smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccsc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000105639476	186067286	/nfs/dbraw/zinc/06/72/86/186067286.db2.gz	NQMXWAOKSRLKGA-SCOBNMCVSA-N	-1	1	276.313	2.285	50	30		CEEAMM
Cc1n[n-]c(=S)n1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000000510101	361181140	/nfs/dbraw/zinc/18/11/40/361181140.db2.gz	JBTGQVJWHLONPW-IZZDOVSWSA-N	-1	1	263.282	2.040	50	30		CEEAMM
CSc1nsc([N-]C(=O)c2sccc2C#N)n1	ZINC000083993146	363792501	/nfs/dbraw/zinc/79/25/01/363792501.db2.gz	UCNMYDBHRUHCSR-UHFFFAOYSA-N	-1	1	282.375	2.445	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2c(F)cccc2F)c(=O)o1	ZINC000023624932	361601975	/nfs/dbraw/zinc/60/19/75/361601975.db2.gz	JFJNWFQSXLCLTQ-GJBLVYBDSA-N	-1	1	292.237	2.193	50	30		CEEAMM
O=[N+]([O-])C=N[N-]c1ccc(Cc2cccnc2)cc1	ZINC000020479386	171221787	/nfs/dbraw/zinc/22/17/87/171221787.db2.gz	YWFYWIVFRDUTIO-XNTDXEJSSA-N	-1	1	256.265	2.304	50	30		CEEAMM
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](/C=N\[O-])C1=O	ZINC000013154721	278418882	/nfs/dbraw/zinc/41/88/82/278418882.db2.gz	KLYUTOYMOGYVCW-JUAVFEPTSA-N	-1	1	287.271	2.077	50	30		CEEAMM
N#Cc1c(=O)[n-]cc2c1CCc1[nH]c3ccccc3c1-2	ZINC000000978693	343351062	/nfs/dbraw/zinc/35/10/62/343351062.db2.gz	YKVSDDRVSLYQJY-UHFFFAOYSA-N	-1	1	261.284	2.493	50	30		CEEAMM
C[C@@H](C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000170592201	367382230	/nfs/dbraw/zinc/38/22/30/367382230.db2.gz	UCECHAQGLJKXSY-LURJTMIESA-N	-1	1	258.199	2.053	50	30		CEEAMM
O=C1C=C(c2ccccc2)S(=O)(=O)c2c([O-])cccc21	ZINC000001589484	296313692	/nfs/dbraw/zinc/31/36/92/296313692.db2.gz	BOHKBSYMCUBXPE-UHFFFAOYSA-N	-1	1	286.308	2.403	50	30		CEEAMM
CCC(=O)N(CC)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000022135370	171354961	/nfs/dbraw/zinc/35/49/61/171354961.db2.gz	XRYIHYRFQLWYSS-UHFFFAOYSA-N	-1	1	273.288	2.094	50	30		CEEAMM
O=C1N/C(=N\[O-])S/C1=C/c1ccc(Br)cc1	ZINC000006191801	361336704	/nfs/dbraw/zinc/33/67/04/361336704.db2.gz	JOVOKLNKMMXROH-VMPITWQZSA-N	-1	1	299.149	2.398	50	30		CEEAMM
Cc1cc(C)nc(N=NCc2ccc([N+](=O)[O-])cc2[O-])n1	ZINC000005030223	170058436	/nfs/dbraw/zinc/05/84/36/170058436.db2.gz	IROCVWQWSUYGAS-VGOFMYFVSA-N	-1	1	287.279	2.153	50	30		CEEAMM
O=C([O-])CC1S/C(=N/N=C2CCCCCCC2)NC1=O	ZINC000005456150	170100845	/nfs/dbraw/zinc/10/08/45/170100845.db2.gz	RAPQPKYGUWUVAF-JTQLQIEISA-N	-1	1	297.380	2.149	50	30		CEEAMM
Cc1ccc(C=NN=C2NC(=O)C(CC(=O)[O-])S2)s1	ZINC000263626927	631546356	/nfs/dbraw/zinc/54/63/56/631546356.db2.gz	FBENZQSCNHOSSL-QMMMGPOBSA-N	-1	1	297.361	2.293	50	30		CEEAMM
