COc1ccc(CCNC(=O)c2nonc2N)cc1OC	ZINC000000053518	93/73/69/347937369	MOHCMZUBRWEQII-UHFFFAOYSA-N	0	292.295	CC	0.641	0	Anodyne	ref	CCAARN	COc1ccc(CCNC(=O)c2nonc2N)cc1OC	 
Cc1c(C(=O)OC(C)(C)C)nnn1-c1nonc1N	ZINC000000062815	93/82/57/347938257	GLKVKXXLWPVOFX-UHFFFAOYSA-N	0	266.261	CC	0.496	0	Anodyne	ref	CCAARN	Cc1c(C(=O)OC(C)(C)C)nnn1-c1nonc1N	 
Cc1c(C(=O)N2CCCCC2)nnn1-c1nonc1N	ZINC000000076604	93/82/23/347938223	AVDUKLGJQCTQRY-UHFFFAOYSA-N	0	277.288	CC	0.167	0	Anodyne	ref	CCAARN	Cc1c(C(=O)N2CCCCC2)nnn1-c1nonc1N	 
O=C(O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	ZINC000000113117	54/03/79/169540379	QPPHUXXOFJHSIQ-VIFPVBQESA-N	-1	263.249	CC	0.848	0	Anodyne	ref	CCAARM	O=C([O-])[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	 
O=C(O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	ZINC000000113119	54/01/78/169540178	QPPHUXXOFJHSIQ-SECBINFHSA-N	-1	263.249	CC	0.848	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	 
O=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000000175723	94/06/78/347940678	VEVGTTUIMHJYSO-UHFFFAOYSA-N	-1	250.166	CC	0.275	0	Bother	ref	CCBARM	O=C([O-])CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	 
C[S@](=O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000309036	75/31/20/388753120	QYXFLPXRIFFGJI-WVDJIFEKSA-N	-1	295.316	CC	0.504	0	Anodyne	ref	CCAARM	C[S@](=O)CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	 
C[S@](=O)CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000309038	94/41/86/347944186	QYXFLPXRIFFGJI-CFMSYZGJSA-N	-1	295.316	CC	0.504	0	Anodyne	ref	CCAARM	C[S@](=O)CC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	 
Cc1nc(N2CCOCC2)nc(N2CCOCC2)c1C=O	ZINC000000327568	94/51/23/347945123	VUSNYCUWGWMOJQ-UHFFFAOYSA-N	1	292.339	CC	0.271	2	Anodyne	low	CCAALO	Cc1[nH+]c(N2CCOCC2)nc(N2CCOCC2)c1C=O	 
Cc1nc(N2CCOCC2)nc(N2CCOCC2)c1C=O	ZINC000000327568	94/51/17/347945117	VUSNYCUWGWMOJQ-UHFFFAOYSA-N	0	292.339	CC	0.271	0	Anodyne	ref	CCAARN	Cc1nc(N2CCOCC2)nc(N2CCOCC2)c1C=O	 
COC(=O)C[C@@H](NCc1ccccc1O)C(=O)O	ZINC000000330297	60/89/77/169608977	MGKIFNXJFGCNGY-SECBINFHSA-N	-1	253.254	CC	0.498	3	Clean	high	CCCAHM	COC(=O)C[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-]	 
COC(=O)C[C@@H](NCc1ccccc1O)C(=O)O	ZINC000000330297	60/89/76/169608976	MGKIFNXJFGCNGY-SECBINFHSA-N	0	253.254	CC	0.498	0	Clean	ref	CCCARN	COC(=O)C[C@@H]([NH2+]Cc1ccccc1O)C(=O)[O-]	 
CCn1c(=O)[nH]c(Nc2ccccc2)c(NC=O)c1=O	ZINC000000330343	94/52/56/347945256	NIWANEXLAQIHKP-UHFFFAOYSA-N	0	274.28	CC	0.868	0	Anodyne	ref	CCAARN	CCn1c(=O)[nH]c(Nc2ccccc2)c(NC=O)c1=O	 
