N#CC1=C(N)NC(=S)[C@H](C(N)=O)[C@H]1c1ccccc1	ZINC000000048843	61/03/92/263610392	OYQDXAAMRAEMKX-UWVGGRQHSA-N	0	272.333	CC	0.496	0	Reactive	ref	CCGARN	N#CC1=C(N)NC(=S)[C@H](C(N)=O)[C@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)OC12C(=O)c1ccccc1C2=O	ZINC000000053229	93/45/31/276934531	CQPOOHFOZFCRJE-UHFFFAOYSA-N	0	272.212	CC	0.762	0	Mild	ref	CCEARN	CC(=O)C1=C(O)C(=O)OC12C(=O)c1ccccc1C2=O	 
CC(=O)C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1	ZINC000000081607	93/79/93/347937993	LUWSFMQKSQKYTF-LBPRGKRZSA-N	0	261.277	CC	0.963	0	Mild	ref	CCEARN	CC(=O)C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1	ZINC000000081611	93/79/10/347937910	LUWSFMQKSQKYTF-GFCCVEGCSA-N	0	261.277	CC	0.963	0	Mild	ref	CCEARN	CC(=O)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1	 
O=C(O)CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	ZINC000000265614	05/35/56/304053556	OWFOEFGESDNNNR-MNOVXSKESA-N	0	262.309	CC	0.742	1	Anodyne	mid	CCAAMN	O=C([O-])CC[N@@H+]1C[C@@H]2C[C@@H](Cn3c2cccc3=O)C1	 
O=C(O)CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	ZINC000000265614	05/35/50/304053550	OWFOEFGESDNNNR-MNOVXSKESA-N	0	262.309	CC	0.742	0	Anodyne	ref	CCAARN	O=C([O-])CC[N@H+]1C[C@@H]2C[C@@H](Cn3c2cccc3=O)C1	 
Cc1ccc(C[C@@H]2CC(=O)N(CC(=O)O)C2=O)cc1	ZINC000000302460	94/40/14/347944014	PVQBMRARXZDVQT-LLVKDONJSA-N	-1	261.277	CC	0.997	0	Anodyne	ref	CCAARM	Cc1ccc(C[C@@H]2CC(=O)N(CC(=O)[O-])C2=O)cc1	 
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	 
O=C(O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	ZINC000002150851	05/34/31/304053431	OWFOEFGESDNNNR-WDEREUQCSA-N	0	262.309	CC	0.742	1	Anodyne	mid	CCABMN	O=C([O-])CC[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	 
O=C(O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	ZINC000002150851	05/34/27/304053427	OWFOEFGESDNNNR-WDEREUQCSA-N	0	262.309	CC	0.742	0	Anodyne	ref	CCABRN	O=C([O-])CC[N@@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	 
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=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCO	ZINC000004046656	98/92/39/347989239	UXSLLBHVLVVURZ-UHFFFAOYSA-N	0	266.301	CC	0.409	3	Bother	high	CCBAHN	O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCO	 
O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCO	ZINC000004046656	98/92/36/347989236	UXSLLBHVLVVURZ-UHFFFAOYSA-N	1	266.301	CC	0.409	0	Bother	ref	CCBARO	O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCCO	 
