.29	BC	0.628	0	Mild	ref	BCEARM	C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-]	fda
Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000128959	67/61/48/342676148	FTKHPQFFQRKOJC-UHFFFAOYSA-N	0	242.3	BC	0.29	0	Anodyne	ref	BCAARN	Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
Nc1ccccc1C(=O)N1CCOCC1	ZINC000000134248	75/25/65/181752565	LFLIOZKEABTZIF-UHFFFAOYSA-N	0	206.245	BC	0.741	0	Anodyne	ref	BCAARN	Nc1ccccc1C(=O)N1CCOCC1	 
CC(=O)N[C@@H](Cc1ccccc1)C(=O)O	ZINC000000135391	83/22/68/383832268	CBQJSKKFNMDLON-JTQLQIEISA-N	-1	207.229	BC	0.818	0	Anodyne	ref	BCAARM	CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	world endogenous
CC(=O)N[C@H](Cc1ccccc1)C(=O)O	ZINC000000135392	09/91/16/188099116	CBQJSKKFNMDLON-SNVBAGLBSA-N	-1	207.229	BC	0.818	0	Anodyne	ref	BCAARM	CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	in-man endogenous
CN(C)S(=O)(=O)c1ccc(N)cc1	ZINC000000167758	67/90/53/342679053	BABGMPQXLCJMSK-UHFFFAOYSA-N	0	200.263	BC	0.519	0	Anodyne	ref	BCAARN	CN(C)S(=O)(=O)c1ccc(N)cc1	 
CC(C)NS(=O)(=O)c1ccc(N)cc1	ZINC000000359206	12/92/68/167129268	QYCULOSSKUXFNP-UHFFFAOYSA-N	0	214.29	BC	0.956	0	Anodyne	ref	BCAARN	CC(C)NS(=O)(=O)c1ccc(N)cc1	 
N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O	ZINC000000895330	69/44/31/342694431	LDCYZAJDBXYCGN-VIFPVBQESA-N	0	220.228	BC	0.828	0	Anodyne	ref	BCAARN	[NH3+][C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-]	world endogenous
N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O	ZINC000000895459	69/45/13/342694513	LDCYZAJDBXYCGN-SECBINFHSA-N	0	220.228	BC	0.828	0	Anodyne	ref	BCAARN	[NH3+][C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-]	in-man endogenous
O=C(O)C[C@@H]1C(=O)NCCN1C1CCCC1	ZINC000001236666	89/05/52/383890552	KNWYOLQFIYDLLL-SECBINFHSA-N	-1	226.276	BC	0.204	1	Anodyne	mid	BCAAMM	O=C([O-])C[C@@H]1C(=O)NCCN1C1CCCC1	 
O=C(O)C[C@@H]1C(=O)NCCN1C1CCCC1	ZINC000001236666	89/05/46/383890546	KNWYOLQFIYDLLL-SECBINFHSA-N	0	226.276	BC	0.204	1	Anodyne	mid	BCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1	 
O=C(O)C[C@@H]1C(=O)NCCN1C1CCCC1	ZINC000001236666	89/05/25/383890525	KNWYOLQFIYDLLL-SECBINFHSA-N	0	226.276	BC	0.204	0	Anodyne	ref	BCAARN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1	 
