Cc1cc(Br)cc(Br)c1OCC(=O)O	ZINC000000054721	53/17/39/425531739	ONPBJJDXODEHDD-UHFFFAOYSA-N	-1	323.968	DF	2.983	0	Anodyne	ref	DFAARM	Cc1cc(Br)cc(Br)c1OCC(=O)[O-]	 
COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2)cc1	ZINC000000054830	67/94/74/180679474	MSEFNNYTRUIQHL-UHFFFAOYSA-N	0	314.341	DF	2.671	0	Anodyne	ref	DFAARN	COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2)cc1	 
COc1ccccc1Nc1nc2c(C)cccn2c(=O)c1C=O	ZINC000000127738	53/89/14/425538914	JRBANGPVGWEJMV-UHFFFAOYSA-N	0	309.325	DF	2.568	0	Anodyne	ref	DFAARN	COc1ccccc1Nc1nc2c(C)cccn2c(=O)c1C=O	 
O=C(O)c1cc(Br)c(C(=O)O)cc1Br	ZINC000000134032	22/09/10/304220910	VUTICWRXMKBOSF-UHFFFAOYSA-N	-2	323.924	DF	2.608	0	Anodyne	ref	DFAARL	O=C([O-])c1cc(Br)c(C(=O)[O-])cc1Br	 
O=C(O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12	ZINC000000158570	54/05/06/425540506	ISTBYLZYNVIQFS-UHFFFAOYSA-N	-1	301.323	DF	2.577	0	Anodyne	ref	DFAARM	O=C([O-])c1cn(S(=O)(=O)c2ccccc2)c2ccccc12	 
COc1cc(C(=O)Oc2ccccc2C=O)cc(OC)c1OC	ZINC000000319742	55/39/86/425553986	GJEBKHCDXLYAFM-UHFFFAOYSA-N	0	316.309	DF	2.744	0	Anodyne	ref	DFAARN	COc1cc(C(=O)Oc2ccccc2C=O)cc(OC)c1OC	 
O=S1(=O)C(Br)=C(Br)c2ccccc21	ZINC000000331054	49/45/71/296494571	GNRZWFXQDOCWQX-UHFFFAOYSA-N	0	323.993	DF	2.89	0	Anodyne	ref	DFAARN	O=S1(=O)C(Br)=C(Br)c2ccccc21	 
O=C(NC[C@H](O)CNc1ccc(Cl)cc1)c1ccccc1F	ZINC000000332407	55/48/03/425554803	YINVCJFPBSYYMW-CYBMUJFWSA-N	0	322.767	DF	2.682	0	Anodyne	ref	DFAARN	O=C(NC[C@H](O)CNc1ccc(Cl)cc1)c1ccccc1F	 
O=C(NC[C@@H](O)CNc1ccc(Cl)cc1)c1ccccc1F	ZINC000000332408	61/33/04/190613304	YINVCJFPBSYYMW-ZDUSSCGKSA-N	0	322.767	DF	2.682	0	Anodyne	ref	DFAARN	O=C(NC[C@@H](O)CNc1ccc(Cl)cc1)c1ccccc1F	 
CC1=C(Br)C(Br)=C(C)S1(=O)=O	ZINC000000334124	47/81/28/278478128	CQKFFLZFTZHYDJ-UHFFFAOYSA-N	0	301.987	DF	2.668	0	Anodyne	ref	DFAARN	CC1=C(Br)C(Br)=C(C)S1(=O)=O	 
CC(C)(C)C(=O)Nc1ccncc1I	ZINC000000334503	81/08/13/275810813	GPMKCDBJLNTANL-UHFFFAOYSA-N	0	304.131	DF	2.671	0	Anodyne	ref	DFAARN	CC(C)(C)C(=O)Nc1ccncc1I	 
CC(C)(C)OC(=O)NCCc1cn(C(=O)OC(C)(C)C)cn1	ZINC000000334506	55/45/01/425554501	WWYWXHQAJQEAQJ-UHFFFAOYSA-N	0	311.382	DF	2.734	0	Anodyne	ref	DFAARN	CC(C)(C)OC(=O)NCCc1cn(C(=O)OC(C)(C)C)cn1	 
O=C(O)/C(=C\c1ccc([N+](=O)[O-])s1)NC(=O)c1ccccc1	ZINC000000335794	76/09/60/180760960	RCAUPMFNUKOWRC-DHZHZOJOSA-N	-1	318.31	DF	2.512	0	Bother	ref	DFBARM	O=C([O-])/C(=C\c1ccc([N+](=O)[O-])s1)NC(=O)c1ccccc1	 