O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCOCC1	ZINC000004561403	03/66/86/275036686	DPJQYITZDFYLGA-UHFFFAOYSA-N	0	292.339	CC	0.841	3	Bother	high	CCBAHN	O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCOCC1	 
O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCOCC1	ZINC000004561403	03/66/85/275036685	DPJQYITZDFYLGA-UHFFFAOYSA-N	1	292.339	CC	0.841	0	Bother	ref	CCBARO	O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N1CCOCC1	 
Nc1nnc(N2CCN(c3ccccn3)CC2)s1	ZINC000006062857	00/34/66/348003466	PAMGBFMHWRBCPC-UHFFFAOYSA-N	1	262.342	CC	0.842	2	Anodyne	low	CCAALO	Nc1nnc(N2CCN(c3cccc[nH+]3)CC2)s1	 
Nc1nnc(N2CCN(c3ccccn3)CC2)s1	ZINC000006062857	00/34/62/348003462	PAMGBFMHWRBCPC-UHFFFAOYSA-N	0	262.342	CC	0.842	0	Anodyne	ref	CCAARN	Nc1nnc(N2CCN(c3ccccn3)CC2)s1	 
CCOC(=O)C1CCN(c2nnc(N)s2)CC1	ZINC000006919168	25/55/34/170255534	CQUAOCYSHLFKNJ-UHFFFAOYSA-N	0	256.331	CC	0.9	0	Anodyne	ref	CCAARN	CCOC(=O)C1CCN(c2nnc(N)s2)CC1	 
Nc1nnc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)s1	ZINC000008771129	50/65/12/303506512	RBGWUBVDFNVNBQ-DTWKUNHWSA-N	0	289.364	CC	0.906	0	Anodyne	ref	CCABRN	Nc1nnc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)s1	 
Nc1nnc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)s1	ZINC000008771133	50/69/31/303506931	RBGWUBVDFNVNBQ-BDAKNGLRSA-N	0	289.364	CC	0.906	0	Anodyne	ref	CCAARN	Nc1nnc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)s1	 
Cc1ccc(C[C@H]2CC(=O)N(CC(=O)O)C2=O)cc1	ZINC000019735396	06/82/79/348068279	PVQBMRARXZDVQT-NSHDSACASA-N	-1	261.277	CC	0.997	0	Anodyne	ref	CCAARM	Cc1ccc(C[C@H]2CC(=O)N(CC(=O)[O-])C2=O)cc1	 
CC(=O)C1=C(O)C(=O)N(CCN)[C@@H]1c1ccccc1	ZINC000020314886	14/56/27/171145627	VYYSJPOJQISEPT-GFCCVEGCSA-N	0	260.293	CC	0.93	3	Mild	high	CCEBHN	CC(=O)C1=C(O)C(=O)N(CCN)[C@@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCN)[C@@H]1c1ccccc1	ZINC000020314886	14/56/26/171145626	VYYSJPOJQISEPT-GFCCVEGCSA-N	1	260.293	CC	0.93	0	Mild	ref	CCEBRO	CC(=O)C1=C(O)C(=O)N(CC[NH3+])[C@@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCN)[C@H]1c1ccccc1	ZINC000020314891	14/54/21/171145421	VYYSJPOJQISEPT-LBPRGKRZSA-N	0	260.293	CC	0.93	3	Mild	high	CCEBHN	CC(=O)C1=C(O)C(=O)N(CCN)[C@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCN)[C@H]1c1ccccc1	ZINC000020314891	14/54/19/171145419	VYYSJPOJQISEPT-LBPRGKRZSA-N	1	260.293	CC	0.93	0	Mild	ref	CCEBRO	CC(=O)C1=C(O)C(=O)N(CC[NH3+])[C@H]1c1ccccc1	 
N#CC1=C(N)N=C(S)[C@H](C(N)=O)[C@H]1c1cccs1	ZINC000022130303	94/45/68/269944568	OQOVKSACILJPGE-SFYZADRCSA-N	0	278.362	CC	0.969	0	Reactive	ref	CCGBRN	N#CC1=C(N)NC(=S)[C@H](C(N)=O)[C@H]1c1cccs1	 
