CC(C)(C)NC[C@@H](O)COc1cccc2c1CCC(=O)N2	ZINC000000000128	50/25/28/169502528	LWAFSWPYPHEXKX-LLVKDONJSA-N	1	292.379	CD	1.699	0	Anodyne	ref	CDAARO	CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC(=O)N2	fda
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC	ZINC000000000811	50/25/58/169502558	XWVOEFLBOSSYGM-UHFFFAOYSA-N	0	281.308	CD	1.185	0	Anodyne	ref	CDAARN	COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC	in-man biogenic
C[C@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1	ZINC000000004689	93/53/66/377935366	WHXMKTBCFHIYNQ-VIFPVBQESA-N	0	280.291	CD	1.362	0	Mild	ref	CDEARN	C[C@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1	investigational
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12	ZINC000000005895	87/93/80/355879380	ULFRLSNUDGIQQP-UHFFFAOYSA-N	1	269.352	CD	1.912	0	Anodyne	ref	CDAARO	C[NH+](C)CCc1c[nH]c2ccc(Cn3cncn3)cc12	fda
CCOC(=O)c1sc(N)c(C(=O)OCC)c1C	ZINC000000035834	88/01/84/355880184	DGVXLHAJVRRLGV-UHFFFAOYSA-N	0	257.311	CD	1.992	0	Anodyne	ref	CDAARN	CCOC(=O)c1sc(N)c(C(=O)OCC)c1C	 
Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	ZINC000000049140	88/10/58/355881058	XOXHILFPRYWFOD-UHFFFAOYSA-N	0	284.728	CD	1.513	2	Anodyne	low	CDAALN	Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	in-man
Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	ZINC000000049140	88/10/56/355881056	XOXHILFPRYWFOD-UHFFFAOYSA-N	-1	284.728	CD	1.513	0	Anodyne	ref	CDAARM	Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	in-man
CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1	ZINC000000056433	52/01/79/169520179	AESFGSJWSUZRGW-UHFFFAOYSA-N	0	252.222	CD	1.462	0	Anodyne	ref	CDAARN	CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1	 
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1	ZINC000000089763	36/36/56/301363656	JLKIGFTWXXRPMT-UHFFFAOYSA-N	0	253.283	CD	1.366	2	Anodyne	low	CDAALN	Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1	fda
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1	ZINC000000089763	36/36/49/301363649	JLKIGFTWXXRPMT-UHFFFAOYSA-N	-1	253.283	CD	1.366	0	Anodyne	ref	CDAARM	Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1	fda
O=C(O)c1cccc(I)c1C(=O)O	ZINC000000134942	26/07/10/304260710	HNPVERUJGFNNRV-UHFFFAOYSA-N	-2	292.028	CD	1.688	0	Anodyne	ref	CDAARL	O=C([O-])c1cccc(I)c1C(=O)[O-]	 
O=c1c(Cl)c(N2CCNCC2)cnn1-c1ccccc1	ZINC000000151447	89/17/50/355891750	YPCRZRLLNDTCOR-UHFFFAOYSA-N	0	290.754	CD	1.295	3	Anodyne	high	CDAAHN	O=c1c(Cl)c(N2CCNCC2)cnn1-c1ccccc1	 