CCOC(=O)c1c(SC)nc(-c2ccc(Cl)cc2)[nH]c1=O	ZINC000000336015	55/43/70/425554370	USQGVYONAPZMEB-UHFFFAOYSA-N	-1	324.789	DF	2.989	1	Anodyne	mid	DFAAMM	CCOC(=O)c1c(SC)nc(-c2ccc(Cl)cc2)[n-]c1=O	 
CCOC(=O)c1c(SC)nc(-c2ccc(Cl)cc2)[nH]c1=O	ZINC000000336015	55/43/65/425554365	USQGVYONAPZMEB-UHFFFAOYSA-N	0	324.789	DF	2.989	0	Anodyne	ref	DFAARN	CCOC(=O)c1c(SC)nc(-c2ccc(Cl)cc2)[nH]c1=O	 
COc1cc(C=O)ccc1OCC(=O)N[C@H](C)c1ccccc1	ZINC000000336089	55/38/09/425553809	UMZZIPNKGKXVDW-CYBMUJFWSA-N	0	313.353	DF	2.764	0	Anodyne	ref	DFAARN	COc1cc(C=O)ccc1OCC(=O)N[C@H](C)c1ccccc1	 
COc1ccc(C(=O)Oc2c(OC)cc(C=O)cc2OC)cc1	ZINC000000336162	55/42/69/425554269	HNGSPBVZUQLTCB-UHFFFAOYSA-N	0	316.309	DF	2.744	0	Anodyne	ref	DFAARN	COc1ccc(C(=O)Oc2c(OC)cc(C=O)cc2OC)cc1	 
CC1(C)COC(c2cnccc2C(=O)NCc2ccccc2)=N1	ZINC000000336795	55/39/41/425553941	NBBXNCISQXQPLU-UHFFFAOYSA-N	0	309.369	DF	2.567	0	Anodyne	ref	DFAARN	CC1(C)COC(c2cnccc2C(=O)NCc2ccccc2)=N1	 
CCOC(=O)c1c(Br)c(C)nc(Cl)c1C#N	ZINC000000336837	55/45/80/425554580	QBFHMFSLMPUIBS-UHFFFAOYSA-N	0	303.543	DF	2.854	0	Mild	ref	DFEARN	CCOC(=O)c1c(Br)c(C)nc(Cl)c1C#N	 
CCS(=O)(=O)c1ccc2nc(-c3ccc(C=O)cc3)cn2c1	ZINC000000337684	55/47/40/425554740	BAHZRJUXJHHRDC-UHFFFAOYSA-N	0	314.366	DF	2.607	0	Anodyne	ref	DFAARN	CCS(=O)(=O)c1ccc2nc(-c3ccc(C=O)cc3)cn2c1	 
COc1cc([N+](=O)[O-])c(C(=O)O)cc1OCc1ccccc1	ZINC000000337936	55/36/37/425553637	MKUIZUTZPMISIV-UHFFFAOYSA-N	-1	303.27	DF	2.881	0	Bother	ref	DFBARM	COc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OCc1ccccc1	 
Nc1nnc(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc12	ZINC000000337943	37/56/84/295375684	GSOBPIULDMMNIA-UHFFFAOYSA-N	0	314.352	DF	2.918	0	Anodyne	ref	DFAARN	Nc1nnc(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc12	 
CCOC(=O)c1cc(Br)c(N)c(Br)c1	ZINC000000368223	55/62/37/425556237	ROWXLRODWPSPTR-UHFFFAOYSA-N	0	322.984	DF	2.971	0	Anodyne	ref	DFAARN	CCOC(=O)c1cc(Br)c(N)c(Br)c1	 
O=C(NC(=S)NCc1cccnc1)c1ccc(Cl)cc1	ZINC000000451294	56/18/82/425561882	DBJOGBLWMYELIC-UHFFFAOYSA-N	0	305.79	DF	2.54	0	Anodyne	ref	DFAARN	O=C(NC(=S)NCc1cccnc1)c1ccc(Cl)cc1	 
NS(=O)(=O)c1cnccc1Sc1cccc(Cl)c1	ZINC000000481364	80/42/84/180804284	BQONAVBCTLIHTR-UHFFFAOYSA-N	0	300.792	DF	2.534	0	Anodyne	ref	DFAARN	NS(=O)(=O)c1cnccc1Sc1cccc(Cl)c1	 
O=C1NC2(CCN(Cc3ccccc3)CC2)Nc2ccccc21	ZINC000000730498	87/23/07/284872307	QYQMLXUZPUNBGO-UHFFFAOYSA-N	0	307.397	DF	2.834	3	Anodyne	high	DFAAHN	O=C1NC2(CCN(Cc3ccccc3)CC2)Nc2ccccc21	 
O=C1NC2(CCN(Cc3ccccc3)CC2)Nc2ccccc21	ZINC000000730498	87/23/04/284872304	QYQMLXUZPUNBGO-UHFFFAOYSA-N	1	307.397	DF	2.834	0	Anodyne	ref	DFAARO	O=C1NC2(CC[NH+](Cc3ccccc3)CC2)Nc2ccccc21	 
