COc1nccnc1NS(=O)(=O)c1ccc(N)cc1	ZINC000000002097	93/63/72/347936372	KXRZBTAEDBELFD-UHFFFAOYSA-N	0	280.309	CC	0.868	2	Anodyne	low	CCAALN	COc1nccnc1NS(=O)(=O)c1ccc(N)cc1	world
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1	ZINC000000002097	93/63/67/347936367	KXRZBTAEDBELFD-UHFFFAOYSA-N	-1	280.309	CC	0.868	0	Anodyne	ref	CCAARM	COc1nccnc1[N-]S(=O)(=O)c1ccc(N)cc1	world
CN1C(=O)C[C@H](NCc2ccc3c(c2)OCO3)C1=O	ZINC000000049269	93/72/06/347937206	JXTAMOLJHDFRAZ-VIFPVBQESA-N	0	262.265	CC	0.262	1	Anodyne	mid	CCAAMN	CN1C(=O)C[C@H](NCc2ccc3c(c2)OCO3)C1=O	 
CN1C(=O)C[C@H](NCc2ccc3c(c2)OCO3)C1=O	ZINC000000049269	93/72/05/347937205	JXTAMOLJHDFRAZ-VIFPVBQESA-N	1	262.265	CC	0.262	0	Anodyne	ref	CCAARO	CN1C(=O)C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1=O	 
O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082267	93/83/42/347938342	DUANFASSZWBAOS-CYBMUJFWSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082267	93/83/40/347938340	DUANFASSZWBAOS-CYBMUJFWSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082267	93/83/37/347938337	DUANFASSZWBAOS-CYBMUJFWSA-N	-1	276.336	CC	0.894	0	Anodyne	ref	CCAARM	O=C([O-])C[C@@H]1C(=O)NCCN1CCCc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082278	93/83/71/347938371	DUANFASSZWBAOS-ZDUSSCGKSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082278	93/83/69/347938369	DUANFASSZWBAOS-ZDUSSCGKSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082278	93/83/65/347938365	DUANFASSZWBAOS-ZDUSSCGKSA-N	-1	276.336	CC	0.894	0	Anodyne	ref	CCAARM	O=C([O-])C[C@H]1C(=O)NCCN1CCCc1ccccc1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000082349	93/78/63/347937863	JFUFURNMLIXMKG-GFCCVEGCSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000082349	93/78/61/347937861	JFUFURNMLIXMKG-GFCCVEGCSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000082349	93/78/52/347937852	JFUFURNMLIXMKG-GFCCVEGCSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000082355	93/82/06/347938206	JFUFURNMLIXMKG-LBPRGKRZSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000082355	93/82/05/347938205	JFUFURNMLIXMKG-LBPRGKRZSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000082355	93/82/02/347938202	JFUFURNMLIXMKG-LBPRGKRZSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1	ZINC000000168616	94/05/58/347940558	ZQKMWRGUSKTUKM-UWVGGRQHSA-N	-1	253.229	CC	0.486	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1	 
O=C(O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1	ZINC000000168617	56/19/41/169561941	ZQKMWRGUSKTUKM-VHSXEESVSA-N	-1	253.229	CC	0.486	0	Anodyne	ref	CCAARM	O=C([O-])[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1	 
O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1	ZINC000000168620	94/08/37/347940837	ZQKMWRGUSKTUKM-ZJUUUORDSA-N	-1	253.229	CC	0.486	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1	 
O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1	ZINC000000168622	20/26/34/304202634	ZQKMWRGUSKTUKM-NXEZZACHSA-N	-1	253.229	CC	0.486	0	Anodyne	ref	CCAARM	O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1	 