CCC1CCC(=N/N=C2/NC(=O)C(CC(=O)[O-])S2)CC1	ZINC000004616217	361324270	/nfs/dbraw/zinc/32/42/70/361324270.db2.gz	XWHHCWIAASAVHJ-HTLJXXAVSA-N	-1	1	297.380	2.005	50	30		CEEAMM
CCOC(=O)c1cc([O-])cc(C#N)c1Br	ZINC000263624989	190071055	/nfs/dbraw/zinc/07/10/55/190071055.db2.gz	VURFNTNEGOVIFH-UHFFFAOYSA-N	-1	1	270.082	2.203	50	30		CEEAMM
Cc1n[n-]c(=S)n1N=Cc1ccc(N(C)C)cc1	ZINC000005332673	170086769	/nfs/dbraw/zinc/08/67/69/170086769.db2.gz	IJHPLDBXDDKJGI-MDWZMJQESA-N	-1	1	261.354	2.197	50	30		CEEAMM
C=CCOc1ccc(Cl)cc1/C=C1\NC(=S)[N-]C1=O	ZINC000005382804	170092580	/nfs/dbraw/zinc/09/25/80/170092580.db2.gz	JGTNWRDCCQGKMY-YFHOEESVSA-N	-1	1	294.763	2.250	50	30		CEEAMM
O=C1Nc2ccccc2[C@]1(O)C/C(=N/[O-])c1ccccc1	ZINC000006557561	170213228	/nfs/dbraw/zinc/21/32/28/170213228.db2.gz	IWJVRVUHUSZENV-VVZNPABPSA-N	-1	1	282.299	2.095	50	30		CEEAMM
N#Cc1ccc(CSc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000008587421	170342310	/nfs/dbraw/zinc/34/23/10/170342310.db2.gz	GXDZWILKNCWHQE-UHFFFAOYSA-N	-1	1	283.356	2.423	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(F)ccc2F)c(=O)o1	ZINC000044013267	175138547	/nfs/dbraw/zinc/13/85/47/175138547.db2.gz	QTQWPLODBFTDTB-JBQRSBCVSA-N	-1	1	292.237	2.193	50	30		CEEAMM
Cn1cc(/C=C2\CCc3cc([O-])ccc3C2=O)cn1	ZINC000060364427	294196674	/nfs/dbraw/zinc/19/66/74/294196674.db2.gz	DTFWLTDDNHFONA-WUXMJOGZSA-N	-1	1	254.289	2.338	50	30		CEEAMM
C=CCN1C(=O)C(=Cc2cccs2)C(=O)[N-]C1=S	ZINC000001297058	526390204	/nfs/dbraw/zinc/39/02/04/526390204.db2.gz	WABDRTXYPFNUPO-VQHVLOKHSA-N	-1	1	278.358	2.401	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=CC=Cc2ccccc2)c(=O)o1	ZINC000230137656	344570985	/nfs/dbraw/zinc/57/09/85/344570985.db2.gz	FUXBCZLBEXXKEN-UPLVQJLYSA-N	-1	1	282.295	2.471	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc(F)c2)c(=O)o1	ZINC000105639440	186067222	/nfs/dbraw/zinc/06/72/22/186067222.db2.gz	XLLRIASLRGOJRV-GEXIGZQTSA-N	-1	1	274.247	2.054	50	30		CEEAMM
COc1cc(C(=O)N[C@@H](C#N)C2CC2)cc(Cl)c1[O-]	ZINC000135087339	366394667	/nfs/dbraw/zinc/39/46/67/366394667.db2.gz	GDMJTNSYKMPDCZ-JTQLQIEISA-N	-1	1	280.711	2.086	50	30		CEEAMM
CCOC(=O)C(C#N)=N[N-]c1cc(Cl)ccc1OC	ZINC000013109274	361418528	/nfs/dbraw/zinc/41/85/28/361418528.db2.gz	QNICQODAGRJJEL-YBEGLDIGSA-N	-1	1	281.699	2.203	50	30		CEEAMM
COc1cc(OC)c(C=N[O-])cc1Br	ZINC000252462995	371440371	/nfs/dbraw/zinc/44/03/71/371440371.db2.gz	YBMJHRFUPLUACU-UHFFFAOYSA-N	-1	1	260.087	2.274	50	30		CEEAMM