O=C(O)C[C@H]1C(=O)NCCN1C1CCCC1	ZINC000001236668	89/17/07/383891707	KNWYOLQFIYDLLL-VIFPVBQESA-N	-1	226.276	BC	0.204	1	Anodyne	mid	BCAAMM	O=C([O-])C[C@H]1C(=O)NCCN1C1CCCC1	 
O=C(O)C[C@H]1C(=O)NCCN1C1CCCC1	ZINC000001236668	89/17/04/383891704	KNWYOLQFIYDLLL-VIFPVBQESA-N	0	226.276	BC	0.204	1	Anodyne	mid	BCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1C1CCCC1	 
O=C(O)C[C@H]1C(=O)NCCN1C1CCCC1	ZINC000001236668	89/16/98/383891698	KNWYOLQFIYDLLL-VIFPVBQESA-N	0	226.276	BC	0.204	0	Anodyne	ref	BCAARN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1	 
O=C(NCCO[N+](=O)[O-])c1cccnc1	ZINC000001533102	19/83/43/182198343	LBHIOVVIQHSOQN-UHFFFAOYSA-N	0	211.177	BC	0.02	0	Anodyne	ref	BCAARN	O=C(NCCO[N+](=O)[O-])c1cccnc1	world
CCOC(=O)C[C@@H](C(C)=O)C(=O)OCC	ZINC000001555373	23/04/25/170230425	DVSDDICSXBCMQJ-QMMMGPOBSA-N	0	216.233	BC	0.708	0	Anodyne	ref	BCAARN	CCOC(=O)C[C@@H](C(C)=O)C(=O)OCC	 
CCOC(=O)C(OC(C)=O)C(=O)OCC	ZINC000001621953	18/89/18/170188918	XZFLUEMBCUUTKI-UHFFFAOYSA-N	0	218.205	BC	0.044	2	Anodyne	low	BCAALN	CCOC(=O)C(OC(C)=O)C(=O)OCC	 
CN(C)c1ccc(C[C@@H](N)C(=O)O)cc1	ZINC000001675144	70/83/09/342708309	USEYFCOAPFGKLX-SNVBAGLBSA-N	0	208.261	BC	0.707	0	Anodyne	ref	BCAARN	CN(C)c1ccc(C[C@@H]([NH3+])C(=O)[O-])cc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccco1	ZINC000001926681	94/08/57/383940857	YDJCMWZZRHTEMF-SECBINFHSA-N	-1	238.243	BC	0.055	0	Anodyne	ref	BCAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccco1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccco1	ZINC000001926683	94/04/69/383940469	YDJCMWZZRHTEMF-VIFPVBQESA-N	-1	238.243	BC	0.055	0	Anodyne	ref	BCAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccco1	 
CCOC(=O)C[C@H](C(C)=O)C(=O)OCC	ZINC000002015888	23/26/84/170232684	DVSDDICSXBCMQJ-MRVPVSSYSA-N	0	216.233	BC	0.708	0	Anodyne	ref	BCAARN	CCOC(=O)C[C@H](C(C)=O)C(=O)OCC	 
CN(C)c1ccc(C[C@H](N)C(=O)O)cc1	ZINC000002047928	71/55/57/342715557	USEYFCOAPFGKLX-JTQLQIEISA-N	0	208.261	BC	0.707	0	Anodyne	ref	BCAARN	CN(C)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1	in-vitro
O=S(=O)(O)C[C@@H](O)CNC1CCCCC1	ZINC000002168583	71/65/01/342716501	INEWUCPYEUEQTN-VIFPVBQESA-N	0	237.321	BC	0.157	0	Anodyne	ref	BCAARN	O=S(=O)([O-])C[C@@H](O)C[NH2+]C1CCCCC1	in-vitro
O=S(=O)(O)C[C@H](O)CNC1CCCCC1	ZINC000002168584	90/25/57/182902557	INEWUCPYEUEQTN-SECBINFHSA-N	0	237.321	BC	0.157	0	Anodyne	ref	BCAARN	O=S(=O)([O-])C[C@H](O)C[NH2+]C1CCCCC1	in-vitro