N#Cc1nn(-c2c(F)cccc2F)c(=O)[nH]c1=O	ZINC000000169720	21/90/50/303219050	GLGVHJRUYMEAID-UHFFFAOYSA-N	-1	250.164	CC	0.071	0	Mild	ref	CCEARM	N#Cc1nn(-c2c(F)cccc2F)c(=O)[n-]c1=O	 
CNC[C@H](O)CN1CCN(c2ccccc2OC)CC1	ZINC000000227549	94/23/62/347942362	AJBTULAKPQTSBZ-ZDUSSCGKSA-N	2	279.384	CC	0.398	2	Anodyne	low	CCAALP	C[NH2+]C[C@H](O)C[NH+]1CCN(c2ccccc2OC)CC1	 
CNC[C@H](O)CN1CCN(c2ccccc2OC)CC1	ZINC000000227549	94/23/56/347942356	AJBTULAKPQTSBZ-ZDUSSCGKSA-N	1	279.384	CC	0.398	0	Anodyne	ref	CCAARO	C[NH2+]C[C@H](O)CN1CCN(c2ccccc2OC)CC1	 
CNC[C@@H](O)CN1CCN(c2ccccc2OC)CC1	ZINC000000227553	94/24/17/347942417	AJBTULAKPQTSBZ-CYBMUJFWSA-N	2	279.384	CC	0.398	2	Anodyne	low	CCAALP	C[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccccc2OC)CC1	 
CNC[C@@H](O)CN1CCN(c2ccccc2OC)CC1	ZINC000000227553	94/24/13/347942413	AJBTULAKPQTSBZ-CYBMUJFWSA-N	1	279.384	CC	0.398	0	Anodyne	ref	CCAARO	C[NH2+]C[C@@H](O)CN1CCN(c2ccccc2OC)CC1	 
NC1=NC(=O)C2(COC(c3cccnc3)OC2)S1	ZINC000000248961	94/33/82/347943382	UWWGZGFIVKNSPJ-UHFFFAOYSA-N	0	265.294	CC	0.454	0	Anodyne	ref	CCAARN	NC1=NC(=O)C2(COC(c3cccnc3)OC2)S1	 
CN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1	ZINC000000275382	94/34/52/347943452	GTJAJCVRIVTFGC-UHFFFAOYSA-N	0	284.337	CC	0.321	2	Anodyne	low	CCAALN	C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	 
CN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1	ZINC000000275382	94/34/46/347943446	GTJAJCVRIVTFGC-UHFFFAOYSA-N	-1	284.337	CC	0.321	0	Anodyne	ref	CCAARM	CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	 
Nc1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)O)cc1	ZINC000000306175	94/42/60/347944260	LWDFZAVDBWZJDQ-VIFPVBQESA-N	-1	288.35	CC	0.417	0	Anodyne	ref	CCAARM	Nc1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)[O-])cc1	 
Nc1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)O)cc1	ZINC000000306178	94/39/85/347943985	LWDFZAVDBWZJDQ-SECBINFHSA-N	-1	288.35	CC	0.417	0	Anodyne	ref	CCAARM	Nc1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)[O-])cc1	 
CC(C)COc1ccccc1C(=O)N[C@@H](CO)C(=O)O	ZINC000000340739	61/13/21/169611321	ANAOXQPNAIEGRU-NSHDSACASA-N	-1	281.308	CC	0.897	0	Anodyne	ref	CCAARM	CC(C)COc1ccccc1C(=O)N[C@@H](CO)C(=O)[O-]	 
CC(C)COc1ccccc1C(=O)N[C@H](CO)C(=O)O	ZINC000000340741	94/52/92/347945292	ANAOXQPNAIEGRU-LLVKDONJSA-N	-1	281.308	CC	0.897	0	Anodyne	ref	CCAARM	CC(C)COc1ccccc1C(=O)N[C@H](CO)C(=O)[O-]	 
Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1c1ccccc1	ZINC000000341455	60/86/40/282608640	JLJMDTWFIVXJPV-UHFFFAOYSA-N	0	297.318	CC	0.965	0	Anodyne	ref	CCAARN	Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1c1ccccc1	 
CCOc1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1	ZINC000000344019	94/50/40/347945040	BXTMOOUVMOFGQA-KCJUWKMLSA-N	-1	267.281	CC	0.649	0	Anodyne	ref	CCAARM	CCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1	 