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](C=N[O-])C1=O	ZINC000252617088	371459696	/nfs/dbraw/zinc/45/96/96/371459696.db2.gz	KLYUTOYMOGYVCW-VIFPVBQESA-N	-1	1	287.271	2.077	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=CC=Cc2ccccc2)c(=O)o1	ZINC000102500608	400254693	/nfs/dbraw/zinc/25/46/93/400254693.db2.gz	FUXBCZLBEXXKEN-HORCOZLCSA-N	-1	1	282.295	2.471	50	30		CEEAMM
CC(C)(O)CCC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000004879364	170035617	/nfs/dbraw/zinc/03/56/17/170035617.db2.gz	OVRABUAZHGSQBY-UHFFFAOYSA-N	-1	1	260.289	2.429	50	30		CEEAMM
CS[C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000032627367	361747505	/nfs/dbraw/zinc/74/75/05/361747505.db2.gz	GKPWTZCCHDTLDE-GSVOUGTGSA-N	-1	1	254.237	2.163	50	30		CEEAMM
O=C(CCc1cccnc1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000036714230	361851756	/nfs/dbraw/zinc/85/17/56/361851756.db2.gz	BYHJPSYCTVEYTC-UHFFFAOYSA-N	-1	1	285.229	2.439	50	30		CEEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2nccs2)cc1	ZINC000000984004	361195858	/nfs/dbraw/zinc/19/58/58/361195858.db2.gz	ZXPLKYLPCUVOFS-UHFFFAOYSA-N	-1	1	297.361	2.166	50	30		CEEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2nccs2)cc1	ZINC000000984004	361195864	/nfs/dbraw/zinc/19/58/64/361195864.db2.gz	ZXPLKYLPCUVOFS-UHFFFAOYSA-N	-1	1	297.361	2.166	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccccc2C)c(=O)o1	ZINC000003543727	361284065	/nfs/dbraw/zinc/28/40/65/361284065.db2.gz	FJBIUVWIYNLXKU-MVGZEHJDSA-N	-1	1	270.284	2.223	50	30		CEEAMM
Cc1cc(NC([O-])=NS(=O)(=O)c2ccc(C)cc2)on1	ZINC000004110310	361300217	/nfs/dbraw/zinc/30/02/17/361300217.db2.gz	DNZQFHFUVRGPNA-UHFFFAOYSA-N	-1	1	295.320	2.006	50	30		CEEAMM
Cc1cc(NC(=O)N=S(=O)([O-])c2ccc(C)cc2)on1	ZINC000004110310	361300222	/nfs/dbraw/zinc/30/02/22/361300222.db2.gz	DNZQFHFUVRGPNA-UHFFFAOYSA-N	-1	1	295.320	2.006	50	30		CEEAMM
CSCCC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000026252172	361637185	/nfs/dbraw/zinc/63/71/85/361637185.db2.gz	HQBSUXHLAKAORO-UHFFFAOYSA-N	-1	1	254.237	2.165	50	30		CEEAMM
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](/C=N/[O-])C1=O	ZINC000100291541	364543633	/nfs/dbraw/zinc/54/36/33/364543633.db2.gz	KLYUTOYMOGYVCW-UVSFYCKTSA-N	-1	1	287.271	2.077	50	30		CEEAMM
C[C@H](C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000170592202	367382630	/nfs/dbraw/zinc/38/26/30/367382630.db2.gz	UCECHAQGLJKXSY-ZCFIWIBFSA-N	-1	1	258.199	2.053	50	30		CEEAMM
N#Cc1c(=O)[n-]c2c(c1-c1cccnc1)CCCC2	ZINC000041308487	279493253	/nfs/dbraw/zinc/49/32/53/279493253.db2.gz	RUNLDFWAWWUKTR-UHFFFAOYSA-N	-1	1	251.289	2.187	50	30		CEEAMM