Cn1c(=O)[nH]c(NCc2ccccc2)c(NC=O)c1=O	ZINC000000330348	94/52/65/347945265	DLMFYJGIONIUGO-UHFFFAOYSA-N	0	274.28	CC	0.254	0	Anodyne	ref	CCAARN	Cn1c(=O)[nH]c(NCc2ccccc2)c(NC=O)c1=O	 
CN(C=O)c1c(NCc2ccccc2)[nH]c(=O)n(C)c1=O	ZINC000000330351	60/89/07/169608907	FTNDYUJIAQWNKB-UHFFFAOYSA-N	0	288.307	CC	0.278	0	Anodyne	ref	CCAARN	CN(C=O)c1c(NCc2ccccc2)[nH]c(=O)n(C)c1=O	 
CCOC(=O)c1c(NC(=S)NC)nc(C)n1C	ZINC000000330571	75/36/43/388753643	XKCBHTFWEDMWMH-UHFFFAOYSA-N	0	256.331	CC	0.821	0	Anodyne	ref	CCAARN	CCOC(=O)c1c(NC(=S)NC)nc(C)n1C	 
Ic1ccnc(N2CCOCC2)n1	ZINC000000331097	94/47/78/347944778	HRVDEVXJLNBVAU-UHFFFAOYSA-N	0	291.092	CC	0.918	0	Anodyne	ref	CCAARN	Ic1ccnc(N2CCOCC2)n1	 
NC(=O)c1nc(-c2ccc(Cl)cc2)c[n+]([O-])c1N	ZINC000000331306	94/46/82/347944682	INSMGIHJYHREFN-UHFFFAOYSA-N	0	264.672	CC	0.717	0	Anodyne	ref	CCAARN	NC(=O)c1nc(-c2ccc(Cl)cc2)c[n+]([O-])c1N	 
COc1ccc(-c2c[n+]([O-])c(N)c(C(N)=O)n2)cc1	ZINC000000331406	26/35/11/286263511	CVTPFFKXFIKHSM-UHFFFAOYSA-N	0	260.253	CC	0.072	0	Anodyne	ref	CCAARN	COc1ccc(-c2c[n+]([O-])c(N)c(C(N)=O)n2)cc1	 
Cc1c[n+]([O-])c(N)c(C(=O)OCc2ccccc2)n1	ZINC000000331430	94/50/70/347945070	LCHRUGHJCNZXCM-UHFFFAOYSA-N	0	259.265	CC	0.963	0	Anodyne	ref	CCAARN	Cc1c[n+]([O-])c(N)c(C(=O)OCc2ccccc2)n1	 
CCOC(=O)c1nc(-c2ccc(O)cc2)c[n+]([O-])c1N	ZINC000000331431	94/51/93/347945193	XFXZIAMPQKXZGK-UHFFFAOYSA-N	0	275.264	CC	0.847	0	Anodyne	ref	CCAARN	CCOC(=O)c1nc(-c2ccc(O)cc2)c[n+]([O-])c1N	 
Cc1c(Cl)cccc1N/N=C(\C#N)C(=O)NN	ZINC000000333095	85/32/83/264853283	LSYQJLYTCLSCFI-CXUHLZMHSA-N	0	251.677	CC	0.93	0	Reactive	ref	CCGARN	Cc1c(Cl)cccc1NN=C(C#N)C(=O)NN	 
Cc1cccn2c(=O)c(C=O)c(N3CCOCC3)nc12	ZINC000000333572	96/90/64/278969064	OSOUUKBRQBNQAC-UHFFFAOYSA-N	0	273.292	CC	0.652	0	Anodyne	ref	CCAARN	Cc1cccn2c(=O)c(C=O)c(N3CCOCC3)nc12	 
O=c1[nH]cc(-c2cccc(Br)n2)c(=O)[nH]1	ZINC000000334551	52/56/06/296525606	NEMNPKYHIHTMIW-UHFFFAOYSA-N	-1	268.07	CC	0.888	3	Anodyne	high	CCAAHM	O=c1[n-]c(=O)c(-c2cccc(Br)n2)c[nH]1	 
O=c1[nH]cc(-c2cccc(Br)n2)c(=O)[nH]1	ZINC000000334551	52/56/05/296525605	NEMNPKYHIHTMIW-UHFFFAOYSA-N	0	268.07	CC	0.888	0	Anodyne	ref	CCAARN	O=c1[nH]cc(-c2cccc(Br)n2)c(=O)[nH]1	 
NS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)nc1	ZINC000000335061	61/01/00/169610100	KHCMJVYVNAVKCU-UHFFFAOYSA-N	0	298.345	CC	0.562	0	Anodyne	ref	CCAARN	NS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)nc1	 