CCOc1ccc(C(=O)N[C@@H](C(=O)O)[C@@H](C)O)cc1	ZINC000000344021	94/50/61/347945061	BXTMOOUVMOFGQA-LDYMZIIASA-N	-1	267.281	CC	0.649	0	Anodyne	ref	CCAARM	CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1	 
CCOc1ccc(C(=O)N[C@H](C(=O)O)[C@H](C)O)cc1	ZINC000000344022	94/48/51/347944851	BXTMOOUVMOFGQA-KWQFWETISA-N	-1	267.281	CC	0.649	0	Anodyne	ref	CCAARM	CCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1	 
CCOc1ccc(C(=O)N[C@@H](C(=O)O)[C@H](C)O)cc1	ZINC000000344024	61/25/18/169612518	BXTMOOUVMOFGQA-GZMMTYOYSA-N	-1	267.281	CC	0.649	0	Anodyne	ref	CCAARM	CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1	 
Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN1c1ccccc1	ZINC000000364220	94/50/32/347945032	VBCHMJILTBNAEJ-UHFFFAOYSA-N	0	283.291	CC	0.575	0	Anodyne	ref	CCAARN	Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN1c1ccccc1	 
Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1	ZINC000000367872	75/31/87/388753187	UZIMMJMXSWGJRN-UHFFFAOYSA-N	0	295.302	CC	0.974	0	Anodyne	ref	CCAARN	Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1	 
C=CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	ZINC000000369910	43/52/64/275435264	GNCMXCGTXLKHJF-UHFFFAOYSA-N	0	299.128	CC	0.382	0	Mild	ref	CCEARN	C=CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	 
Nc1ccc(-c2nnn(CC(=O)NC3CCCC3)n2)cc1	ZINC000000413981	94/64/20/347946420	BJJHIJIDQVYGRE-UHFFFAOYSA-N	0	286.339	CC	0.981	0	Anodyne	ref	CCAARN	Nc1ccc(-c2nnn(CC(=O)NC3CCCC3)n2)cc1	 
Cc1cc(NC(=O)Cn2nnc(-c3ccc(N)cc3)n2)no1	ZINC000000413982	94/68/81/347946881	KWRKZOVHYGIXIE-UHFFFAOYSA-N	0	299.294	CC	0.857	0	Anodyne	ref	CCAARN	Cc1cc(NC(=O)Cn2nnc(-c3ccc(N)cc3)n2)no1	 
Cc1cc(NC(=O)Cn2nnc(-c3ccccc3N)n2)no1	ZINC000000414504	94/66/54/347946654	ABUHSDOPNYVFIV-UHFFFAOYSA-N	0	299.294	CC	0.857	0	Anodyne	ref	CCAARN	Cc1cc(NC(=O)Cn2nnc(-c3ccccc3N)n2)no1	 
CC1CCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1	ZINC000000527003	19/91/40/276199140	BTKOXLOMOVGGLU-UHFFFAOYSA-N	1	291.355	CC	0.192	2	Anodyne	low	CCAALO	CC1CC[NH+](Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1	 
CC1CCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1	ZINC000000527003	19/91/37/276199137	BTKOXLOMOVGGLU-UHFFFAOYSA-N	0	291.355	CC	0.192	0	Anodyne	ref	CCAARN	CC1CCN(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1	 
C[C@H]1CCCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1	ZINC000000527048	75/35/21/388753521	IZUKVRFMFXCYCK-VIFPVBQESA-N	1	291.355	CC	0.192	2	Anodyne	low	CCAALO	C[C@H]1CCC[N@@H+](Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)C1	 
C[C@H]1CCCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1	ZINC000000527048	75/35/16/388753516	IZUKVRFMFXCYCK-VIFPVBQESA-N	1	291.355	CC	0.192	2	Anodyne	low	CCAALO	C[C@H]1CCC[N@H+](Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)C1	 
C[C@H]1CCCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1	ZINC000000527048	75/35/11/388753511	IZUKVRFMFXCYCK-VIFPVBQESA-N	0	291.355	CC	0.192	0	Anodyne	ref	CCAARN	C[C@H]1CCCN(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)C1	 