CCCNS(=O)(=O)c1ccc(N)cc1	ZINC000002589895	27/27/60/169272760	PEDHCXVSNZZLSR-UHFFFAOYSA-N	0	214.29	BC	0.957	0	Anodyne	ref	BCAARN	CCCNS(=O)(=O)c1ccc(N)cc1	 
COC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000002795897	72/72/02/342727202	JQWKTXIPRZXRJP-UHFFFAOYSA-N	0	230.245	BC	0.512	0	Anodyne	ref	BCAARN	COC(=O)Nc1ccc(S(N)(=O)=O)cc1	 
COCCNC(=O)[C@H]1CCCC[C@H]1C(=O)O	ZINC000002890701	32/78/16/174327816	HAMXRIRCNKNLTR-DTWKUNHWSA-N	-1	229.276	BC	0.64	0	Anodyne	ref	BCAARM	COCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	 
COCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)O	ZINC000002890703	32/69/05/174326905	HAMXRIRCNKNLTR-RKDXNWHRSA-N	-1	229.276	BC	0.64	0	Anodyne	ref	BCAARM	COCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	 
COCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)O	ZINC000002890705	32/75/65/174327565	HAMXRIRCNKNLTR-IUCAKERBSA-N	-1	229.276	BC	0.64	0	Anodyne	ref	BCAARM	COCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	 
COCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O	ZINC000002890707	32/66/19/174326619	HAMXRIRCNKNLTR-BDAKNGLRSA-N	-1	229.276	BC	0.64	0	Anodyne	ref	BCAARM	COCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	 
Nc1cccc(C(=O)N2CCOCC2)c1	ZINC000003111380	74/13/79/181741379	RFFVEVKGZGRRCP-UHFFFAOYSA-N	0	206.245	BC	0.741	0	Anodyne	ref	BCAARN	Nc1cccc(C(=O)N2CCOCC2)c1	 
O=C(O)COc1ccccc1OCC(=O)O	ZINC000003894527	03/38/61/384033861	PPZYHOQWRAUWAY-UHFFFAOYSA-N	-2	226.184	BC	0.613	0	Anodyne	ref	BCAARL	O=C([O-])COc1ccccc1OCC(=O)[O-]	 
C=CCNS(=O)(=O)c1ccc(N)cc1	ZINC000004137014	04/22/11/384042211	ZAYPEKUIXUZNDI-UHFFFAOYSA-N	0	212.274	BC	0.733	0	Mild	ref	BCEARN	C=CCNS(=O)(=O)c1ccc(N)cc1	 
C/C(O)=N/S(=O)(=O)c1ccc(N)cc1	ZINC000005179119	27/76/11/188277611	SKIVFJLNDNKQPD-UHFFFAOYSA-N	-1	214.246	BC	0.934	0	Mild	ref	BCEARM	CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	fda
CN1CCN(C(=O)c2cccc(N)c2)CC1	ZINC000012138672	07/30/13/173073013	ZULOTYWZYPALJU-UHFFFAOYSA-N	1	219.288	BC	0.656	1	Anodyne	mid	BCAAMO	C[NH+]1CCN(C(=O)c2cccc(N)c2)CC1	 
CN1CCN(C(=O)c2cccc(N)c2)CC1	ZINC000012138672	07/30/09/173073009	ZULOTYWZYPALJU-UHFFFAOYSA-N	0	219.288	BC	0.656	0	Anodyne	ref	BCAARN	CN1CCN(C(=O)c2cccc(N)c2)CC1	 