O=C(O)c1nnsc1NC(=O)N1CCOCC1	ZINC000022130396	35/47/66/171354766	OCVQCMGWSLJCAE-UHFFFAOYSA-N	-1	258.259	CC	0.1	0	Anodyne	ref	CCABRM	O=C([O-])c1nnsc1NC(=O)N1CCOCC1	 
CN1CCN(C(=O)Nc2snnc2C(=O)O)CC1	ZINC000022130399	35/47/47/171354747	LCLFTHSYGIIWGN-UHFFFAOYSA-N	0	271.302	CC	0.016	1	Anodyne	mid	CCABMN	C[NH+]1CCN(C(=O)Nc2snnc2C(=O)[O-])CC1	 
CN1CCN(C(=O)Nc2snnc2C(=O)O)CC1	ZINC000022130399	35/47/45/171354745	LCLFTHSYGIIWGN-UHFFFAOYSA-N	-1	271.302	CC	0.016	0	Anodyne	ref	CCABRM	CN1CCN(C(=O)Nc2snnc2C(=O)[O-])CC1	 
Cc1c(NCC(=O)O)c(=O)n(-c2ccccc2)n1C	ZINC000033413836	14/63/57/348146357	JAPAHZDLCBHHOS-UHFFFAOYSA-N	-1	261.281	CC	0.981	0	Anodyne	ref	CCABRM	Cc1c(NCC(=O)[O-])c(=O)n(-c2ccccc2)n1C	 
COc1cc2nc(N=C(N)N)nc(C)c2cc1OC	ZINC000033413849	85/82/31/277858231	LGNJKFHNBGHQEP-UHFFFAOYSA-N	1	261.285	CC	0.86	1	Mild	mid	CCEBMO	COc1cc2nc(NC(N)=[NH2+])nc(C)c2cc1OC	 
COc1cc2nc(N=C(N)N)nc(C)c2cc1OC	ZINC000033413849	85/82/29/277858229	LGNJKFHNBGHQEP-UHFFFAOYSA-N	0	261.285	CC	0.86	0	Mild	ref	CCEBRN	COc1cc2nc(NC(=N)N)nc(C)c2cc1OC	 
O=C(Nc1snnc1C(=O)O)c1ccncc1	ZINC000096319551	77/18/22/264771822	GNXLKACZYPJJLP-UHFFFAOYSA-N	-1	250.239	CC	0.884	0	Anodyne	ref	CCAARM	O=C(Nc1snnc1C(=O)[O-])c1ccncc1	 
COc1ccccc1N1C(=O)NC(=O)[C@@H](C(C)=O)C1=O	ZINC000100316063	65/73/08/349657308	IMGPCNXWRDKGGY-SNVBAGLBSA-N	0	276.248	CC	0.483	2	Anodyne	low	CCABLN	COc1ccccc1-n1c(O)c(C(C)=O)c(=O)[nH]c1=O	 
COc1ccccc1N1C(=O)NC(=O)[C@@H](C(C)=O)C1=O	ZINC000100316063	65/73/07/349657307	IMGPCNXWRDKGGY-SNVBAGLBSA-N	-1	276.248	CC	0.483	1	Anodyne	mid	CCABMM	COc1ccccc1-n1c([O-])c(C(C)=O)c(=O)[nH]c1=O	 
COc1ccccc1N1C(=O)NC(=O)[C@@H](C(C)=O)C1=O	ZINC000100316063	65/73/05/349657305	IMGPCNXWRDKGGY-SNVBAGLBSA-N	-1	276.248	CC	0.483	0	Anodyne	ref	CCABRM	COc1ccccc1-n1c(=O)[nH]c([O-])c(C(C)=O)c1=O	 
COc1ccccc1N1C(=O)NC(=O)[C@H](C(C)=O)C1=O	ZINC000100316067	65/70/86/349657086	IMGPCNXWRDKGGY-JTQLQIEISA-N	0	276.248	CC	0.483	2	Anodyne	low	CCABLN	COc1ccccc1-n1c(O)c(C(C)=O)c(=O)[nH]c1=O	 
COc1ccccc1N1C(=O)NC(=O)[C@H](C(C)=O)C1=O	ZINC000100316067	65/70/81/349657081	IMGPCNXWRDKGGY-JTQLQIEISA-N	-1	276.248	CC	0.483	1	Anodyne	mid	CCABMM	COc1ccccc1-n1c([O-])c(C(C)=O)c(=O)[nH]c1=O	 