C[C@@H]1CCCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1	ZINC000000527049	94/92/31/347949231	IZUKVRFMFXCYCK-SECBINFHSA-N	1	291.355	CC	0.192	2	Anodyne	low	CCAALO	C[C@@H]1CCC[N@@H+](Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)C1	 
C[C@@H]1CCCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1	ZINC000000527049	94/92/27/347949227	IZUKVRFMFXCYCK-SECBINFHSA-N	1	291.355	CC	0.192	2	Anodyne	low	CCAALO	C[C@@H]1CCC[N@H+](Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)C1	 
C[C@@H]1CCCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1	ZINC000000527049	94/92/20/347949220	IZUKVRFMFXCYCK-SECBINFHSA-N	0	291.355	CC	0.192	0	Anodyne	ref	CCAARN	C[C@@H]1CCCN(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)C1	 
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	 
CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000556193	95/06/81/347950681	UFAPTAYBYWFFKM-CYBMUJFWSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000556193	95/06/80/347950680	UFAPTAYBYWFFKM-CYBMUJFWSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000556193	95/06/78/347950678	UFAPTAYBYWFFKM-CYBMUJFWSA-N	-1	292.335	CC	0.86	0	Anodyne	ref	CCAARM	CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000556195	95/03/58/347950358	UFAPTAYBYWFFKM-ZDUSSCGKSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000556195	95/03/55/347950355	UFAPTAYBYWFFKM-ZDUSSCGKSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000556195	95/03/48/347950348	UFAPTAYBYWFFKM-ZDUSSCGKSA-N	-1	292.335	CC	0.86	0	Anodyne	ref	CCAARM	CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
CS(=O)(=O)N(CCc1ccccc1)CC(=O)O	ZINC000000619800	67/68/25/169676825	QQTJBZYKDDCHIV-UHFFFAOYSA-N	-1	257.311	CC	0.575	0	Anodyne	ref	CCAARM	CS(=O)(=O)N(CCc1ccccc1)CC(=O)[O-]	 
CN1CCN(c2ccc(N)c(N3CCN(C)CC3)c2)CC1	ZINC000000783310	95/13/17/347951317	KAJCFZUIUCDMNV-UHFFFAOYSA-N	0	289.427	CC	0.772	3	Anodyne	high	CCAAHN	CN1CCN(c2ccc(N)c(N3CCN(C)CC3)c2)CC1	 
CN1CCN(c2ccc(N)c(N3CCN(C)CC3)c2)CC1	ZINC000000783310	95/13/16/347951316	KAJCFZUIUCDMNV-UHFFFAOYSA-N	1	289.427	CC	0.772	1	Anodyne	mid	CCAAMO	CN1CCN(c2cc(N3CC[NH+](C)CC3)ccc2N)CC1	 
CN1CCN(c2ccc(N)c(N3CCN(C)CC3)c2)CC1	ZINC000000783310	95/13/13/347951313	KAJCFZUIUCDMNV-UHFFFAOYSA-N	2	289.427	CC	0.772	0	Anodyne	ref	CCAARP	C[NH+]1CCN(c2ccc(N)c(N3CC[NH+](C)CC3)c2)CC1	 
C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)O	ZINC000000796505	95/13/38/347951338	ULDXJXWXLCPYOY-OIBJUYFYSA-N	-1	251.238	CC	0.416	0	Anodyne	ref	CCAARM	C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-]	 
C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)O	ZINC000000796506	95/12/78/347951278	ULDXJXWXLCPYOY-GMSGAONNSA-N	-1	251.238	CC	0.416	0	Anodyne	ref	CCAARM	C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-]	 