CC(C)CCOC(=O)C[C@H]1NCCNC1=O	ZINC000012403754	31/85/66/384318566	OUOFXRBOCHZNSL-SECBINFHSA-N	1	228.292	BC	0.054	2	Anodyne	low	BCAALO	CC(C)CCOC(=O)C[C@H]1[NH2+]CCNC1=O	 
CC(C)CCOC(=O)C[C@H]1NCCNC1=O	ZINC000012403754	31/85/59/384318559	OUOFXRBOCHZNSL-SECBINFHSA-N	0	228.292	BC	0.054	0	Anodyne	ref	BCAARN	CC(C)CCOC(=O)C[C@H]1NCCNC1=O	 
CC(C)CCOC(=O)C[C@@H]1NCCNC1=O	ZINC000012403755	31/96/50/384319650	OUOFXRBOCHZNSL-VIFPVBQESA-N	1	228.292	BC	0.054	2	Anodyne	low	BCAALO	CC(C)CCOC(=O)C[C@@H]1[NH2+]CCNC1=O	 
CC(C)CCOC(=O)C[C@@H]1NCCNC1=O	ZINC000012403755	31/96/46/384319646	OUOFXRBOCHZNSL-VIFPVBQESA-N	0	228.292	BC	0.054	0	Anodyne	ref	BCAARN	CC(C)CCOC(=O)C[C@@H]1NCCNC1=O	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccccc1	ZINC000016475592	46/00/57/384460057	LLZQBDMIRUNSAB-NSHDSACASA-N	0	248.282	BC	0.462	1	Anodyne	mid	BCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccccc1	ZINC000016475592	46/00/52/384460052	LLZQBDMIRUNSAB-NSHDSACASA-N	0	248.282	BC	0.462	1	Anodyne	mid	BCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccccc1	ZINC000016475592	46/00/47/384460047	LLZQBDMIRUNSAB-NSHDSACASA-N	-1	248.282	BC	0.462	0	Anodyne	ref	BCAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccccc1	ZINC000016475594	45/92/21/384459221	LLZQBDMIRUNSAB-LLVKDONJSA-N	0	248.282	BC	0.462	1	Anodyne	mid	BCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccccc1	ZINC000016475594	45/92/17/384459217	LLZQBDMIRUNSAB-LLVKDONJSA-N	0	248.282	BC	0.462	1	Anodyne	mid	BCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccccc1	ZINC000016475594	45/92/09/384459209	LLZQBDMIRUNSAB-LLVKDONJSA-N	-1	248.282	BC	0.462	0	Anodyne	ref	BCAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccccc1	 
OCC[C@@H]1CNCCN1Cc1ccccc1F	ZINC000019367992	09/59/37/183095937	ARVYERXWXRSNMI-GFCCVEGCSA-N	1	238.306	BC	0.982	0	Anodyne	ref	BCAARO	OCC[C@@H]1C[NH2+]CCN1Cc1ccccc1F	 
OCC[C@H]1CNCCN1Cc1ccccc1F	ZINC000019367993	09/82/95/183098295	ARVYERXWXRSNMI-LBPRGKRZSA-N	1	238.306	BC	0.982	0	Anodyne	ref	BCAARO	OCC[C@H]1C[NH2+]CCN1Cc1ccccc1F	 
OCC[C@@H]1CNCCN1Cc1ccco1	ZINC000019368011	09/43/39/183094339	MWAOUUWANIYOFF-SNVBAGLBSA-N	1	210.277	BC	0.436	0	Anodyne	ref	BCAARO	OCC[C@@H]1C[NH2+]CCN1Cc1ccco1	 
OCC[C@H]1CNCCN1Cc1ccco1	ZINC000019368012	09/83/45/183098345	MWAOUUWANIYOFF-JTQLQIEISA-N	1	210.277	BC	0.436	0	Anodyne	ref	BCAARO	OCC[C@H]1C[NH2+]CCN1Cc1ccco1	 