O=c1c(Cl)c(N2CCNCC2)cnn1-c1ccccc1	ZINC000000151447	89/17/45/355891745	YPCRZRLLNDTCOR-UHFFFAOYSA-N	1	290.754	CD	1.295	0	Anodyne	ref	CDAARO	O=c1c(Cl)c(N2CC[NH2+]CC2)cnn1-c1ccccc1	 
Cn1cc(Br)cc(Br)c1=O	ZINC000000174829	19/89/80/294198980	AOJAJTJZSBVNPU-UHFFFAOYSA-N	0	266.92	CD	1.91	0	Anodyne	ref	CDAARN	Cn1cc(Br)cc(Br)c1=O	in-vitro
CC[C@@H](C)n1c(=O)[nH]c(C)c(Br)c1=O	ZINC000000178090	89/38/74/355893874	CTSLUCNDVMMDHG-RXMQYKEDSA-N	0	261.119	CD	1.579	0	Anodyne	ref	CDAARN	CC[C@@H](C)n1c(=O)[nH]c(C)c(Br)c1=O	in-vitro
CC[C@H](C)n1c(=O)[nH]c(C)c(Br)c1=O	ZINC000000178092	56/51/52/169565152	CTSLUCNDVMMDHG-YFKPBYRVSA-N	0	261.119	CD	1.579	0	Anodyne	ref	CDAARN	CC[C@H](C)n1c(=O)[nH]c(C)c(Br)c1=O	in-vitro
Nc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1	ZINC000000247395	89/88/92/355898892	LWOAIKNLRVQTFT-UHFFFAOYSA-N	0	263.322	CD	1.652	0	Clean	ref	CDCARN	Nc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1	 
O=C1C[C@@H]2[C@@H](C[C@H](OC(=O)c3ccccc3)[C@H]2CO)O1	ZINC000000403151	90/94/39/355909439	OBRRYUZUDKVCOO-RVMXOQNASA-N	0	276.288	CD	1.156	0	Anodyne	ref	CDAARN	O=C1C[C@@H]2[C@@H](C[C@H](OC(=O)c3ccccc3)[C@H]2CO)O1	 
CCOC(=O)c1sc(C(=O)OCC)c(O)c1O	ZINC000000404092	91/01/38/355910138	YOKOBAHUBJPMGP-UHFFFAOYSA-N	-2	260.267	CD	1.513	3	Clean	high	CDCAHL	CCOC(=O)c1sc(C(=O)OCC)c([O-])c1[O-]	 
CCOC(=O)c1sc(C(=O)OCC)c(O)c1O	ZINC000000404092	91/01/34/355910134	YOKOBAHUBJPMGP-UHFFFAOYSA-N	-2	260.267	CD	1.513	2	Clean	low	CDCALL	CCOC(=O)c1sc(C(=O)OCC)c(O)c1O	 
CCOC(=O)c1sc(C(=O)OCC)c(O)c1O	ZINC000000404092	91/01/26/355910126	YOKOBAHUBJPMGP-UHFFFAOYSA-N	0	260.267	CD	1.513	0	Clean	ref	CDCARN	CCOC(=O)c1sc(C(=O)OCC)c(O)c1[O-]	 
CC(C)(C)NC[C@H](O)COc1cccc2c1CCC(=O)N2	ZINC000000896463	68/24/12/169682412	LWAFSWPYPHEXKX-NSHDSACASA-N	1	292.379	CD	1.699	0	Anodyne	ref	CDAARO	CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1CCC(=O)N2	fda
CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CCC1=O	ZINC000001433346	13/84/90/390138490	FGOJCPKOOGIRPA-JTQLQIEISA-N	0	285.34	CD	1.766	1	Anodyne	mid	CDAAMN	CCOC(=O)C1=C(O)CCN(C(=O)OC(C)(C)C)CC1	 
CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CCC1=O	ZINC000001433346	13/84/85/390138485	FGOJCPKOOGIRPA-JTQLQIEISA-N	0	285.34	CD	1.766	0	Anodyne	ref	CDAARN	CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CCC1=O	 
CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CCC1=O	ZINC000001433347	13/84/99/390138499	FGOJCPKOOGIRPA-SNVBAGLBSA-N	0	285.34	CD	1.766	1	Anodyne	mid	CDAAMN	CCOC(=O)C1=C(O)CCN(C(=O)OC(C)(C)C)CC1	 
CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CCC1=O	ZINC000001433347	13/84/96/390138496	FGOJCPKOOGIRPA-SNVBAGLBSA-N	0	285.34	CD	1.766	0	Anodyne	ref	CDAARN	CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CCC1=O	 
CCCN/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1	ZINC000001530599	93/87/34/355938734	RKWGIWYCVPQPMF-UHFFFAOYSA-N	0	276.745	CD	1.942	2	Mild	low	CDEALN	CCCNC(O)=NS(=O)(=O)c1ccc(Cl)cc1	fda
CCCN/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1	ZINC000001530599	93/87/31/355938731	RKWGIWYCVPQPMF-UHFFFAOYSA-N	-1	276.745	CD	1.942	1	Mild	mid	CDEAMM	CCCNC([O-])=NS(=O)(=O)c1ccc(Cl)cc1	fda
CCCN/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1	ZINC000001530599	93/87/29/355938729	RKWGIWYCVPQPMF-UHFFFAOYSA-N	-1	276.745	CD	1.942	1	Mild	mid	CDEAMM	CCCNC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	fda
CCCN/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1	ZINC000001530599	93/87/24/355938724	RKWGIWYCVPQPMF-UHFFFAOYSA-N	-1	276.745	CD	1.942	0	Mild	ref	CDEARM	CCCNC(=O)N=S(=O)([O-])c1ccc(Cl)cc1	fda
COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1	ZINC000001530717	71/19/23/169711923	IUBSYMUCCVWXPE-AWEZNQCLSA-N	1	267.369	CD	1.613	0	Anodyne	ref	CDAARO	COCCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1	fda
COCCc1ccc(OC[C@H](O)CNC(C)C)cc1	ZINC000001530718	93/87/72/355938772	IUBSYMUCCVWXPE-CQSZACIVSA-N	1	267.369	CD	1.613	0	Anodyne	ref	CDAARO	COCCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	fda
CN(C)CCOC(=O)COc1ccc(Cl)cc1	ZINC000001531029	93/89/07/355938907	XZTYGFHCIAKPGJ-UHFFFAOYSA-N	0	257.717	CD	1.824	3	Anodyne	high	CDAAHN	CN(C)CCOC(=O)COc1ccc(Cl)cc1	world
CN(C)CCOC(=O)COc1ccc(Cl)cc1	ZINC000001531029	93/89/01/355938901	XZTYGFHCIAKPGJ-UHFFFAOYSA-N	1	257.717	CD	1.824	0	Anodyne	ref	CDAARO	C[NH+](C)CCOC(=O)COc1ccc(Cl)cc1	world
CCCCCCNC(=O)n1cc(F)c(O)nc1=O	ZINC000001542916	93/90/45/355939045	AOCCBINRVIKJHY-UHFFFAOYSA-N	0	257.265	CD	1.226	1	Anodyne	mid	CDAAMN	CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O	world
CCCCCCNC(=O)n1cc(F)c(O)nc1=O	ZINC000001542916	93/90/38/355939038	AOCCBINRVIKJHY-UHFFFAOYSA-N	-1	257.265	CD	1.226	0	Anodyne	ref	CDAARM	CCCCCCNC(=O)n1cc(F)c(=O)[n-]c1=O	world
CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1	ZINC000001562175	93/88/76/355938876	OWGNKUKYZPVEFS-UHFFFAOYSA-N	0	276.292	CD	1.522	0	Anodyne	ref	CDAARN	CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1	 
O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12	ZINC000001605332	76/87/60/304768760	XTEGVFVZDVNBPF-UHFFFAOYSA-N	-2	288.302	CD	1.333	0	Anodyne	ref	CDAARL	O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12	in-man
CCOC(=O)C(Cc1ccccc1)C(=O)OCC	ZINC000001648200	94/42/12/355944212	ICZLTZWATFXDLP-UHFFFAOYSA-N	0	250.294	CD	1.972	0	Anodyne	ref	CDAARN	CCOC(=O)C(Cc1ccccc1)C(=O)OCC	in-vitro
Cc1ccc(S(=O)(=O)OC[C@H]2COC(C)(C)O2)cc1	ZINC000001668592	94/55/48/355945548	SRKDUHUULIWXFT-LLVKDONJSA-N	0	286.349	CD	1.852	0	Mild	ref	CDEARN	Cc1ccc(S(=O)(=O)OC[C@H]2COC(C)(C)O2)cc1	in-vitro
O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)ccc2c1	ZINC000001669723	94/63/85/355946385	FITZJYAVATZPMJ-UHFFFAOYSA-N	-2	288.302	CD	1.333	0	Anodyne	ref	CDAARL	O=S(=O)([O-])c1ccc2cc(S(=O)(=O)[O-])ccc2c1	in-vivo
CCOC(=O)C(CC(OCC)OCC)C(=O)OCC	ZINC000001683760	94/70/37/355947037	VQUXMFKGQFXVBC-UHFFFAOYSA-N	0	276.329	CD	1.518	0	Anodyne	ref	CDAARN	CCOC(=O)C(CC(OCC)OCC)C(=O)OCC	 
O=S(=O)(O)c1ccc2ccc(S(=O)(=O)O)cc2c1	ZINC000001700072	74/49/24/169744924	VILFVXYKHXVYAB-UHFFFAOYSA-N	-2	288.302	CD	1.333	0	Anodyne	ref	CDAARL	O=S(=O)([O-])c1ccc2ccc(S(=O)(=O)[O-])cc2c1	in-vitro
CCOC(=O)C(C)(Br)C(=O)OCC	ZINC000001706028	94/88/16/355948816	CSLQAXTUGPUBCW-UHFFFAOYSA-N	0	253.092	CD	1.266	0	Anodyne	ref	CDAARN	CCOC(=O)C(C)(Br)C(=O)OCC	 
N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)O	ZINC000001707768	94/87/78/355948778	CKGCFBNYQJDIGS-GFCCVEGCSA-N	0	280.324	CD	1.495	0	Anodyne	ref	CDAARN	[NH3+][C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-]	 
Nc1c(I)cccc1C(=O)O	ZINC000001721751	94/99/44/355949944	NPQWFVGQIVTULM-UHFFFAOYSA-N	-1	263.034	CD	1.572	0	Anodyne	ref	CDAARM	Nc1c(I)cccc1C(=O)[O-]	in-vitro
C[C@@H](CNC(=O)c1cccnc1)NC(=O)c1cccnc1	ZINC000001817747	95/30/82/355953082	KTXBOOWDLPUROC-NSHDSACASA-N	0	284.319	CD	1.025	0	Anodyne	ref	CDAARN	C[C@@H](CNC(=O)c1cccnc1)NC(=O)c1cccnc1	in-man
C[C@H](CNC(=O)c1cccnc1)NC(=O)c1cccnc1	ZINC000001817748	95/29/72/355952972	KTXBOOWDLPUROC-LLVKDONJSA-N	0	284.319	CD	1.025	0	Anodyne	ref	CDAARN	C[C@H](CNC(=O)c1cccnc1)NC(=O)c1cccnc1	in-man
c1cc(N(C[C@H]2CO2)C[C@@H]2CO2)ccc1OC[C@H]1CO1	ZINC000001849851	85/46/82/344854682	AHIPJALLQVEEQF-ZNMIVQPWSA-N	0	277.32	CD	1.068	0	Clean	ref	CDCARN	c1cc(N(C[C@H]2CO2)C[C@@H]2CO2)ccc1OC[C@H]1CO1	 