O=C([N-]S(=O)(=O)c1ccccc1)Nc1ccccc1	ZINC000000090943	361126799	/nfs/dbraw/zinc/12/67/99/361126799.db2.gz	RLXNWBVDCNYQJV-UHFFFAOYSA-N	-1	1	276.317	2.401	50	30		CEEAMM
O=S(=O)(N=C([O-])Nc1ccccc1)c1ccccc1	ZINC000000090943	361126804	/nfs/dbraw/zinc/12/68/04/361126804.db2.gz	RLXNWBVDCNYQJV-UHFFFAOYSA-N	-1	1	276.317	2.401	50	30		CEEAMM
CCn1cc([C@H]2Nc3ccccc3C(=O)N2[O-])c(C)n1	ZINC000000373585	361167416	/nfs/dbraw/zinc/16/74/16/361167416.db2.gz	XDMRESDZJIMMOY-ZDUSSCGKSA-N	-1	1	272.308	2.167	50	30		CEEAMM
CCCC/N=C1\SC(CC(=O)[O-])C(=O)N1CCCC	ZINC000027790571	361658425	/nfs/dbraw/zinc/65/84/25/361658425.db2.gz	ISWVNHCYOWWPRS-DZOVYVGFSA-N	-1	1	286.397	2.361	50	30		CEEAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000006315876	170190523	/nfs/dbraw/zinc/19/05/23/170190523.db2.gz	VROMLSUAPCRQDK-UHFFFAOYSA-N	-1	1	288.328	2.368	50	30		CEEAMM
C=CCn1c(CCNC(=O)c2cccs2)n[n-]c1=S	ZINC000006492924	170206701	/nfs/dbraw/zinc/20/67/01/170206701.db2.gz	PLWDEYCVQFVEPX-UHFFFAOYSA-N	-1	1	294.405	2.161	50	30		CEEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)s1	ZINC000101275774	623569152	/nfs/dbraw/zinc/56/91/52/623569152.db2.gz	HIXZAWPRDGXPQF-URWSZGRFSA-N	-1	1	276.313	2.285	50	30		CEEAMM
Cc1ccsc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000102500596	628015485	/nfs/dbraw/zinc/01/54/85/628015485.db2.gz	NQMXWAOKSRLKGA-ITDFMYJTSA-N	-1	1	276.313	2.285	50	30		CEEAMM
N#Cc1cc2c([n-]c1=O)CCCC2=NNc1ccccc1	ZINC000004946087	628748564	/nfs/dbraw/zinc/74/85/64/628748564.db2.gz	XFMXCFLZBCBITL-HMMYKYKNSA-N	-1	1	278.315	2.399	50	30		CEEAMM
C[C@@H](NC(=O)/C(CCCC#N)=N/[O-])c1ccccc1	ZINC000004012973	343352893	/nfs/dbraw/zinc/35/28/93/343352893.db2.gz	PPIFZCJEGHGAME-MUOMHZFWSA-N	-1	1	259.309	2.388	50	30		CEEAMM
N#C[C@H](NC(=O)c1ncccc1[O-])c1ccc(F)cc1F	ZINC000097102455	344243026	/nfs/dbraw/zinc/24/30/26/344243026.db2.gz	DNLLCJSOCXFGGI-NSHDSACASA-N	-1	1	289.241	2.060	50	30		CEEAMM
C=CCOc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1	ZINC000095986801	185056274	/nfs/dbraw/zinc/05/62/74/185056274.db2.gz	LLKWMANRZAHKDC-ZDUSSCGKSA-N	-1	1	280.349	2.295	50	30		CEEAMM
COc1cc(C=N[O-])ccc1OCc1cccnc1	ZINC000606348311	347465921	/nfs/dbraw/zinc/46/59/21/347465921.db2.gz	QWRZOIMPFIKEMI-UHFFFAOYSA-N	-1	1	258.277	2.477	50	30		CEEAMM
Cc1cc(=O)[n-]c(NN=Cc2c(F)cccc2F)n1	ZINC000606346895	347466397	/nfs/dbraw/zinc/46/63/97/347466397.db2.gz	WPHIOEFPIUAKRE-UHFFFAOYSA-N	-1	1	264.235	2.215	50	30		CEEAMM
COc1cccc(-c2[nH]c(=S)[n-]c(=O)c2C#N)c1	ZINC000016989873	361501339	/nfs/dbraw/zinc/50/13/39/361501339.db2.gz	KJJIVLJUFAMCFJ-UHFFFAOYSA-N	-1	1	259.290	2.392	50	30		CEEAMM