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)no1	ZINC000000335538	34/37/64/301343764	RCRBLLBFYVWIES-ZRPKBAQZSA-N	-1	276.248	CC	0.354	0	Anodyne	ref	CCAARM	Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)no1	 
COC(=O)[C@H]1[C@H](C(=O)OC)N(C=O)c2ccccc2N1C	ZINC000000336328	75/35/43/388753543	FXVLSRCLJNYAFQ-VXGBXAGGSA-N	0	292.291	CC	0.182	0	Anodyne	ref	CCAARN	COC(=O)[C@H]1[C@H](C(=O)OC)N(C=O)c2ccccc2N1C	 
CO/C=C(/C(=O)OC)N1C(=O)c2ccccc2C1=O	ZINC000000336457	61/04/45/169610445	SXSCCUJVAHQRHP-YFHOEESVSA-N	0	261.233	CC	0.943	0	Anodyne	ref	CCAARN	CO/C=C(/C(=O)OC)N1C(=O)c2ccccc2C1=O	 
O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@@H]13)O2	ZINC000000488850	94/91/19/347949119	YOOFQLMTHFOERW-DYNIEEOBSA-N	-1	275.26	CC	0.646	0	Anodyne	ref	CCAARM	O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@@H]13)O2	 
O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@@H]13)O2	ZINC000000539385	21/01/89/304210189	SZDGAPWYJPRMQH-DYNIEEOBSA-N	-1	263.293	CC	0.796	0	Anodyne	ref	CCAARM	O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@@H]13)O2	 
CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O	ZINC000001645561	95/86/52/347958652	ZMIXTWOFJGXDND-UHFFFAOYSA-N	-2	275.355	CC	0.081	3	Anodyne	high	CCAAHL	CCN(CC)C(=S)Sc1c([O-])[nH]c(=O)[n-]c1=O	 
CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O	ZINC000001645561	95/86/50/347958650	ZMIXTWOFJGXDND-UHFFFAOYSA-N	0	275.355	CC	0.081	2	Anodyne	low	CCAALN	CCN(CC)C(=S)Sc1c(O)[nH]c(=O)[nH]c1=O	 
CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O	ZINC000001645561	95/86/48/347958648	ZMIXTWOFJGXDND-UHFFFAOYSA-N	-1	275.355	CC	0.081	0	Anodyne	ref	CCAARM	CCN(CC)C(=S)Sc1c([O-])[nH]c(=O)[nH]c1=O	 
Nc1ncc(S(=O)(=O)O)cc1Br	ZINC000001792791	96/25/29/347962529	AQPIHLQSXPSMHZ-UHFFFAOYSA-N	-1	253.077	CC	0.673	0	Anodyne	ref	CCAARM	Nc1ncc(S(=O)(=O)[O-])cc1Br	in-vitro
CC(=O)N/C(=C/c1ccccc1)C(=O)NCCCO	ZINC000002025090	76/92/61/169769261	AQXHLSSDBOSEJX-JLHYYAGUSA-N	0	262.309	CC	0.662	0	Anodyne	ref	CCAARN	CC(=O)N/C(=C/c1ccccc1)C(=O)NCCCO	 
O=C(O)CSc1nsc(SCC(=O)O)n1	ZINC000002025582	96/42/26/347964226	ZFCPCFWCBDYWAI-UHFFFAOYSA-N	-2	266.325	CC	0.891	0	Anodyne	ref	CCAARL	O=C([O-])CSc1nsc(SCC(=O)[O-])n1	 
COc1ccc(NC(=O)C(=O)NCCCO)cc1	ZINC000002025848	96/36/20/347963620	CYUVYWKAJZZHFH-UHFFFAOYSA-N	0	252.27	CC	0.132	0	Anodyne	ref	CCAARN	COc1ccc(NC(=O)C(=O)NCCCO)cc1	 
O=C(NCCCO)C(=O)Nc1cccc(Cl)c1	ZINC000002025866	96/37/68/347963768	SVBZBGUZQQNLRT-UHFFFAOYSA-N	0	256.689	CC	0.777	0	Anodyne	ref	CCAARN	O=C(NCCCO)C(=O)Nc1cccc(Cl)c1	 