O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1	ZINC000001995245	95/74/50/355957450	HEWDOWUUTBCVJP-UHFFFAOYSA-N	-2	288.302	CD	1.333	0	Anodyne	ref	CDAARL	O=S(=O)([O-])c1ccc2c(S(=O)(=O)[O-])cccc2c1	in-vitro
CNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1	ZINC000002015588	95/74/70/355957470	ZCNCWYFISJTFHB-UHFFFAOYSA-N	-2	253.279	CD	1.834	3	Anodyne	high	CDAAHL	CNc1ccc2c([O-])cc(S(=O)(=O)[O-])cc2c1	 
CNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1	ZINC000002015588	95/74/68/355957468	ZCNCWYFISJTFHB-UHFFFAOYSA-N	-1	253.279	CD	1.834	0	Anodyne	ref	CDAARM	CNc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1	 
Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1	ZINC000002015928	95/74/52/355957452	MCGSCOLBFJQGHM-SCZZXKLOSA-N	0	286.339	CD	1.092	0	Anodyne	ref	CDAARN	Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1	fda
CCS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1	ZINC000002244026	96/48/02/355964802	UUARTHQJSZTOEM-UHFFFAOYSA-N	0	258.295	CD	1.275	0	Anodyne	ref	CDAARN	CCS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1	 
O=S(=O)(O)c1ccccc1I	ZINC000002381160	76/87/79/304768779	ZJTNYBYLBTVLRD-UHFFFAOYSA-N	-1	284.074	CD	1.538	0	Anodyne	ref	CDAARM	O=S(=O)([O-])c1ccccc1I	 
CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC	ZINC000002381598	96/84/21/355968421	CFRPSFYHXJZSBI-DHZHZOJOSA-N	0	270.72	CD	1.852	0	Anodyne	ref	CDAARN	CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC	in-vitro
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O	ZINC000002386549	96/92/61/355969261	ABBVAMUCDQETDO-SECBINFHSA-N	0	271.313	CD	1.376	0	Anodyne	ref	CDAARN	CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O	 
CCOC(=O)CC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000002387714	79/04/05/169790405	NEVSSHAHYYYAKX-UHFFFAOYSA-N	0	251.238	CD	1.66	0	Bother	ref	CDBARN	CCOC(=O)CC(=O)Cc1ccccc1[N+](=O)[O-]	 
CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O	ZINC000002392276	96/91/01/355969101	ZVAFCKLQJCZGAP-WDEREUQCSA-N	-1	281.308	CD	1.698	0	Anodyne	ref	CDAARM	CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)[O-]	 
COc1nccc(I)c1C=O	ZINC000002546092	56/71/27/286567127	GNBKAOHTTIVAMT-UHFFFAOYSA-N	0	263.034	CD	1.507	0	Anodyne	ref	CDAARN	COc1nccc(I)c1C=O	 
COC(=O)c1ccc(O)c(I)c1	ZINC000002548331	56/54/96/284565496	PXNOLLHARLSLHY-UHFFFAOYSA-N	-1	278.045	CD	1.783	1	Anodyne	mid	CDAAMM	COC(=O)c1ccc([O-])c(I)c1	 