COc1ccccc1N1C(=O)NC(=O)[C@H](C(C)=O)C1=O	ZINC000100316067	65/70/73/349657073	IMGPCNXWRDKGGY-JTQLQIEISA-N	-1	276.248	CC	0.483	0	Anodyne	ref	CCABRM	COc1ccccc1-n1c(=O)[nH]c([O-])c(C(C)=O)c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)[C@@H](C(C)=O)C1=O	ZINC000100316071	65/71/20/349657120	ROAOZDOBAUTICX-LLVKDONJSA-N	0	290.275	CC	0.873	2	Anodyne	low	CCAALN	CCOc1ccccc1-n1c(O)c(C(C)=O)c(=O)[nH]c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)[C@@H](C(C)=O)C1=O	ZINC000100316071	65/71/15/349657115	ROAOZDOBAUTICX-LLVKDONJSA-N	-1	290.275	CC	0.873	1	Anodyne	mid	CCAAMM	CCOc1ccccc1-n1c([O-])c(C(C)=O)c(=O)[nH]c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)[C@@H](C(C)=O)C1=O	ZINC000100316071	65/71/10/349657110	ROAOZDOBAUTICX-LLVKDONJSA-N	-1	290.275	CC	0.873	0	Anodyne	ref	CCAARM	CCOc1ccccc1-n1c(=O)[nH]c([O-])c(C(C)=O)c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)[C@H](C(C)=O)C1=O	ZINC000100316075	65/68/29/349656829	ROAOZDOBAUTICX-NSHDSACASA-N	0	290.275	CC	0.873	2	Anodyne	low	CCAALN	CCOc1ccccc1-n1c(O)c(C(C)=O)c(=O)[nH]c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)[C@H](C(C)=O)C1=O	ZINC000100316075	65/68/25/349656825	ROAOZDOBAUTICX-NSHDSACASA-N	-1	290.275	CC	0.873	1	Anodyne	mid	CCAAMM	CCOc1ccccc1-n1c([O-])c(C(C)=O)c(=O)[nH]c1=O	 
CCOc1ccccc1N1C(=O)NC(=O)[C@H](C(C)=O)C1=O	ZINC000100316075	65/68/12/349656812	ROAOZDOBAUTICX-NSHDSACASA-N	-1	290.275	CC	0.873	0	Anodyne	ref	CCAARM	CCOc1ccccc1-n1c(=O)[nH]c([O-])c(C(C)=O)c1=O	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000100316112	65/72/76/349657276	ABSJRFMVBLONRB-SNVBAGLBSA-N	0	260.249	CC	0.783	2	Anodyne	low	CCAALN	CC(=O)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000100316112	65/72/73/349657273	ABSJRFMVBLONRB-SNVBAGLBSA-N	-1	260.249	CC	0.783	1	Anodyne	mid	CCAAMM	CC(=O)c1c([O-])n(-c2ccccc2C)c(=O)[nH]c1=O	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000100316112	65/72/71/349657271	ABSJRFMVBLONRB-SNVBAGLBSA-N	-1	260.249	CC	0.783	0	Anodyne	ref	CCAARM	CC(=O)c1c([O-])[nH]c(=O)n(-c2ccccc2C)c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000100316117	65/72/89/349657289	ABSJRFMVBLONRB-JTQLQIEISA-N	0	260.249	CC	0.783	2	Anodyne	low	CCAALN	CC(=O)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000100316117	65/72/86/349657286	ABSJRFMVBLONRB-JTQLQIEISA-N	-1	260.249	CC	0.783	1	Anodyne	mid	CCAAMM	CC(=O)c1c([O-])n(-c2ccccc2C)c(=O)[nH]c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000100316117	65/72/85/349657285	ABSJRFMVBLONRB-JTQLQIEISA-N	-1	260.249	CC	0.783	0	Anodyne	ref	CCAARM	CC(=O)c1c([O-])[nH]c(=O)n(-c2ccccc2C)c1=O	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000100316118	52/41/59/136524159	XWINXVOPWZDRAY-SECBINFHSA-N	-1	264.212	CC	0.614	1	Anodyne	mid	CCAAMM	CC(=O)c1c([O-])n(-c2ccccc2F)c(=O)[nH]c1=O	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000100316118	52/41/58/136524158	