O=C1Nc2ccccc2[C@@]1(O)CC(=N[O-])c1ccccc1	ZINC000252612786	371459072	/nfs/dbraw/zinc/45/90/72/371459072.db2.gz	IWJVRVUHUSZENV-INIZCTEOSA-N	-1	1	282.299	2.095	50	30		CEEAMM
CC(NCCCCCC#N)=C1SC(=S)[N-]C1=O	ZINC000106547116	400263706	/nfs/dbraw/zinc/26/37/06/400263706.db2.gz	MQGQNHXXGUMFFP-HJWRWDBZSA-N	-1	1	269.395	2.039	50	30		CEEAMM
Cc1cc(=O)[n-]c(SCc2ccccc2C#N)n1	ZINC000008548244	170339653	/nfs/dbraw/zinc/33/96/53/170339653.db2.gz	MVJCYMSUXMUUBJ-UHFFFAOYSA-N	-1	1	257.318	2.242	50	30		CEEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000003071435	283185405	/nfs/dbraw/zinc/18/54/05/283185405.db2.gz	ONKDTTLIURIIHI-UHFFFAOYSA-N	-1	1	258.302	2.359	50	30		CEEAMM
N#Cc1ccc(NCCn2c(=S)[n-]nc2C2CC2)nc1	ZINC000080761198	363682654	/nfs/dbraw/zinc/68/26/54/363682654.db2.gz	SGFYKXQAEWGSPU-UHFFFAOYSA-N	-1	1	286.364	2.197	50	30		CEEAMM
C=CCNC(=O)c1cc(Br)ccc1[O-]	ZINC000012019869	361372055	/nfs/dbraw/zinc/37/20/55/361372055.db2.gz	HGJCILCORZAJDP-UHFFFAOYSA-N	-1	1	256.099	2.071	50	30		CEEAMM
Cc1cc(=O)[n-]c(NN=Cc2ccccc2Cl)n1	ZINC000006667417	170224194	/nfs/dbraw/zinc/22/41/94/170224194.db2.gz	FFBZGVRBIPBPHE-VGOFMYFVSA-N	-1	1	262.700	2.178	50	30		CEEAMM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncccc1F	ZINC000096496302	230384088	/nfs/dbraw/zinc/38/40/88/230384088.db2.gz	WCGRABHUPBNWTP-UHFFFAOYSA-N	-1	1	291.307	2.202	50	30		CEEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000102500650	400254815	/nfs/dbraw/zinc/25/48/15/400254815.db2.gz	ZSJDOBVCASTQRL-KIUWMYQTSA-N	-1	1	270.284	2.223	50	30		CEEAMM
CC(=O)C(C(C)=O)=C1c2ccccc2C(=O)C([O-])=C1Cl	ZINC000100891724	631374928	/nfs/dbraw/zinc/37/49/28/631374928.db2.gz	PNZRFKFFKPDCLU-UHFFFAOYSA-N	-1	1	290.702	2.196	50	30		CEEAMM
N#C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(F)cc1F	ZINC000097102456	344243018	/nfs/dbraw/zinc/24/30/18/344243018.db2.gz	DNLLCJSOCXFGGI-LLVKDONJSA-N	-1	1	289.241	2.060	50	30		CEEAMM
N#C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1	ZINC000221453352	370241533	/nfs/dbraw/zinc/24/15/33/370241533.db2.gz	WOVWJGWKBFWZAC-LLVKDONJSA-N	-1	1	278.739	2.350	50	30		CEEAMM
O=C1Nc2ccccc2[C@@]1(O)C/C(=N/[O-])c1ccccc1	ZINC000006557560	170213173	/nfs/dbraw/zinc/21/31/73/170213173.db2.gz	IWJVRVUHUSZENV-IYWFSZBXSA-N	-1	1	282.299	2.095	50	30		CEEAMM
Cc1cc(=O)[n-]c(NN=Cc2ccc(Cl)cc2)n1	ZINC000007891462	280305961	/nfs/dbraw/zinc/30/59/61/280305961.db2.gz	VHROUCLVTSMYCM-VGOFMYFVSA-N	-1	1	262.700	2.178	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc(O)c2)c(=O)o1	ZINC000004012191	361295759	/nfs/dbraw/zinc/29/57/59/361295759.db2.gz	PXANCZAISZRMEC-AATRIKPKSA-N	-1	1	272.256	2.256	50	30		CEEAMM