COC(=O)c1ccc(O)c(I)c1	ZINC000002548331	56/54/92/284565492	PXNOLLHARLSLHY-UHFFFAOYSA-N	0	278.045	CD	1.783	0	Anodyne	ref	CDAARN	COC(=O)c1ccc(O)c(I)c1	 
COC(=O)c1nc(SC)ncc1Br	ZINC000002548385	97/43/06/355974306	MYZJIEWTRJTWCD-UHFFFAOYSA-N	0	263.116	CD	1.748	0	Anodyne	ref	CDAARN	COC(=O)c1nc(SC)ncc1Br	 
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O	ZINC000002555025	80/78/40/169807840	NRXDUMDULDHIEA-VIFPVBQESA-N	-1	288.344	CD	1.127	0	Anodyne	ref	CDAARM	CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]	 
c1cc(N(C[C@@H]2CO2)C[C@@H]2CO2)ccc1OC[C@@H]1CO1	ZINC000002557002	97/53/96/355975396	AHIPJALLQVEEQF-RBSFLKMASA-N	0	277.32	CD	1.068	0	Clean	ref	CDCARN	c1cc(N(C[C@@H]2CO2)C[C@@H]2CO2)ccc1OC[C@@H]1CO1	 
N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O	ZINC000002561082	97/48/16/355974816	TVIDEEHSOPHZBR-AWEZNQCLSA-N	0	269.3	CD	1.872	0	Anodyne	ref	CDAARN	[NH3+][C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)[O-]	in-vivo
Cc1ccc(S(=O)(=O)OC[C@@H]2CCC(=O)O2)cc1	ZINC000002564896	97/48/01/355974801	MGAXYKDBRBNWKT-JTQLQIEISA-N	0	270.306	CD	1.406	0	Mild	ref	CDEARN	Cc1ccc(S(=O)(=O)OC[C@@H]2CCC(=O)O2)cc1	 
COC(=O)c1cc(OC)c2c(c1Br)OCO2	ZINC000002569278	97/49/25/355974925	LBTTXOWOLNELBG-UHFFFAOYSA-N	0	289.081	CD	1.973	0	Anodyne	ref	CDAARN	COC(=O)c1cc(OC)c2c(c1Br)OCO2	 
Cc1ccc(S(=O)(=O)OC[C@H]2CCC(=O)O2)cc1	ZINC000002572155	81/16/43/169811643	MGAXYKDBRBNWKT-SNVBAGLBSA-N	0	270.306	CD	1.406	0	Mild	ref	CDEARN	Cc1ccc(S(=O)(=O)OC[C@H]2CCC(=O)O2)cc1	 
CCOC(=O)CC(=O)c1ccc(OC)c(OC)c1	ZINC000002575924	97/63/31/355976331	BHSYONGONOKNAI-UHFFFAOYSA-N	0	252.266	CD	1.84	2	Anodyne	low	CDAALN	CCOC(=O)C=C(O)c1ccc(OC)c(OC)c1	 
CCOC(=O)CC(=O)c1ccc(OC)c(OC)c1	ZINC000002575924	97/63/28/355976328	BHSYONGONOKNAI-UHFFFAOYSA-N	-1	252.266	CD	1.84	0	Anodyne	ref	CDAARM	CCOC(=O)C=C([O-])c1ccc(OC)c(OC)c1	 
O=C(N[C@@H](CO)CCCO)OCc1ccccc1	ZINC000002580929	81/32/95/169813295	QONUZQBHASYEAL-GFCCVEGCSA-N	0	253.298	CD	1.046	0	Anodyne	ref	CDAARN	O=C(N[C@@H](CO)CCCO)OCc1ccccc1	 
O=S(=O)(O)CCCCSc1nnc(S)s1	ZINC000002583811	35/15/26/372351526	ZKRYOFVBBRONKI-UHFFFAOYSA-N	-1	286.425	CD	1.587	1	Anodyne	mid	CDABMM	O=S(=O)([O-])CCCCSc1n[nH]c(=S)s1	 
O=S(=O)(O)CCCCSc1nnc(S)s1	ZINC000002583811	35/15/13/372351513	ZKRYOFVBBRONKI-UHFFFAOYSA-N	-2	286.425	CD	1.587	0	Anodyne	ref	CDABRL	O=S(=O)([O-])CCCCSc1n[n-]c(=S)s1	 
O=C1c2nccnc2[C@H](O)N1c1ccc(Cl)cn1	ZINC000002583962	02/80/76/285028076	FUUXOEKDNNWZTR-JTQLQIEISA-N	0	262.656	CD	1.176	0	Anodyne	ref	CDAARN	O=c1c2[nH]cc[nH]c=2c(=O)n1-c1ccc(Cl)cn1	in-vitro