COc1ccc(NC(=O)C(=O)NCCCO)c(OC)c1	ZINC000002025905	96/50/06/347965006	PWRYTHDMJCNFBH-UHFFFAOYSA-N	0	282.296	CC	0.141	0	Anodyne	ref	CCAARN	COc1ccc(NC(=O)C(=O)NCCCO)c(OC)c1	 
COc1ccc(Cl)cc1NC(=O)C(=O)NCCCO	ZINC000002025960	96/47/89/347964789	IRJYSJUGXCSQAF-UHFFFAOYSA-N	0	286.715	CC	0.786	0	Anodyne	ref	CCAARN	COc1ccc(Cl)cc1NC(=O)C(=O)NCCCO	 
CCCCS(=O)(=O)c1ccc(S(N)(=O)=O)cn1	ZINC000002027600	96/50/94/347965094	DWSRZPNRAIEUIN-UHFFFAOYSA-N	0	278.355	CC	0.303	0	Anodyne	ref	CCAARN	CCCCS(=O)(=O)c1ccc(S(N)(=O)=O)cn1	 
CC(=O)NCCSC(=O)SCCNC(C)=O	ZINC000002027654	96/51/08/347965108	CQYJXQSXKJOYKM-UHFFFAOYSA-N	0	264.372	CC	0.845	0	Anodyne	ref	CCAARN	CC(=O)NCCSC(=O)SCCNC(C)=O	 
CCOC(=O)C(C(=O)OCC)c1ncccc1C(=O)O	ZINC000002028699	76/94/10/169769410	OESRPSAOYLNTCR-UHFFFAOYSA-N	-1	281.264	CC	0.99	0	Anodyne	ref	CCAARM	CCOC(=O)C(C(=O)OCC)c1ncccc1C(=O)[O-]	 
CCCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)O)[C@@H]3C1=O	ZINC000002145595	75/55/70/388755570	NDFHHBIZCGCWAK-XHSYRHOGSA-N	-1	251.282	CC	0.653	0	Anodyne	ref	CCAARM	CCCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	 
COc1cc(S(N)(=O)=O)cc(C(=O)O)c1OC	ZINC000002244036	78/31/63/169783163	YEVQOPOKMKTXMD-UHFFFAOYSA-N	-1	261.255	CC	0.049	0	Anodyne	ref	CCAARM	COc1cc(S(N)(=O)=O)cc(C(=O)[O-])c1OC	 
COC(=O)[C@@H]1[C@H](C(=O)OC)N(C=O)c2ccccc2N1C	ZINC000002506037	95/24/46/291952446	FXVLSRCLJNYAFQ-NWDGAFQWSA-N	0	292.291	CC	0.182	0	Anodyne	ref	CCAARN	COC(=O)[C@@H]1[C@H](C(=O)OC)N(C=O)c2ccccc2N1C	 
Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)no1	ZINC000002545023	34/48/10/301344810	RCRBLLBFYVWIES-OIORRXCASA-N	-1	276.248	CC	0.354	0	Anodyne	ref	CCAARM	Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)no1	 
COC(=O)C[C@H](NCc1ccccc1O)C(=O)O	ZINC000002548410	96/91/10/347969110	MGKIFNXJFGCNGY-VIFPVBQESA-N	-1	253.254	CC	0.498	3	Clean	high	CCCAHM	COC(=O)C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-]	 
COC(=O)C[C@H](NCc1ccccc1O)C(=O)O	ZINC000002548410	96/91/08/347969108	MGKIFNXJFGCNGY-VIFPVBQESA-N	0	253.254	CC	0.498	0	Clean	ref	CCCARN	COC(=O)C[C@H]([NH2+]Cc1ccccc1O)C(=O)[O-]	 
Cc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)O)cc1	ZINC000002598890	96/97/54/347969754	PCZMDMOEFYSSGY-SNVBAGLBSA-N	-1	255.295	CC	0.843	0	Anodyne	ref	CCAARM	Cc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)[O-])cc1	 
CCNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003383608	98/20/31/347982031	KWFNDXVFKXJJJN-UHFFFAOYSA-N	0	252.226	CC	0.888	0	Bother	ref	CCBARN	CCNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	 