C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	ZINC000000966689	80/20/12/295802012	BLHYTLOQKLPSHW-LOBLAWFCSA-N	-1	311.359	DF	2.5	0	Clean	ref	DFCARM	C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	 
C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	ZINC000000966691	21/51/97/298215197	BLHYTLOQKLPSHW-LWYMYGMPSA-N	-1	311.359	DF	2.5	0	Clean	ref	DFCARM	C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	 
CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1	ZINC000000966716	58/98/77/280589877	AWCQDIJMYZEIPK-GHXNOFRVSA-N	-1	305.355	DF	2.931	0	Anodyne	ref	DFAARM	CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1	 
CC(=C/c1ccccc1)/C=C1\SC(=O)N(CC(=O)O)C1=O	ZINC000000966749	92/85/32/277928532	VHARQOHGADYUIA-NQXFEYKRSA-N	-1	303.339	DF	2.754	0	Anodyne	ref	DFAARM	CC(=C/c1ccccc1)/C=C1\SC(=O)N(CC(=O)[O-])C1=O	 
O=C(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000001601014	87/77/67/180877767	SGKVXDKTNJHBCA-UHFFFAOYSA-N	0	300.226	DF	2.569	0	Clean	ref	DFCARN	O=C(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	in-vivo
CCOc1cccc(C=O)c1OS(=O)(=O)c1ccccc1	ZINC000002024213	58/94/87/425589487	UPPHWZNOUOVLJE-UHFFFAOYSA-N	0	306.339	DF	2.666	0	Anodyne	ref	DFAARN	CCOc1cccc(C=O)c1OS(=O)(=O)c1ccccc1	 
C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)c1ccccc1	ZINC000002025303	58/82/19/425588219	JYIZIPDLLGKGTA-LBPRGKRZSA-N	0	316.788	DF	2.834	0	Anodyne	ref	DFAARN	C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)c1ccccc1	 
C[C@@H](NC(=O)C(=O)NCc1ccccc1Cl)c1ccccc1	ZINC000002025306	58/91/34/425589134	JYIZIPDLLGKGTA-GFCCVEGCSA-N	0	316.788	DF	2.834	0	Anodyne	ref	DFAARN	C[C@@H](NC(=O)C(=O)NCc1ccccc1Cl)c1ccccc1	 
O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	ZINC000002025824	90/65/98/180906598	LWEZSILINWAWTA-UHFFFAOYSA-N	0	320.751	DF	2.777	0	Anodyne	ref	DFAARN	O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	 
COc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1	ZINC000002026727	58/87/60/425588760	YTLIZMMVMUABMZ-UHFFFAOYSA-N	0	318.76	DF	2.604	0	Anodyne	ref	DFAARN	COc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1	 
COc1ccc(C=O)cc1OS(=O)(=O)c1ccc(C)cc1	ZINC000002028631	90/68/30/180906830	YIYOOHKTILGJQJ-UHFFFAOYSA-N	0	306.339	DF	2.584	0	Anodyne	ref	DFAARN	COc1ccc(C=O)cc1OS(=O)(=O)c1ccc(C)cc1	 
Cc1c(Cl)cccc1NC(=O)C(=O)NCc1cccs1	ZINC000002028744	58/92/09/425589209	BGYKRHPGGKJWPF-UHFFFAOYSA-N	0	308.79	DF	2.965	0	Anodyne	ref	DFAARN	Cc1c(Cl)cccc1NC(=O)C(=O)NCc1cccs1	 