O=C(O)[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1	ZINC000002584195	20/11/88/304201188	BJGNCJDXODQBOB-SSDOTTSWSA-N	-1	280.33	CD	1.948	0	Anodyne	ref	CDAARM	O=C([O-])[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1	in-vitro
COC(=O)c1ccnc(I)c1	ZINC000003644912	59/12/66/284591266	XXOKMYMXDALOEN-UHFFFAOYSA-N	0	263.034	CD	1.473	0	Anodyne	ref	CDAARN	COC(=O)c1ccnc(I)c1	 
Ic1cncc(OC[C@@H]2CCN2)c1	ZINC000003829025	01/02/99/356010299	RKVRGRXOYDTUEY-QMMMGPOBSA-N	1	290.104	CD	1.427	0	Anodyne	ref	CDAARO	Ic1cncc(OC[C@@H]2CC[NH2+]2)c1	in-vitro
O=C(O)C(Br)(Br)Br	ZINC000003860794	02/69/79/304026979	QIONYIKHPASLHO-UHFFFAOYSA-N	-1	296.74	CD	1.909	0	Anodyne	ref	CDAARM	O=C([O-])C(Br)(Br)Br	 
C[C@@](C#N)(CCC(=O)O)/N=N/[C@@](C)(C#N)CCC(=O)O	ZINC000003860946	01/07/01/356010701	VFXXTYGQYWRHJP-BJUSYEATSA-N	-2	280.284	CD	1.733	0	Mild	ref	CDEARL	C[C@@](C#N)(CCC(=O)[O-])/N=N/[C@@](C)(C#N)CCC(=O)[O-]	in-vitro
C[C@@](C#N)(CCC(=O)O)/N=N/[C@](C)(C#N)CCC(=O)O	ZINC000003860947	01/06/62/356010662	VFXXTYGQYWRHJP-IYSAKQGKSA-N	-2	280.284	CD	1.733	0	Mild	ref	CDEARL	C[C@@](C#N)(CCC(=O)[O-])/N=N/[C@](C)(C#N)CCC(=O)[O-]	in-vitro
C[C@](C#N)(CCC(=O)O)/N=N/[C@@](C)(C#N)CCC(=O)O	ZINC000003860948	91/71/26/169917126	VFXXTYGQYWRHJP-VBMPLNBNSA-N	-2	280.284	CD	1.733	0	Mild	ref	CDEARL	C[C@](C#N)(CCC(=O)[O-])/N=N/[C@@](C)(C#N)CCC(=O)[O-]	in-vitro
C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C	ZINC000003875759	77/36/11/360773611	HWSSEYVMGDIFMH-UHFFFAOYSA-N	0	286.324	CD	1.258	0	Mild	ref	CDEARN	C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C	in-vitro
Nc1ccc2c(c1)OCCOCCOCCOCCO2	ZINC000003877686	35/98/11/295359811	CQNGAZMLFIMLQN-UHFFFAOYSA-N	0	283.324	CD	1.09	0	Anodyne	ref	CDAARN	Nc1ccc2c(c1)OCCOCCOCCOCCO2	 
O=C1Nc2ccc(I)cc2C1=O	ZINC000003909323	40/01/69/296400169	OEUGDMOJQQLVAZ-UHFFFAOYSA-N	-1	273.029	CD	1.426	3	Anodyne	high	CDAAHM	O=C1[N-]c2ccc(I)cc2C1=O	 
O=C1Nc2ccc(I)cc2C1=O	ZINC000003909323	40/01/63/296400163	OEUGDMOJQQLVAZ-UHFFFAOYSA-N	0	273.029	CD	1.426	0	Anodyne	ref	CDAARN	O=C1Nc2ccc(I)cc2C1=O	 
C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1	ZINC000003915645	01/43/41/356014341	WHXMKTBCFHIYNQ-SECBINFHSA-N	0	280.291	CD	1.362	0	Mild	ref	CDEARN	C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1	world
COC(=O)C12CC3CC(C1)CC(C(=O)OC)(C3)C2	ZINC000004014638	15/03/99/390150399	YXMDGBXGJKYMQL-UHFFFAOYSA-N	0	252.31	CD	1.919	0	Anodyne	ref	CDAARN	COC(=O)C12CC3CC(C1)CC(C(=O)OC)(C3)C2	 
CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1	ZINC000004128392	15/07/39/390150739	VEMGKBUHUTYHHA-UHFFFAOYSA-N	-2	254.267	CD	1.046	1	Anodyne	mid	CDAAML	Cc1cc(=O)n(-c2cccc(S(=O)(=O)[O-])c2)[n-]1	 
CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1	ZINC000004128392	15/07/36/390150736	VEMGKBUHUTYHHA-UHFFFAOYSA-N	-1	254.267	CD	1.046	0	Anodyne	ref	CDAARM	Cc1cc(=O)n(-c2cccc(S(=O)(=O)[O-])c2)[nH]1	 
CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1	ZINC000004284042	37/70/72/278377072	HWSHVKNLMBMKSR-GHMZBOCLSA-N	1	273.373	CD	1.977	0	Anodyne	ref	CDAARO	CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC[NH3+])OC(C)(C)O1	in-vitro
O=C1OCc2ccc(I)cc21	ZINC000004294168	02/60/29/356026029	GDWUNKJJSAKJSC-UHFFFAOYSA-N	0	260.03	CD	1.962	0	Anodyne	ref	CDAARN	O=C1OCc2ccc(I)cc21	 
CCOC(=O)c1ccc(OCCOC)c(OCCOC)c1	ZINC000004324147	02/74/70/356027470	VGFZRAVMWXHEJB-UHFFFAOYSA-N	0	298.335	CD	1.914	0	Anodyne	ref	CDAARN	CCOC(=O)c1ccc(OCCOC)c(OCCOC)c1	 
Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1	ZINC000004342760	02/82/76/356028276	VKURVCNKVWKGLX-UHFFFAOYSA-N	-1	279.321	CD	1.841	0	Clean	ref	CDCARM	Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)[O-])cc1	 
COC(=O)c1cccc(I)n1	ZINC000004352701	02/86/39/356028639	GUTYNFXCTKHUAX-UHFFFAOYSA-N	0	263.034	CD	1.473	0	Anodyne	ref	CDAARN	COC(=O)c1cccc(I)n1	 
CCOC(=O)Cc1c(C(=O)OCC)sc(N)c1C#N	ZINC000004390439	96/45/80/169964580	FLAGIUJSXKJCOB-UHFFFAOYSA-N	0	282.321	CD	1.484	0	Mild	ref	CDEARN	CCOC(=O)Cc1c(C(=O)OCC)sc(N)c1C#N	 
CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)C1	ZINC000004404436	03/06/30/356030630	UWLNKHDLVZEYKQ-UHFFFAOYSA-N	-2	288.712	CD	1.699	1	Anodyne	mid	CDAAML	Cc1cc(=O)n(-c2cc(S(=O)(=O)[O-])ccc2Cl)[n-]1	 
CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)C1	ZINC000004404436	03/06/23/356030623	UWLNKHDLVZEYKQ-UHFFFAOYSA-N	-1	288.712	CD	1.699	0	Anodyne	ref	CDAARM	Cc1cc(=O)n(-c2cc(S(=O)(=O)[O-])ccc2Cl)[nH]1	 
CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C(=O)O)CS1	ZINC000004661034	03/95/30/356039530	XDBMTQVSHNQIFU-QJPTWQEYSA-N	0	295.36	CD	1.449	2	Anodyne	low	CDAALN	CCOC(=O)[C@H](c1ccccc1)[C@@H]1[NH2+][C@H](C(=O)[O-])CS1	 
CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C(=O)O)CS1	ZINC000004661034	03/95/25/356039525	XDBMTQVSHNQIFU-QJPTWQEYSA-N	-1	295.36	CD	1.449	0	Anodyne	ref	CDAARM	CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C(=O)[O-])CS1