C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)O	ZINC000000796507	95/13/83/347951383	ULDXJXWXLCPYOY-XVKPBYJWSA-N	-1	251.238	CC	0.416	0	Anodyne	ref	CCAARM	C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-]	 
C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)O	ZINC000000796508	95/13/11/347951311	ULDXJXWXLCPYOY-XCBNKYQSSA-N	-1	251.238	CC	0.416	0	Anodyne	ref	CCAARM	C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-]	 
CCN(CC)C(=O)Cn1nnc(-c2ccc(N)cc2)n1	ZINC000000873682	95/25/33/347952533	JFIGFZCGKRODJX-UHFFFAOYSA-N	0	274.328	CC	0.791	0	Anodyne	ref	CCAARN	CCN(CC)C(=O)Cn1nnc(-c2ccc(N)cc2)n1	 
Nc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1	ZINC000000873683	68/16/84/169681684	QJCDQGSZXLWSJG-UHFFFAOYSA-N	0	286.339	CC	0.935	0	Anodyne	ref	CCAARN	Nc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1	 
Nc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1	ZINC000000873685	68/15/19/169681519	YHQGUEYCDLJEPR-UHFFFAOYSA-N	0	272.312	CC	0.545	0	Anodyne	ref	CCAARN	Nc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1	 
CC(C)(C)NC(=O)Cn1nnc(-c2ccc(N)cc2)n1	ZINC000000873686	68/16/30/169681630	LKXQNPJYUKURCT-UHFFFAOYSA-N	0	274.328	CC	0.837	0	Anodyne	ref	CCAARN	CC(C)(C)NC(=O)Cn1nnc(-c2ccc(N)cc2)n1	 
CC(C)Oc1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1	ZINC000000873844	95/22/22/347952222	WZVNTXRARUSIKN-NSHDSACASA-N	-1	267.281	CC	0.649	0	Anodyne	ref	CCAARM	CC(C)Oc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1	 
CC(C)Oc1ccc(C(=O)N[C@H](CO)C(=O)O)cc1	ZINC000000873846	95/25/63/347952563	WZVNTXRARUSIKN-LLVKDONJSA-N	-1	267.281	CC	0.649	0	Anodyne	ref	CCAARM	CC(C)Oc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1	 
N#Cc1c(-c2ccc(F)cc2)c(C#N)c(=O)n(N)c1N	ZINC000001030545	07/74/99/283077499	QNFCITDQMQJEKS-UHFFFAOYSA-N	0	269.239	CC	0.694	0	Mild	ref	CCEARN	N#Cc1c(-c2ccc(F)cc2)c(C#N)c(=O)n(N)c1N	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1	ZINC000001236656	95/31/97/347953197	WZNUTYXPWKUFMM-SNVBAGLBSA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1	ZINC000001236656	95/31/95/347953195	WZNUTYXPWKUFMM-SNVBAGLBSA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1	ZINC000001236656	95/31/92/347953192	WZNUTYXPWKUFMM-SNVBAGLBSA-N	-1	252.27	CC	0.363	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1	ZINC000001236658	95/32/81/347953281	WZNUTYXPWKUFMM-JTQLQIEISA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1	ZINC000001236658	95/32/80/347953280	WZNUTYXPWKUFMM-JTQLQIEISA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1	ZINC000001236658	95/32/77/347953277	WZNUTYXPWKUFMM-JTQLQIEISA-N	-1	252.27	CC	0.363	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])o1	 
O=C(O)c1cccc(/N=C2\N=C(O)C(CO)(CO)S2)c1	ZINC000001267340	95/33/92/347953392	YVNXITBDGKFFOL-UHFFFAOYSA-N	-1	296.304	CC	0.799	0	Mild	ref	CCEARM	O=C([O-])c1cccc(N=C2NC(=O)C(CO)(CO)S2)c1	 
CN1CCN(c2ncc(Br)cn2)CC1	ZINC000001495469	11/43/73/277114373	PRYPBGVWKANVLV-UHFFFAOYSA-N	1	257.135	CC	0.991	1	Anodyne	mid	CCAAMO	C[NH+]1CCN(c2ncc(Br)cn2)CC1	 