O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3	ZINC000003882388	21/17/24/304211724	YOOFQLMTHFOERW-FBKDDSFISA-N	-1	275.26	CC	0.646	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3	 
O=C(O)[C@@H]1[C@@H]2C(=O)N(C[C@H]3CCCO3)C[C@]23C=C[C@H]1O3	ZINC000003882409	98/74/28/347987428	ZIXZUJGRFYPACJ-YNXVLUOKSA-N	-1	279.292	CC	0.032	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1[C@@H]2C(=O)N(C[C@H]3CCCO3)C[C@]23C=C[C@H]1O3	 
O=C(O)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C[C@]23C=C[C@H]1O3	ZINC000003882410	98/76/96/347987696	ZIXZUJGRFYPACJ-ZRDGONRFSA-N	-1	279.292	CC	0.032	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C[C@]23C=C[C@H]1O3	 
O=C(O)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@]23C=C[C@H]1O3	ZINC000003882424	21/15/93/304211593	SZDGAPWYJPRMQH-FBKDDSFISA-N	-1	263.293	CC	0.796	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@]23C=C[C@H]1O3	 
O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@]23C=C[C@H]1O3	ZINC000003882457	91/95/20/169919520	UMRDXBPZTJBZPP-NWJSVONSSA-N	-1	286.287	CC	0.448	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@]23C=C[C@H]1O3	 
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)no1	ZINC000003882714	34/37/81/301343781	RCRBLLBFYVWIES-ISCDUZKHSA-N	-1	276.248	CC	0.354	0	Anodyne	ref	CCAARM	Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)no1	 
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)no1	ZINC000003882715	34/39/13/301343913	RCRBLLBFYVWIES-QYVSTXNMSA-N	-1	276.248	CC	0.354	0	Anodyne	ref	CCAARM	Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)no1	 
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)no1	ZINC000003882717	34/37/84/301343784	RCRBLLBFYVWIES-SQFXPHBZSA-N	-1	276.248	CC	0.354	0	Anodyne	ref	CCAARM	Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)no1	 
CCCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O	ZINC000003905463	75/83/61/388758361	NDFHHBIZCGCWAK-BSTOTGJRSA-N	-1	251.282	CC	0.653	0	Anodyne	ref	CCAARM	CCCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	 
CCCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@H]3C1=O	ZINC000004044121	81/07/60/282810760	NDFHHBIZCGCWAK-KEPMVKOISA-N	-1	251.282	CC	0.653	0	Anodyne	ref	CCAARM	CCCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O	 
CCCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O	ZINC000004044122	75/82/25/388758225	NDFHHBIZCGCWAK-ORXSELOVSA-N	-1	251.282	CC	0.653	0	Anodyne	ref	CCAARM	CCCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O	 
NNc1nc(-c2ccccc2)nc(NN)c1[N+](=O)[O-]	ZINC000004086523	98/93/22/347989322	RXSKXUXMAIVHMZ-UHFFFAOYSA-N	-1	261.245	CC	0.623	1	Bother	mid	CCBAMM	NN=c1nc(-c2ccccc2)[n-]c(NN)c1[N+](=O)[O-]	 
NNc1nc(-c2ccccc2)nc(NN)c1[N+](=O)[O-]	ZINC000004086523	98/93/11/347989311	RXSKXUXMAIVHMZ-UHFFFAOYSA-N	0	261.245	CC	0.623	0	Bother	ref	CCBARN	NN=c1nc(-c2ccccc2)[nH]c(NN)c1[N+](=O)[O-]	 
O=C(O)C12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2	ZINC000004087310	03/52/82/304035282	ZGOHSJGPNWPPHD-LVEPVHQESA-N	-1	299.12	CC	0.699	0	Anodyne	ref	CCAARM	O=C([O-])C12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2	 
Nc1nc(Cl)nc(N2CCOCC2)c1[N+](=O)[O-]	ZINC000004087404	36/75/68/295367568	WPMWFKYKNILTPZ-UHFFFAOYSA-N	0	259.653	CC	0.457	0	Bother	ref	CCBARN	Nc1nc(Cl)nc(N2CCOCC2)c1[N+](=O)[O-]	 
C[S@@](=O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000004087936	53/08/28/184530828	QYXFLPXRIFFGJI-FVINQWEUSA-N	-1	295.316	CC	0.504	0	Anodyne	ref	CCAARM	C[S@@](=O)CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	 
C[S@@](=O)CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000004087938	88/07/32/300880732	QYXFLPXRIFFGJI-SBKAZYGRSA-N	-1	295.316	CC	0.504	0	Anodyne	ref	CCAARM	C[S@@](=O)CC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	 
COC(=O)[C@@H]1[C@H](C(=O)OC)N(C)c2ccccc2N1C=O	ZINC000004100140	95/24/01/291952401	FXVLSRCLJNYAFQ-NEPJUHHUSA-N	0	292.291	CC	0.182	0	Anodyne	ref	CCAARN	COC(=O)[C@@H]1[C@H](C(=O)OC)N(C)c2ccccc2N1C=O	 
COc1cc(NS(C)(=O)=O)c([N+](=O)[O-])cc1N	ZINC000004100938	98/92/59/347989259	LFMMHRQWXPRLBT-UHFFFAOYSA-N	0	261.259	CC	0.557	2	Bother	low	CCBALN	COc1cc(NS(C)(=O)=O)c([N+](=O)[O-])cc1N	 
COc1cc(NS(C)(=O)=O)c([N+](=O)[O-])cc1N	ZINC000004100938	98/92/53/347989253	LFMMHRQWXPRLBT-UHFFFAOYSA-N	-1	261.259	CC	0.557	0	Bother	ref	CCBARM	COc1cc([N-]S(C)(=O)=O)c([N+](=O)[O-])cc1N	 
O=[N+]([O-])c1cc[n+]([O-])c(-c2cc([N+](=O)[O-])cc[n+]2[O-])c1	ZINC000004101062	98/93/82/347989382	QVRTYCMSRZUOJO-UHFFFAOYSA-N	0	278.18	CC	0.437	0	Bother	ref	CCBARN	O=[N+]([O-])c1cc[n+]([O-])c(-c2cc([N+](=O)[O-])cc[n+]2[O-])c1	 
CCOC(=O)N1CCc2c(sc(N)c2C(N)=O)C1	ZINC000004177183	99/04/52/347990452	NSIGBZABEAQJEV-UHFFFAOYSA-N	0	269.326	CC	0.944	0	Anodyne	ref	CCAARN	CCOC(=O)N1CCc2c(sc(N)c2C(N)=O)C1	 
CN(C=O)c1c(NCc2ccccc2)nc(N)[nH]c1=O	ZINC000004938763	04/26/06/170042606	CHHUDPOOLKIEIF-UHFFFAOYSA-N	-1	273.296	CC	0.557	3	Anodyne	high	CCAAHM	CN(C=O)c1c(NCc2ccccc2)nc(N)[n-]c1=O	 