O=C(c1ccccc1)N1CCN(CCO)CC1	ZINC000019597500	95/18/68/342951868	DBMBIBSNWGXLHE-UHFFFAOYSA-N	1	234.299	BC	0.437	2	Anodyne	low	BCAALO	O=C(c1ccccc1)N1CC[NH+](CCO)CC1	 
O=C(c1ccccc1)N1CCN(CCO)CC1	ZINC000019597500	95/18/63/342951863	DBMBIBSNWGXLHE-UHFFFAOYSA-N	0	234.299	BC	0.437	0	Anodyne	ref	BCAARN	O=C(c1ccccc1)N1CCN(CCO)CC1	 
Cc1ccc(CN2CCNC[C@@H]2CCO)o1	ZINC000019626494	95/23/88/342952388	YZNRNRPOGGRSQJ-NSHDSACASA-N	1	224.304	BC	0.744	0	Anodyne	ref	BCAARO	Cc1ccc(CN2CC[NH2+]C[C@@H]2CCO)o1	 
Cc1ccc(CN2CCNC[C@H]2CCO)o1	ZINC000019626498	95/22/01/342952201	YZNRNRPOGGRSQJ-LLVKDONJSA-N	1	224.304	BC	0.744	0	Anodyne	ref	BCAARO	Cc1ccc(CN2CC[NH2+]C[C@H]2CCO)o1	 
OC[C@@H]1CCCC[C@@H]1CN1CCNCC1	ZINC000019735890	11/55/39/183115539	YYEKXUHZBSLXAK-NEPJUHHUSA-N	1	212.337	BC	0.69	1	Anodyne	mid	BCAAMO	OC[C@@H]1CCCC[C@@H]1C[NH+]1CCNCC1	 
OC[C@@H]1CCCC[C@@H]1CN1CCNCC1	ZINC000019735890	11/55/33/183115533	YYEKXUHZBSLXAK-NEPJUHHUSA-N	1	212.337	BC	0.69	0	Anodyne	ref	BCAARO	OC[C@@H]1CCCC[C@@H]1CN1CC[NH2+]CC1	 
OC[C@H]1CCCC[C@@H]1CN1CCNCC1	ZINC000019735891	14/89/12/183148912	YYEKXUHZBSLXAK-VXGBXAGGSA-N	1	212.337	BC	0.69	1	Anodyne	mid	BCAAMO	OC[C@H]1CCCC[C@@H]1C[NH+]1CCNCC1	 
OC[C@H]1CCCC[C@@H]1CN1CCNCC1	ZINC000019735891	14/89/09/183148909	YYEKXUHZBSLXAK-VXGBXAGGSA-N	1	212.337	BC	0.69	0	Anodyne	ref	BCAARO	OC[C@H]1CCCC[C@@H]1CN1CC[NH2+]CC1	 
OC[C@@H]1CCCC[C@H]1CN1CCNCC1	ZINC000019735892	11/79/33/183117933	YYEKXUHZBSLXAK-RYUDHWBXSA-N	1	212.337	BC	0.69	1	Anodyne	mid	BCAAMO	OC[C@@H]1CCCC[C@H]1C[NH+]1CCNCC1	 
OC[C@@H]1CCCC[C@H]1CN1CCNCC1	ZINC000019735892	11/79/30/183117930	YYEKXUHZBSLXAK-RYUDHWBXSA-N	1	212.337	BC	0.69	0	Anodyne	ref	BCAARO	OC[C@@H]1CCCC[C@H]1CN1CC[NH2+]CC1	 
OC[C@H]1CCCC[C@H]1CN1CCNCC1	ZINC000019735893	14/86/05/183148605	YYEKXUHZBSLXAK-NWDGAFQWSA-N	1	212.337	BC	0.69	1	Anodyne	mid	BCAAMO	OC[C@H]1CCCC[C@H]1C[NH+]1CCNCC1	 
OC[C@H]1CCCC[C@H]1CN1CCNCC1	ZINC000019735893	14/86/04/183148604	YYEKXUHZBSLXAK-NWDGAFQWSA-N	1	212.337	BC	0.69	0	Anodyne	ref	BCAARO	OC[C@H]1CCCC[C@H]1CN1CC[NH2+]CC1	 
CCCCCOC(=O)C[C@H]1NCCNC1=O	ZINC000035826264	30/48/14/343304814	XUGUYYKMUXRLGH-SECBINFHSA-N	1	228.292	BC	0.198	2	Anodyne	low	BCAALO	CCCCCOC(=O)C[C@H]1[NH2+]CCNC1=O	 
CCCCCOC(=O)C[C@H]1NCCNC1=O	ZINC000035826264	30/48/11/343304811	XUGUYYKMUXRLGH-SECBINFHSA-N	0	228.292	BC	0.198	0	Anodyne	ref	BCAARN	CCCCCOC(=O)C[C@H]1NCCNC1=O	 