C=CCOc1c(CNn2cn[n-]c2=S)cccc1OC	ZINC000006674397	170225274	/nfs/dbraw/zinc/22/52/74/170225274.db2.gz	NHJCZZWENDYDEP-UHFFFAOYSA-N	-1	1	292.364	2.258	50	30		CEEAMM
Cc1csc(C(C#N)=C([O-])c2ccnc(N(C)C)c2)n1	ZINC000122663335	365630827	/nfs/dbraw/zinc/63/08/27/365630827.db2.gz	OCIPJKSMUSNGQS-NSHDSACASA-N	-1	1	286.360	2.403	50	30		CEEAMM
N#Cc1ccccc1CSc1nc(O)cc(=O)[n-]1	ZINC000013111246	361420038	/nfs/dbraw/zinc/42/00/38/361420038.db2.gz	ZCPAOXLSGRUSAQ-UHFFFAOYSA-N	-1	1	259.290	2.052	50	30		CEEAMM
CCCC/N=C1\SC(CC(=O)[O-])C(=O)N1CCCC	ZINC000027790574	361658320	/nfs/dbraw/zinc/65/83/20/361658320.db2.gz	ISWVNHCYOWWPRS-YAWLZAOSSA-N	-1	1	286.397	2.361	50	30		CEEAMM
CC([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100036722	364539255	/nfs/dbraw/zinc/53/92/55/364539255.db2.gz	QHBCZMRCKGKVSR-UHFFFAOYSA-N	-1	1	254.101	2.368	50	30		CEEAMM
C=C(C)C[C@@H](C)C(=O)NCc1cc(=O)[n-]c(SC)n1	ZINC000585126044	367181797	/nfs/dbraw/zinc/18/17/97/367181797.db2.gz	MJWRIXMCEVZDBN-SECBINFHSA-N	-1	1	281.381	2.123	50	30		CEEAMM
N#Cc1ccc(F)cc1CSc1nccc(=O)[n-]1	ZINC000229947168	370434507	/nfs/dbraw/zinc/43/45/07/370434507.db2.gz	RRJPHIUXQMZTCY-UHFFFAOYSA-N	-1	1	261.281	2.485	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(F)ccc2F)c(=O)o1	ZINC000104300784	400260839	/nfs/dbraw/zinc/26/08/39/400260839.db2.gz	QTQWPLODBFTDTB-FWWGQDLDSA-N	-1	1	292.237	2.193	50	30		CEEAMM
Cc1ccsc1C=NN=C1NC(=O)C(CC(=O)[O-])S1	ZINC000009087830	170363239	/nfs/dbraw/zinc/36/32/39/170363239.db2.gz	IRBAJKOAKSBOLH-XIBZQWRXSA-N	-1	1	297.361	2.293	50	30		CEEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1	ZINC000161287485	526683172	/nfs/dbraw/zinc/68/31/72/526683172.db2.gz	RBRHOLRYKLZSAQ-UHFFFAOYSA-N	-1	1	292.291	2.204	50	30		CEEAMM
[O-]c1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1	ZINC000034100884	343418960	/nfs/dbraw/zinc/41/89/60/343418960.db2.gz	BFKFAQKEWZGXDJ-UHFFFAOYSA-N	-1	1	264.100	2.472	50	30		CEEAMM
Cc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000105639572	186066926	/nfs/dbraw/zinc/06/69/26/186066926.db2.gz	YOEZOGCBFWCKAF-XHPSBEMXSA-N	-1	1	270.284	2.223	50	30		CEEAMM
Cc1cccc([N-]/N=C(\C#N)S(=O)(=O)C(C)(C)C)c1	ZINC000003047548	361261733	/nfs/dbraw/zinc/26/17/33/361261733.db2.gz	VEXIQTDAEQFUFS-FOWTUZBSSA-N	-1	1	279.365	2.457	50	30		CEEAMM
CC1(C)CC(=O)C(=C([O-])C=CNCc2ccccc2)C(=O)C1	ZINC000100098431	364540101	/nfs/dbraw/zinc/54/01/01/364540101.db2.gz	IIFVTEHSVZASKK-HJWRWDBZSA-N	-1	1	299.370	2.433	50	30		CEEAMM