XWINXVOPWZDRAY-SECBINFHSA-N	-1	264.212	CC	0.614	0	Anodyne	ref	CCAARM	CC(=O)c1c([O-])[nH]c(=O)n(-c2ccccc2F)c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000100316121	65/68/40/349656840	XWINXVOPWZDRAY-VIFPVBQESA-N	-1	264.212	CC	0.614	1	Anodyne	mid	CCAAMM	CC(=O)c1c([O-])n(-c2ccccc2F)c(=O)[nH]c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000100316121	65/68/35/349656835	XWINXVOPWZDRAY-VIFPVBQESA-N	-1	264.212	CC	0.614	0	Anodyne	ref	CCAARM	CC(=O)c1c([O-])[nH]c(=O)n(-c2ccccc2F)c1=O	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2cccc(F)c2)C1=O	ZINC000100316125	65/71/88/349657188	PFVNKLREUUMAKX-SECBINFHSA-N	-1	264.212	CC	0.614	1	Anodyne	mid	CCAAMM	CC(=O)c1c([O-])n(-c2cccc(F)c2)c(=O)[nH]c1=O	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2cccc(F)c2)C1=O	ZINC000100316125	65/71/84/349657184	PFVNKLREUUMAKX-SECBINFHSA-N	-1	264.212	CC	0.614	0	Anodyne	ref	CCAARM	CC(=O)c1c([O-])[nH]c(=O)n(-c2cccc(F)c2)c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2cccc(F)c2)C1=O	ZINC000100316129	65/72/27/349657227	PFVNKLREUUMAKX-VIFPVBQESA-N	-1	264.212	CC	0.614	1	Anodyne	mid	CCAAMM	CC(=O)c1c([O-])n(-c2cccc(F)c2)c(=O)[nH]c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2cccc(F)c2)C1=O	ZINC000100316129	65/72/25/349657225	PFVNKLREUUMAKX-VIFPVBQESA-N	-1	264.212	CC	0.614	0	Anodyne	ref	CCAARM	CC(=O)c1c([O-])[nH]c(=O)n(-c2cccc(F)c2)c1=O	 
CCOc1ccc(N2C(=O)NC(=O)[C@@H](C(C)=O)C2=O)cc1	ZINC000100316133	65/73/03/349657303	RVUMEGCPDHRVAW-LLVKDONJSA-N	0	290.275	CC	0.873	2	Anodyne	low	CCABLN	CCOc1ccc(-n2c(O)c(C(C)=O)c(=O)[nH]c2=O)cc1	 
CCOc1ccc(N2C(=O)NC(=O)[C@@H](C(C)=O)C2=O)cc1	ZINC000100316133	65/73/02/349657302	RVUMEGCPDHRVAW-LLVKDONJSA-N	-1	290.275	CC	0.873	1	Anodyne	mid	CCABMM	CCOc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1	 
CCOc1ccc(N2C(=O)NC(=O)[C@@H](C(C)=O)C2=O)cc1	ZINC000100316133	65/73/00/349657300	RVUMEGCPDHRVAW-LLVKDONJSA-N	-1	290.275	CC	0.873	0	Anodyne	ref	CCABRM	CCOc1ccc(-n2c(=O)[nH]c([O-])c(C(C)=O)c2=O)cc1	 
CCOc1ccc(N2C(=O)NC(=O)[C@H](C(C)=O)C2=O)cc1	ZINC000100316138	65/71/80/349657180	RVUMEGCPDHRVAW-NSHDSACASA-N	0	290.275	CC	0.873	2	Anodyne	low	CCABLN	CCOc1ccc(-n2c(O)c(C(C)=O)c(=O)[nH]c2=O)cc1	 
CCOc1ccc(N2C(=O)NC(=O)[C@H](C(C)=O)C2=O)cc1	ZINC000100316138	65/71/76/349657176	RVUMEGCPDHRVAW-NSHDSACASA-N	-1	290.275	CC	0.873	1	Anodyne	mid	CCABMM	CCOc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1	 