COc1cc(C=O)ccc1OCC(=O)N[C@@H](C)c1ccccc1	ZINC000002799021	60/38/50/425603850	UMZZIPNKGKXVDW-ZDUSSCGKSA-N	0	313.353	DF	2.764	0	Anodyne	ref	DFAARN	COc1cc(C=O)ccc1OCC(=O)N[C@@H](C)c1ccccc1	 
COc1ccccc1NC(=O)COc1ccc(C=O)cc1OC	ZINC000004071391	06/93/82/181069382	BRLSKFDZAFKPBU-UHFFFAOYSA-N	0	315.325	DF	2.534	0	Anodyne	ref	DFAARN	COc1ccccc1NC(=O)COc1ccc(C=O)cc1OC	 
O=Cc1csc([N+](=O)[O-])c1-c1c(C=O)csc1[N+](=O)[O-]	ZINC000004088527	72/57/04/304725704	MSKXLNBATYYFJT-UHFFFAOYSA-N	0	312.284	DF	2.918	0	Bother	ref	DFBARN	O=Cc1csc([N+](=O)[O-])c1-c1c(C=O)csc1[N+](=O)[O-]	 
O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)CS1(=O)=O	ZINC000004099539	07/35/46/181073546	SGHMCXCOZZERMH-INIZCTEOSA-N	0	315.394	DF	2.648	0	Anodyne	ref	DFAARN	O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)CS1(=O)=O	 
CS(=O)(=O)c1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N	ZINC000004099778	64/50/56/286645056	XTHBSZSVUMIAPN-UHFFFAOYSA-N	0	316.426	DF	2.825	0	Mild	ref	DFEARN	CS(=O)(=O)c1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N	 
O=C(Nc1ccccc1)c1ccncc1I	ZINC000004099962	07/35/75/181073575	TUOQFDBOJKYAQL-UHFFFAOYSA-N	0	324.121	DF	2.939	0	Anodyne	ref	DFAARN	O=C(Nc1ccccc1)c1ccncc1I	 
COc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C(=O)O	ZINC000004641518	37/48/59/295374859	FIKRTEMTXXBXTN-UHFFFAOYSA-N	-1	316.269	DF	2.554	0	Bother	ref	DFBARM	COc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]	 
CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl	ZINC000005046088	19/59/85/181195985	OKYGMLYKORRQDU-GXDHUFHOSA-N	0	318.76	DF	2.84	0	Anodyne	ref	DFAARN	CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl	 
CCOCCCN/C(C)=C1\N=C(c2ccc(Cl)cc2)OC1=O	ZINC000006160255	31/73/37/181317337	JUWUNNYJPSSNDG-KAMYIIQDSA-N	0	322.792	DF	2.891	0	Clean	ref	DFCARN	CCOCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O	 
CCOC(=O)/C=C1\NC(C)(C)Cc2cc(OC)c(OC)cc21	ZINC000008577558	27/24/49/276272449	XGUYTBDESFKGJL-LCYFTJDESA-N	0	305.374	DF	2.532	0	Anodyne	ref	DFAARN	CCOC(=O)/C=C1\NC(C)(C)Cc2cc(OC)c(OC)cc21	 
Oc1n[n+](-c2ccc(Br)cc2)cc2ccccc12	ZINC000019872706	39/82/86/285398286	YHYNLNPTJDHTTR-UHFFFAOYSA-O	1	302.151	DF	2.98	0	Clean	ref	DFCARO	O=c1[nH][n+](-c2ccc(Br)cc2)cc2ccccc12	 
O=C1OC(c2ccco2)=N/C1=C\NCc1ccc(Cl)cc1	ZINC000020032626	18/20/05/182182005	PTXVFEUOQFMYKO-XFXZXTDPSA-N	0	302.717	DF	2.868	0	Anodyne	ref	DFAARN	O=C1OC(c2ccco2)=NC1=CNCc1ccc(Cl)cc1	 