CN(C=O)c1c(NCc2ccccc2)nc(N)[nH]c1=O	ZINC000004938763	04/26/05/170042605	CHHUDPOOLKIEIF-UHFFFAOYSA-N	0	273.296	CC	0.557	1	Anodyne	mid	CCAAMN	CN(C=O)c1c(NCc2ccccc2)nc(N)[nH]c1=O	 
CN(C=O)c1c(NCc2ccccc2)nc(N)[nH]c1=O	ZINC000004938763	04/26/04/170042604	CHHUDPOOLKIEIF-UHFFFAOYSA-N	0	273.296	CC	0.557	0	Anodyne	ref	CCAARN	CN(C=O)c1c(NCc2ccccc2)[nH]c(N)nc1=O	 
COc1ccc(C(=O)Nc2c(N)nc[nH]c2=O)cc1	ZINC000004938766	04/27/53/170042753	LVFBLAUEYLSCQD-UHFFFAOYSA-N	-1	260.253	CC	0.613	3	Anodyne	high	CCAAHM	COc1ccc(C(=O)Nc2c(N)nc[n-]c2=O)cc1	 
COc1ccc(C(=O)Nc2c(N)nc[nH]c2=O)cc1	ZINC000004938766	04/27/52/170042752	LVFBLAUEYLSCQD-UHFFFAOYSA-N	0	260.253	CC	0.613	0	Anodyne	ref	CCAARN	COc1ccc(C(=O)Nc2c(N)nc[nH]c2=O)cc1	 
Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21	ZINC000005006172	05/42/56/170054256	XZBDEHJCCUXVEA-UHFFFAOYSA-N	0	280.196	CC	0.054	0	Bother	ref	CCBARN	Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21	 
NC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000005037874	05/90/23/170059023	MIDRKZSVGIGNME-UHFFFAOYSA-N	-1	263.322	CC	0.891	3	Anodyne	high	CCAAHM	NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CCCC3	 
NC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000005037874	05/90/21/170059021	MIDRKZSVGIGNME-UHFFFAOYSA-N	0	263.322	CC	0.891	0	Anodyne	ref	CCAARN	NC(=O)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3	 
CC(=O)Nc1cc([N+](=O)[O-])c(C(=O)O)cc1C(=O)O	ZINC000005383134	18/68/29/278186829	PVKBHMXHHRPTAV-UHFFFAOYSA-N	-2	268.181	CC	0.95	0	Bother	ref	CCBARL	CC(=O)Nc1cc([N+](=O)[O-])c(C(=O)[O-])cc1C(=O)[O-]	 
Nn1c(S)nnc1[C@H]1COc2ccccc2O1	ZINC000005731608	37/61/39/295376139	SCESYRFXYMDSGI-MRVPVSSYSA-N	-1	250.283	CC	0.793	3	Anodyne	high	CCAAHM	Nn1c([C@H]2COc3ccccc3O2)n[n-]c1=S	 
Nn1c(S)nnc1[C@H]1COc2ccccc2O1	ZINC000005731608	37/61/35/295376135	SCESYRFXYMDSGI-MRVPVSSYSA-N	0	250.283	CC	0.793	0	Anodyne	ref	CCAARN	NN1C(=S)N=NC1[C@H]1COc2ccccc2O1	 
Nn1c(S)nnc1[C@@H]1COc2ccccc2O1	ZINC000005731614	37/59/90/295375990	SCESYRFXYMDSGI-QMMMGPOBSA-N	-1	250.283	CC	0.793	3	Anodyne	high	CCAAHM	Nn1c([C@@H]2COc3ccccc3O2)n[n-]c1=S	 
Nn1c(S)nnc1[C@@H]1COc2ccccc2O1	ZINC000005731614	37/59/87/295375987	SCESYRFXYMDSGI-QMMMGPOBSA-N	0	250.283	CC	0.793	0	Anodyne	ref	CCAARN	NN1C(=S)N=NC1[C@@H]1COc2ccccc2O1	 
CCO/C(O)=C(\[N+]#N)C(=O)C[N+]12CCN(CC1)CC2	ZINC000005883965	00/36/76/348003676	ZRQZDMMLCDCMPC-UHFFFAOYSA-O	1	268.317	CC	0.318	1	Mild	mid	CCEAMO	CCOC(=O)C([N+]#N)=C([O-])C[N+]12CCN(CC1)CC2	 