CN1CCN(c2ncc(Br)cn2)CC1	ZINC000001495469	11/43/70/277114370	PRYPBGVWKANVLV-UHFFFAOYSA-N	0	257.135	CC	0.991	0	Anodyne	ref	CCAARN	CN1CCN(c2ncc(Br)cn2)CC1	 
O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1	ZINC000001530947	72/17/15/304721715	UEJJHQNACJXSKW-VIFPVBQESA-N	0	258.233	CC	0.088	0	Anodyne	ref	CCAARN	O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1	fda
O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1	ZINC000001530948	75/44/49/388754449	UEJJHQNACJXSKW-SECBINFHSA-N	0	258.233	CC	0.088	0	Anodyne	ref	CCAARN	O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1	fda
CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001595219	95/80/60/347958060	FGQTXDKZTAZFRS-UHFFFAOYSA-N	0	252.226	CC	0.888	0	Bother	ref	CCBARN	CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	 
CN(C)CCCNCCCNC(=O)c1cccnc1	ZINC000001813700	96/23/91/347962391	KPPFAKOQSQNCLH-UHFFFAOYSA-N	1	264.373	CC	0.743	1	Anodyne	mid	CCAAMO	CN(C)CCC[NH2+]CCCNC(=O)c1cccnc1	 
CN(C)CCCNCCCNC(=O)c1cccnc1	ZINC000001813700	96/23/88/347962388	KPPFAKOQSQNCLH-UHFFFAOYSA-N	2	264.373	CC	0.743	0	Anodyne	ref	CCAARP	C[NH+](C)CCC[NH2+]CCCNC(=O)c1cccnc1	 
CN(C)CCCNCCCNC(=O)c1ccncc1	ZINC000001829984	96/29/35/347962935	DSTJJUGCXHOWDZ-UHFFFAOYSA-N	1	264.373	CC	0.743	1	Anodyne	mid	CCAAMO	CN(C)CCC[NH2+]CCCNC(=O)c1ccncc1	 
CN(C)CCCNCCCNC(=O)c1ccncc1	ZINC000001829984	96/29/29/347962929	DSTJJUGCXHOWDZ-UHFFFAOYSA-N	2	264.373	CC	0.743	0	Anodyne	ref	CCAARP	C[NH+](C)CCC[NH2+]CCCNC(=O)c1ccncc1	 
O=C(O)c1ccc(/N=C2\N=C(O)C(CO)(CO)S2)cc1	ZINC000001850224	96/23/17/347962317	XHMVPBDCSHQQQC-UHFFFAOYSA-N	-1	296.304	CC	0.799	0	Mild	ref	CCEARM	O=C([O-])c1ccc(N=C2NC(=O)C(CO)(CO)S2)cc1	 
Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1	ZINC000001926656	96/38/98/347963898	SNRZZMQDPXZXDN-GFCCVEGCSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1	ZINC000001926656	96/38/95/347963895	SNRZZMQDPXZXDN-GFCCVEGCSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1	ZINC000001926656	96/38/90/347963890	SNRZZMQDPXZXDN-GFCCVEGCSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1	ZINC000001926658	96/40/79/347964079	SNRZZMQDPXZXDN-LBPRGKRZSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1	ZINC000001926658	96/40/76/347964076	SNRZZMQDPXZXDN-LBPRGKRZSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1	ZINC000001926658	96/40/71/347964071	SNRZZMQDPXZXDN-LBPRGKRZSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1	 
CCCCCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C	ZINC000001954769	96/33/51/347963351	USGNPNRCCDCDSN-UHFFFAOYSA-N	0	280.332	CC	0.289	1	Anodyne	mid	CCAAMN	CCCCCCn1c(=NN)[nH]c2c1c(=O)[nH]c(=O)n2C	 
CCCCCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C	ZINC000001954769	96/33/43/347963343	USGNPNRCCDCDSN-UHFFFAOYSA-N	0	280.332	CC	0.289	0	Anodyne	ref	CCAARN	CCCCCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C	 
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	 
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