O=C1OC(c2ccco2)=N/C1=C\NCc1cccc(Cl)c1	ZINC000020032631	18/24/07/182182407	KNPSXOUEJPAKCL-XFXZXTDPSA-N	0	302.717	DF	2.868	0	Anodyne	ref	DFAARN	O=C1OC(c2ccco2)=NC1=CNCc1cccc(Cl)c1	 
Cc1ccc(S(=O)(=O)OCC(=O)c2ccc(F)cc2)cc1	ZINC000039175504	01/47/74/183014774	NKPCPEMBZAFOGZ-UHFFFAOYSA-N	0	308.33	DF	2.722	0	Mild	ref	DFEARN	Cc1ccc(S(=O)(=O)OCC(=O)c2ccc(F)cc2)cc1	 
NS(=O)(=O)c1ccc(/C=C/C=C/C(=O)c2ccccc2)cc1	ZINC000059282017	13/62/47/184136247	HUWZFVXNSFIUHG-REZHQCRGSA-N	0	313.378	DF	2.786	0	Mild	ref	DFEARN	NS(=O)(=O)c1ccc(/C=C/C=C/C(=O)c2ccccc2)cc1	 
CCOC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000063907152	29/02/08/184290208	HZNZCCFBOOYXDD-UHFFFAOYSA-N	0	318.398	DF	2.823	0	Anodyne	ref	DFAARN	CCOC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1	 
COc1ccc(CN2CCOCC2)nc1-c1ccc(F)cc1	ZINC000068675275	91/93/55/425919355	HIHTVWZAVWBHRU-UHFFFAOYSA-N	1	302.349	DF	2.729	2	Anodyne	low	DFAALO	COc1ccc(C[NH+]2CCOCC2)nc1-c1ccc(F)cc1	 
COc1ccc(CN2CCOCC2)nc1-c1ccc(F)cc1	ZINC000068675275	91/93/54/425919354	HIHTVWZAVWBHRU-UHFFFAOYSA-N	0	302.349	DF	2.729	0	Anodyne	ref	DFAARN	COc1ccc(CN2CCOCC2)nc1-c1ccc(F)cc1	 
Cc1ccc(C(=O)COS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000096316071	61/34/66/193613466	BUIZSQRWHFKMKK-UHFFFAOYSA-N	0	304.367	DF	2.892	0	Mild	ref	DFEARN	Cc1ccc(C(=O)COS(=O)(=O)c2ccc(C)cc2)cc1	 
COc1ccc(C(=O)COS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000096316072	27/21/92/257272192	CPHWARAENVYTNF-UHFFFAOYSA-N	0	320.366	DF	2.592	0	Mild	ref	DFEARN	COc1ccc(C(=O)COS(=O)(=O)c2ccc(C)cc2)cc1	 
CSc1cc(N)nc(-c2ccc(N3CCN(C)CC3)cc2)c1	ZINC000096316078	55/71/37/542557137	ZCTLZZQQAPJRIY-UHFFFAOYSA-N	2	314.458	DF	2.805	2	Anodyne	low	DFAALP	CSc1cc(N)[nH+]c(-c2ccc(N3CC[NH+](C)CC3)cc2)c1	 
CSc1cc(N)nc(-c2ccc(N3CCN(C)CC3)cc2)c1	ZINC000096316078	55/71/34/542557134	ZCTLZZQQAPJRIY-UHFFFAOYSA-N	0	314.458	DF	2.805	1	Anodyne	mid	DFAAMN	CSc1cc(N)nc(-c2ccc(N3CCN(C)CC3)cc2)c1	 
CSc1cc(N)nc(-c2ccc(N3CCN(C)CC3)cc2)c1	ZINC000096316078	55/71/23/542557123	ZCTLZZQQAPJRIY-UHFFFAOYSA-N	1	314.458	DF	2.805	0	Anodyne	ref	DFAARO	CSc1cc(N)nc(-c2ccc(N3CC[NH+](C)CC3)cc2)c1	 
CCOC(=O)[C@@H](C)[C@H](O)c1cc(-c2ccc(Cl)cc2)[nH]n1	ZINC000096316097	41/34/18/426413418	UCPQPKUCXPJAGY-XPTSAGLGSA-N	0	308.765	DF	2.963	0	Anodyne	ref	DFAARN	CCOC(=O)[C@@H](C)[C@H](O)c1cc(-c2ccc(Cl)cc2)n[nH]1	 
CCOC(=O)[C@H](C)[C@H](O)c1cc(-c2ccc(Cl)cc2)[nH]n1	ZINC000096316098	41/41/12/426414112	UCPQPKUCXPJAGY-OTYXRUKQSA-N	0	308.765	DF	2.963	0	Anodyne	ref	DFAARN	CCOC(=O)[C@H](C)[C@H](O)c1cc(-c2ccc(Cl)cc2)n[nH]1	 