CCOc1ccc(N2C(=O)NC(=O)[C@H](C(C)=O)C2=O)cc1	ZINC000100316138	65/71/69/349657169	RVUMEGCPDHRVAW-NSHDSACASA-N	-1	290.275	CC	0.873	0	Anodyne	ref	CCABRM	CCOc1ccc(-n2c(=O)[nH]c([O-])c(C(C)=O)c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)[C@@H](C(C)=O)C2=O)cc1	ZINC000100316144	65/71/54/349657154	WWINABMEKVBWOZ-SNVBAGLBSA-N	0	276.248	CC	0.483	2	Anodyne	low	CCAALN	COc1ccc(-n2c(O)c(C(C)=O)c(=O)[nH]c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)[C@@H](C(C)=O)C2=O)cc1	ZINC000100316144	65/71/52/349657152	WWINABMEKVBWOZ-SNVBAGLBSA-N	-1	276.248	CC	0.483	1	Anodyne	mid	CCAAMM	COc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)[C@@H](C(C)=O)C2=O)cc1	ZINC000100316144	65/71/47/349657147	WWINABMEKVBWOZ-SNVBAGLBSA-N	-1	276.248	CC	0.483	0	Anodyne	ref	CCAARM	COc1ccc(-n2c(=O)[nH]c([O-])c(C(C)=O)c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)[C@H](C(C)=O)C2=O)cc1	ZINC000100316146	65/71/04/349657104	WWINABMEKVBWOZ-JTQLQIEISA-N	0	276.248	CC	0.483	2	Anodyne	low	CCAALN	COc1ccc(-n2c(O)c(C(C)=O)c(=O)[nH]c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)[C@H](C(C)=O)C2=O)cc1	ZINC000100316146	65/70/98/349657098	WWINABMEKVBWOZ-JTQLQIEISA-N	-1	276.248	CC	0.483	1	Anodyne	mid	CCAAMM	COc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)[C@H](C(C)=O)C2=O)cc1	ZINC000100316146	65/70/91/349657091	WWINABMEKVBWOZ-JTQLQIEISA-N	-1	276.248	CC	0.483	0	Anodyne	ref	CCAARM	COc1ccc(-n2c(=O)[nH]c([O-])c(C(C)=O)c2=O)cc1	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000100316154	65/72/47/349657247	FRZIVNBKKWBHHE-SNVBAGLBSA-N	0	260.249	CC	0.783	2	Anodyne	low	CCAALN	CC(=O)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000100316154	65/72/46/349657246	FRZIVNBKKWBHHE-SNVBAGLBSA-N	-1	260.249	CC	0.783	1	Anodyne	mid	CCAAMM	CC(=O)c1c([O-])n(-c2ccc(C)cc2)c(=O)[nH]c1=O	 
CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000100316154	65/72/43/349657243	FRZIVNBKKWBHHE-SNVBAGLBSA-N	-1	260.249	CC	0.783	0	Anodyne	ref	CCAARM	CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000100316158	65/72/34/349657234	FRZIVNBKKWBHHE-JTQLQIEISA-N	0	260.249	CC	0.783	2	Anodyne	low	CCAALN	CC(=O)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000100316158	65/72/31/349657231	FRZIVNBKKWBHHE-JTQLQIEISA-N	-1	260.249	CC	0.783	1	Anodyne	mid	CCAAMM	CC(=O)c1c([O-])n(-c2ccc(C)cc2)c(=O)[nH]c1=O	 
CC(=O)[C@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000100316158	65/72/29/349657229	FRZIVNBKKWBHHE-JTQLQIEISA-N	-1	260.249	CC	0.783	0	Anodyne	ref	CCAARM	CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O	 