CCCCCOC(=O)C[C@@H]1NCCNC1=O	ZINC000035826265	30/49/94/343304994	XUGUYYKMUXRLGH-VIFPVBQESA-N	1	228.292	BC	0.198	2	Anodyne	low	BCAALO	CCCCCOC(=O)C[C@@H]1[NH2+]CCNC1=O	 
CCCCCOC(=O)C[C@@H]1NCCNC1=O	ZINC000035826265	30/49/93/343304993	XUGUYYKMUXRLGH-VIFPVBQESA-N	0	228.292	BC	0.198	0	Anodyne	ref	BCAARN	CCCCCOC(=O)C[C@@H]1NCCNC1=O	 
O=C(C[C@H]1NCCNC1=O)OC1CCCCC1	ZINC000035907749	03/21/17/182032117	PMWYCHQEJICOSL-SNVBAGLBSA-N	1	240.303	BC	0.34	2	Anodyne	low	BCAALO	O=C(C[C@H]1[NH2+]CCNC1=O)OC1CCCCC1	 
O=C(C[C@H]1NCCNC1=O)OC1CCCCC1	ZINC000035907749	03/21/15/182032115	PMWYCHQEJICOSL-SNVBAGLBSA-N	0	240.303	BC	0.34	0	Anodyne	ref	BCAARN	O=C(C[C@H]1NCCNC1=O)OC1CCCCC1	 
O=C(C[C@@H]1NCCNC1=O)OC1CCCCC1	ZINC000035907750	02/38/90/182023890	PMWYCHQEJICOSL-JTQLQIEISA-N	1	240.303	BC	0.34	2	Anodyne	low	BCAALO	O=C(C[C@@H]1[NH2+]CCNC1=O)OC1CCCCC1	 
O=C(C[C@@H]1NCCNC1=O)OC1CCCCC1	ZINC000035907750	02/38/83/182023883	PMWYCHQEJICOSL-JTQLQIEISA-N	0	240.303	BC	0.34	0	Anodyne	ref	BCAARN	O=C(C[C@@H]1NCCNC1=O)OC1CCCCC1	 
O=C(C[C@H]1NCCNC1=O)OCc1ccccc1	ZINC000036105465	03/18/98/182031898	CTQHHKCTNDZTQH-LLVKDONJSA-N	1	248.282	BC	0.208	2	Anodyne	low	BCAALO	O=C(C[C@H]1[NH2+]CCNC1=O)OCc1ccccc1	 
O=C(C[C@H]1NCCNC1=O)OCc1ccccc1	ZINC000036105465	03/18/96/182031896	CTQHHKCTNDZTQH-LLVKDONJSA-N	0	248.282	BC	0.208	0	Anodyne	ref	BCAARN	O=C(C[C@H]1NCCNC1=O)OCc1ccccc1	 
O=C(C[C@@H]1NCCNC1=O)OCc1ccccc1	ZINC000036105468	02/37/16/182023716	CTQHHKCTNDZTQH-NSHDSACASA-N	1	248.282	BC	0.208	2	Anodyne	low	BCAALO	O=C(C[C@@H]1[NH2+]CCNC1=O)OCc1ccccc1	 
O=C(C[C@@H]1NCCNC1=O)OCc1ccccc1	ZINC000036105468	02/37/09/182023709	CTQHHKCTNDZTQH-NSHDSACASA-N	0	248.282	BC	0.208	0	Anodyne	ref	BCAARN	O=C(C[C@@H]1NCCNC1=O)OCc1ccccc1	 
OCC[C@H]1CNCCN1Cc1cccs1	ZINC000038534371	09/82/51/183098251	WQVGIZGOKJMFRN-JTQLQIEISA-N	1	226.345	BC	0.904	0	Anodyne	ref	BCAARO	OCC[C@H]1C[NH2+]CCN1Cc1cccs1	 
OCC[C@@H]1CNCCN1Cc1cccs1	ZINC000038534373	09/48/37/183094837	WQVGIZGOKJMFRN-SNVBAGLBSA-N	1	226.345	BC	0.904	0	Anodyne	ref	BCAARO	OCC[C@@H]1C[NH2+]CCN1Cc1cccs1	 
O=C(CN1CCCCC1)NC[C@@H]1CCCO1	ZINC000041362321	41/93/60/343419360	PFHMALZCPUGTCX-NSHDSACASA-N	0	226.32	BC	0.767	1	Anodyne	mid	BCAAMN	O=C(CN1CCCCC1)NC[C@@H]1CCCO1	 