CCO/C(O)=C(\[N+]#N)C(=O)C[N+]12CCN(CC1)CC2	ZINC000005883965	00/36/68/348003668	ZRQZDMMLCDCMPC-UHFFFAOYSA-O	1	268.317	CC	0.318	0	Mild	ref	CCEARO	CCOC([O-])=C([N+]#N)C(=O)C[N+]12CCN(CC1)CC2	 
N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000006093175	21/93/87/303219387	NOWRMDFJTJFMBQ-YVMONPNESA-N	0	265.656	CC	0.765	2	Clean	low	CCCALN	NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	 
N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000006093175	21/93/82/303219382	NOWRMDFJTJFMBQ-YVMONPNESA-N	-1	265.656	CC	0.765	0	Clean	ref	CCCARM	NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	 
CN1C(=O)C(=CNc2ccccc2O)C(=O)N(C)C1=O	ZINC000006223831	37/22/59/397372259	YLWYLLUFBIKOBP-UHFFFAOYSA-N	0	275.264	CC	0.738	0	Clean	ref	CCCARN	CN1C(=O)C(=CNc2ccccc2O)C(=O)N(C)C1=O	 
O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@@H]13)O2	ZINC000006545770	21/23/26/170212326	UMRDXBPZTJBZPP-OHTBPHCPSA-N	-1	286.287	CC	0.448	0	Anodyne	ref	CCAARM	O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@@H]13)O2	 
CN1C(=O)C(=CNc2ccc(O)cc2)C(=O)N(C)C1=O	ZINC000008375491	33/38/78/170333878	XXTXETSPWSGXTE-UHFFFAOYSA-N	0	275.264	CC	0.738	0	Clean	ref	CCCARN	CN1C(=O)C(=CNc2ccc(O)cc2)C(=O)N(C)C1=O	 
Cc1nc2ccccc2n1Cc1nnc(S)n1N	ZINC000008915001	35/89/84/170358984	HDJURFWPZQJZGN-UHFFFAOYSA-N	1	260.326	CC	0.987	2	Anodyne	low	CCAALO	Cc1[nH+]c2ccccc2n1CC1N=NC(=S)N1N	 
Cc1nc2ccccc2n1Cc1nnc(S)n1N	ZINC000008915001	35/89/83/170358983	HDJURFWPZQJZGN-UHFFFAOYSA-N	0	260.326	CC	0.987	0	Anodyne	ref	CCAARN	Cc1nc2ccccc2n1CC1N=NC(=S)N1N	 
CCCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O	ZINC000012404549	81/06/70/282810670	NDFHHBIZCGCWAK-VWMGYNLJSA-N	-1	251.282	CC	0.653	0	Anodyne	ref	CCAARM	CCCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O	 
CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1O	ZINC000017111072	72/58/26/170725826	GYRJGTPMGIKWFW-UHFFFAOYSA-N	-1	255.226	CC	0.434	0	Anodyne	ref	CCAARM	CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1[O-]	 
COC(=O)[C@@H]1[C@@H](C(=O)OC)N(C=O)c2ccccc2N1C	ZINC000017111394	60/79/89/291607989	FXVLSRCLJNYAFQ-RYUDHWBXSA-N	0	292.291	CC	0.182	0	Anodyne	ref	CCAARN	COC(=O)[C@@H]1[C@@H](C(=O)OC)N(C=O)c2ccccc2N1C	 
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CCO	ZINC000018085865	74/20/74/170742074	CKOWMEAETANXEU-RIYZIHGNSA-N	0	290.279	CC	0.793	0	Mild	ref	CCEARN	Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]CCO