O=C(c1ccc(F)cc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000261338442	03/90/38/190039038	AGWNUFKODHLMEU-NWDGAFQWSA-N	1	298.339	CC	0.037	2	Anodyne	low	CCABLO	O=C(c1ccc(F)cc1)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
O=C(c1ccc(F)cc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000261338442	03/90/37/190039037	AGWNUFKODHLMEU-NWDGAFQWSA-N	0	298.339	CC	0.037	0	Anodyne	ref	CCABRN	O=C(c1ccc(F)cc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1cccs1	ZINC000261338484	03/91/85/190039185	KGQCWUAIXBCIPJ-WDEREUQCSA-N	0	272.395	CC	0.319	1	Anodyne	mid	CCABMN	O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1cccs1	 
O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1cccs1	ZINC000261338484	03/91/84/190039184	KGQCWUAIXBCIPJ-WDEREUQCSA-N	1	272.395	CC	0.319	0	Anodyne	ref	CCABRO	O=S1(=O)C[C@@H]2[C@H](C1)[NH2+]CCN2Cc1cccs1	 
Cc1ccc(CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000261338494	03/93/27/190039327	NCKNYMPEHFMZOX-UONOGXRCSA-N	0	280.393	CC	0.566	1	Anodyne	mid	CCABMN	Cc1ccc(CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1	 
Cc1ccc(CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000261338494	03/93/26/190039326	NCKNYMPEHFMZOX-UONOGXRCSA-N	1	280.393	CC	0.566	0	Anodyne	ref	CCABRO	Cc1ccc(CN2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc1	 
O=C(Nc1ccccc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000261338519	03/94/43/190039443	UMDBFPXENSTRPH-NWDGAFQWSA-N	1	295.364	CC	0.289	2	Anodyne	low	CCABLO	O=C(Nc1ccccc1)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
O=C(Nc1ccccc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000261338519	03/94/42/190039442	UMDBFPXENSTRPH-NWDGAFQWSA-N	0	295.364	CC	0.289	0	Anodyne	ref	CCABRN	O=C(Nc1ccccc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
COc1ccc(CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000261338538	03/93/12/190039312	YOXBREMGJGUYQS-UONOGXRCSA-N	0	296.392	CC	0.266	1	Anodyne	mid	CCABMN	COc1ccc(CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1	 
COc1ccc(CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000261338538	03/93/11/190039311	YOXBREMGJGUYQS-UONOGXRCSA-N	1	296.392	CC	0.266	0	Anodyne	ref	CCABRO	COc1ccc(CN2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc1	 
COC(=O)c1nnn(-c2ccc(F)cc2)c1-c1c[nH]nn1	ZINC000261361169	03/90/19/190039019	JUDBORVLDILZTN-UHFFFAOYSA-N	0	288.242	CC	0.978	1	Anodyne	mid	CCABMN	COC(=O)c1nnn(-c2ccc(F)cc2)c1-c1c[nH]nn1	 
COC(=O)c1nnn(-c2ccc(F)cc2)c1-c1c[nH]nn1	ZINC000261361169	03/90/18/190039018	JUDBORVLDILZTN-UHFFFAOYSA-N	0	288.242	CC	0.978	0	Anodyne	ref	CCABRN	COC(=O)c1nnn(-c2ccc(F)cc2)c1-c1cn[nH]n1