O=C(CN1CCCCC1)NC[C@@H]1CCCO1	ZINC000041362321	41/93/54/343419354	PFHMALZCPUGTCX-NSHDSACASA-N	0	226.32	BC	0.767	0	Anodyne	ref	BCAARN	O=C(C[NH+]1CCCCC1)NC[C@@H]1CCCO1	 
O=C(CN1CCCCC1)NC[C@H]1CCCO1	ZINC000041362323	41/95/56/343419556	PFHMALZCPUGTCX-LLVKDONJSA-N	0	226.32	BC	0.767	1	Anodyne	mid	BCAAMN	O=C(CN1CCCCC1)NC[C@H]1CCCO1	 
O=C(CN1CCCCC1)NC[C@H]1CCCO1	ZINC000041362323	41/95/54/343419554	PFHMALZCPUGTCX-LLVKDONJSA-N	0	226.32	BC	0.767	0	Anodyne	ref	BCAARN	O=C(C[NH+]1CCCCC1)NC[C@H]1CCCO1	 
OCC[C@H]1CNCCN1C1CCCCC1	ZINC000066054486	09/82/09/183098209	KXGXHRWDZAWKPR-LBPRGKRZSA-N	1	212.337	BC	0.975	1	Anodyne	mid	BCAAMO	OCC[C@H]1CNCC[N@H+]1C1CCCCC1	 
OCC[C@H]1CNCCN1C1CCCCC1	ZINC000066054486	09/82/07/183098207	KXGXHRWDZAWKPR-LBPRGKRZSA-N	1	212.337	BC	0.975	0	Anodyne	ref	BCAARO	OCC[C@H]1CNCC[N@@H+]1C1CCCCC1	 
OCC[C@@H]1CNCCN1C1CCCCC1	ZINC000066054487	09/55/91/183095591	KXGXHRWDZAWKPR-GFCCVEGCSA-N	1	212.337	BC	0.975	1	Anodyne	mid	BCAAMO	OCC[C@@H]1CNCC[N@H+]1C1CCCCC1	 
OCC[C@@H]1CNCCN1C1CCCCC1	ZINC000066054487	09/55/83/183095583	KXGXHRWDZAWKPR-GFCCVEGCSA-N	1	212.337	BC	0.975	0	Anodyne	ref	BCAARO	OCC[C@@H]1CNCC[N@@H+]1C1CCCCC1	 
OCC[C@H]1CNCCN1Cc1ccccc1	ZINC000066275278	09/86/38/183098638	TZGZJNYRHVQXOG-ZDUSSCGKSA-N	1	220.316	BC	0.843	0	Anodyne	ref	BCAARO	OCC[C@H]1C[NH2+]CCN1Cc1ccccc1	 
OCC[C@@H]1CNCCN1Cc1ccccc1	ZINC000066275279	09/54/40/183095440	TZGZJNYRHVQXOG-CYBMUJFWSA-N	1	220.316	BC	0.843	0	Anodyne	ref	BCAARO	OCC[C@@H]1C[NH2+]CCN1Cc1ccccc1	 
OCC[C@H]1CNCCN1Cc1ccc(F)cc1	ZINC000066323396	09/89/26/183098926	ALOVAKZCROKJLI-ZDUSSCGKSA-N	1	238.306	BC	0.982	0	Anodyne	ref	BCAARO	OCC[C@H]1C[NH2+]CCN1Cc1ccc(F)cc1	 
OCC[C@@H]1CNCCN1Cc1ccc(F)cc1	ZINC000066323397	09/44/44/183094444	ALOVAKZCROKJLI-CYBMUJFWSA-N	1	238.306	BC	0.982	0	Anodyne	ref	BCAARO	OCC[C@@H]1C[NH2+]CCN1Cc1ccc(F)cc1	 
CC1(C)CC(NCCC(N)=O)CC(C)(C)N1	ZINC000085207972	92/87/56/384928756	AJBCWPUPQMRABB-UHFFFAOYSA-N	1	227.352	BC	0.761	3	Anodyne	high	BCAAHO	CC1(C)CC(NCCC(N)=O)CC(C)(C)[NH2+]1	 
CC1(C)CC(NCCC(N)=O)CC(C)(C)N1	ZINC000085207972	92/87/47/384928747	AJBCWPUPQMRABB-UHFFFAOYSA-N	2	227.352	BC	0.761	0	Anodyne	ref	BCAARP	CC1(C)CC([NH2+]CCC(N)=O)CC(C)(C)[NH2+]1	 
CN1C(=O)/C(=N\NC(N)=S)c2ccccc21	ZINC000100011971	60/89/13/384608913	DLGSOJOOYHWROO-WQLSENKSSA-N	0	234.284	BC	0.2	0	Mild	ref	BCEARN	CN1C(=O)/C(=N\NC(N)=S)c2ccccc21	in-man