Cc1cccn2c(=O)c(C=N[O-])c(NCc3ccco3)nc12	ZINC000254721564	371538456	/nfs/dbraw/zinc/53/84/56/371538456.db2.gz	QHHNZBHUYMXGLB-UHFFFAOYSA-N	-1	1	298.302	2.016	50	30		CEEAMM
C=CCc1c(C)[nH]n(-c2ccc(C(=O)[O-])cc2)c1=O	ZINC000005000137	170052660	/nfs/dbraw/zinc/05/26/60/170052660.db2.gz	ZBTSZPDKWXSYBT-UHFFFAOYSA-N	-1	1	258.277	2.313	50	30		CEEAMM
C=CCc1c(C)[nH]n(-c2cccc(C(=O)[O-])c2)c1=O	ZINC000006681875	170225739	/nfs/dbraw/zinc/22/57/39/170225739.db2.gz	RGYRRPWFNQXGFO-UHFFFAOYSA-N	-1	1	258.277	2.313	50	30		CEEAMM
C#Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000014849685	361461083	/nfs/dbraw/zinc/46/10/83/361461083.db2.gz	PTPYNFGCLMLJEV-UHFFFAOYSA-N	-1	1	257.314	2.469	50	30		CEEAMM
Cc1n[n-]c(=S)n1N=Cc1cc(Cl)ccc1O	ZINC000252608359	371459574	/nfs/dbraw/zinc/45/95/74/371459574.db2.gz	HJWFXTPIVOHKFF-UHFFFAOYSA-N	-1	1	268.729	2.490	50	30		CEEAMM
O=C1N([O-])[C@]2(C=CCCC2)C(=NO)C12CCCCC2	ZINC000252603691	371459688	/nfs/dbraw/zinc/45/96/88/371459688.db2.gz	FTANTFDDWBMRRV-AWEZNQCLSA-N	-1	1	264.325	2.477	50	30		CEEAMM
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](C=N[O-])C1=O	ZINC000252617087	371459753	/nfs/dbraw/zinc/45/97/53/371459753.db2.gz	KLYUTOYMOGYVCW-SECBINFHSA-N	-1	1	287.271	2.077	50	30		CEEAMM
Cc1cc(-c2ccc(N(C)C)cc2)c(C#N)c(=O)[n-]1	ZINC000000521085	361182830	/nfs/dbraw/zinc/18/28/30/361182830.db2.gz	YCYKETWPNZXMSO-UHFFFAOYSA-N	-1	1	253.305	2.288	50	30		CEEAMM
Cc1cc(=O)[n-]c(N=NCCCc2ccccc2)n1	ZINC000013543931	361431438	/nfs/dbraw/zinc/43/14/38/361431438.db2.gz	DUEVNRVNYLKDSP-OQLLNIDSSA-N	-1	1	256.309	2.109	50	30		CEEAMM
CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(F)cc1	ZINC000016512977	361490676	/nfs/dbraw/zinc/49/06/76/361490676.db2.gz	JRSBWFAMZJSBRX-RQZCQDPDSA-N	-1	1	260.272	2.054	50	30		CEEAMM
c1ccc(COc2ccc(CN=Nc3nn[n-]n3)cc2)cc1	ZINC000028615451	361675528	/nfs/dbraw/zinc/67/55/28/361675528.db2.gz	PQFWHHVAMFKUNZ-YBEGLDIGSA-N	-1	1	294.318	2.225	50	30		CEEAMM
N#CCCCC[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000185597988	368829774	/nfs/dbraw/zinc/82/97/74/368829774.db2.gz	PIZIZLLUSQSGFJ-UHFFFAOYSA-N	-1	1	290.747	2.451	50	30		CEEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2	ZINC000020533294	394472907	/nfs/dbraw/zinc/47/29/07/394472907.db2.gz	PAVNGAROEGSEHG-DHDCSXOGSA-N	-1	1	296.326	2.465	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(F)cc2)c(=O)o1	ZINC000035252943	394493849	/nfs/dbraw/zinc/49/38/49/394493849.db2.gz	CCXVQRRMKAWQGO-ZBKLQPJUSA-N	-1	1	274.247	2.054	50	30		CEEAMM
O=C1N/C(=N\[O-])S/C1=C/c1cccc(Br)c1	ZINC000018213499	280276723	/nfs/dbraw/zinc/27/67/23/280276723.db2.gz	KIUXYBPKDVNUOZ-VMPITWQZSA-N	-1	1	299.149	2.398	50	30		CEEAMM