CCOC(=O)[C@@H](C)[C@@H](O)c1cc(-c2ccc(Cl)cc2)[nH]n1	ZINC000096316099	41/39/80/426413980	UCPQPKUCXPJAGY-LKFCYVNXSA-N	0	308.765	DF	2.963	0	Anodyne	ref	DFAARN	CCOC(=O)[C@@H](C)[C@@H](O)c1cc(-c2ccc(Cl)cc2)n[nH]1	 
CCOC(=O)[C@H](C)[C@@H](O)c1cc(-c2ccc(Cl)cc2)[nH]n1	ZINC000096316100	41/37/47/426413747	UCPQPKUCXPJAGY-YMTOWFKASA-N	0	308.765	DF	2.963	0	Anodyne	ref	DFAARN	CCOC(=O)[C@H](C)[C@@H](O)c1cc(-c2ccc(Cl)cc2)n[nH]1	 
CC1=CC(=O)/C(=C/Nc2ccccc2Br)C(=O)O1	ZINC000100716115	56/48/42/256564842	WNWJJENMYSRDMZ-CLFYSBASSA-N	0	308.131	DF	2.775	0	Mild	ref	DFEARN	CC1=CC(=O)C(=CNc2ccccc2Br)C(=O)O1	 
COC(=O)CNc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000139186075	02/02/59/186020259	DXZQQCWQWKRAKJ-UHFFFAOYSA-N	0	312.631	DF	2.852	0	Bother	ref	DFBARN	COC(=O)CNc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-]	 
O=C(O)c1cc(Br)cc(C(=O)O)c1Br	ZINC000141426667	22/11/93/304221193	MCBAPDGFMNMXOL-UHFFFAOYSA-N	-2	323.924	DF	2.608	0	Anodyne	ref	DFAARL	O=C([O-])c1cc(Br)cc(C(=O)[O-])c1Br	 
CC/C(NCc1ccc(OC)cc1)=C1\SC(=S)NC1=O	ZINC000239562663	71/37/88/426713788	IZGXZUJNBRCNMM-UHFFFAOYSA-N	-1	308.428	DF	2.554	1	Clean	mid	DFCAMM	CCC(NCc1ccc(OC)cc1)=C1SC(=S)[N-]C1=O	 
CC/C(NCc1ccc(OC)cc1)=C1\SC(=S)NC1=O	ZINC000239562663	71/37/84/426713784	IZGXZUJNBRCNMM-UHFFFAOYSA-N	0	308.428	DF	2.554	0	Clean	ref	DFCARN	CCC(NCc1ccc(OC)cc1)=C1SC(=S)NC1=O	 
CC(C)(C)C1=NS(=O)(=O)c2c(C(=O)O)ccc(Cl)c21	ZINC000239563026	29/95/30/278299530	PXWQNKWYACSAMH-UHFFFAOYSA-N	-1	301.751	DF	2.576	0	Anodyne	ref	DFAARM	CC(C)(C)C1=NS(=O)(=O)c2c(C(=O)[O-])ccc(Cl)c21	 
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=[S@]2c1ccccc1	ZINC000239563088	37/06/27/280370627	VGSDTSNHRDFNOG-LJQANCHMSA-N	0	308.34	DF	2.517	0	Bother	ref	DFBARN	O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=[S@@]2c1ccccc1	 
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=[S@@]2c1ccccc1	ZINC000239563089	71/33/30/426713330	VGSDTSNHRDFNOG-IBGZPJMESA-N	0	308.34	DF	2.517	0	Bother	ref	DFBARN	O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=[S@@]2c1ccccc1	 
CC/C(NCc1ccc(OC)cc1)=C1\SC(=S)NC1=O	ZINC000252488798	25/84/85/257258485	IZGXZUJNBRCNMM-VAWYXSNFSA-N	-1	308.428	DF	2.554	1	Clean	mid	DFCAMM	CCC(NCc1ccc(OC)cc1)=C1SC(=S)[N-]C1=O	 
CC/C(NCc1ccc(OC)cc1)=C1\SC(=S)NC1=O	ZINC000252488798	25/84/84/257258484	IZGXZUJNBRCNMM-VAWYXSNFSA-N	0	308.428	DF	2.554	0	Clean	ref	DFCARN	CCC(NCc1ccc(OC)cc1)=C1SC(=S)NC1=O