Cc1cc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)no1	ZINC000000110268	361130528	/nfs/dbraw/zinc/13/05/28/361130528.db2.gz	QPOIZWPVJOWFSB-UHFFFAOYSA-N	-1	1	295.320	2.006	50	30		CEEAMM
Cc1cc(NC([O-])=NS(=O)(=O)c2ccc(C)cc2)no1	ZINC000000110268	361130536	/nfs/dbraw/zinc/13/05/36/361130536.db2.gz	QPOIZWPVJOWFSB-UHFFFAOYSA-N	-1	1	295.320	2.006	50	30		CEEAMM
Cc1csc(-c2c([O-])cn(N=Cc3ccncc3)c2N)n1	ZINC000102734091	364607637	/nfs/dbraw/zinc/60/76/37/364607637.db2.gz	FQESMSXPMJOCQW-MMTBQSCKSA-N	-1	1	299.359	2.443	50	30		CEEAMM
O=C1Nc2ccccc2[C@]1(O)CC(=N[O-])c1ccccc1	ZINC000252612787	371459368	/nfs/dbraw/zinc/45/93/68/371459368.db2.gz	IWJVRVUHUSZENV-MRXNPFEDSA-N	-1	1	282.299	2.095	50	30		CEEAMM
[O-]C(=Cc1c(F)cccc1Cl)NC1=NCCS1	ZINC000003422239	279797914	/nfs/dbraw/zinc/79/79/14/279797914.db2.gz	KMMBFOWGSLJXFZ-UHFFFAOYSA-N	-1	1	272.732	2.241	50	30		CEEAMM
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](/C=N/[O-])C1=O	ZINC000100291538	281422176	/nfs/dbraw/zinc/42/21/76/281422176.db2.gz	KLYUTOYMOGYVCW-UHDDOIDHSA-N	-1	1	287.271	2.077	50	30		CEEAMM
Cc1ccsc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000102500600	625380849	/nfs/dbraw/zinc/38/08/49/625380849.db2.gz	NQMXWAOKSRLKGA-OOPCZODUSA-N	-1	1	276.313	2.285	50	30		CEEAMM
C=C[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000133043100	344367061	/nfs/dbraw/zinc/36/70/61/344367061.db2.gz	ITOZUODJXHHTNS-ZETCQYMHSA-N	-1	1	263.721	2.332	50	30		CEEAMM
Cc1cc(=O)[n-]c(SCc2cccc(C#N)c2)n1	ZINC000016286114	361485790	/nfs/dbraw/zinc/48/57/90/361485790.db2.gz	LRDLZRSCWZBBOV-UHFFFAOYSA-N	-1	1	257.318	2.242	50	30		CEEAMM
O=C1N([O-])[C@@]2(C=CCCC2)/C(=N/O)C12CCCCC2	ZINC000004495717	296352980	/nfs/dbraw/zinc/35/29/80/296352980.db2.gz	FTANTFDDWBMRRV-XDPMZMSMSA-N	-1	1	264.325	2.477	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(F)ccc2F)c(=O)o1	ZINC000104300779	400260856	/nfs/dbraw/zinc/26/08/56/400260856.db2.gz	QTQWPLODBFTDTB-DQWBNOTDSA-N	-1	1	292.237	2.193	50	30		CEEAMM
C=CCOc1cccc(CNn2cn[n-]c2=S)c1	ZINC000006192719	170182140	/nfs/dbraw/zinc/18/21/40/170182140.db2.gz	TWWWOTQGWWUONC-UHFFFAOYSA-N	-1	1	262.338	2.249	50	30		CEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1	ZINC000006315889	170190521	/nfs/dbraw/zinc/19/05/21/170190521.db2.gz	CSBGFCBKVPAVDS-UHFFFAOYSA-N	-1	1	276.292	2.498	50	30		CEEAMM
C=CCn1c([C@@H](C)NC(=O)c2ccco2)n[n-]c1=S	ZINC000009928011	170391107	/nfs/dbraw/zinc/39/11/07/170391107.db2.gz	BKOCMBYATCURKJ-MRVPVSSYSA-N	-1	1	278.337	2.211	50	30		CEEAMM
O=C1N/C(=N\[O-])S/C1=C/c1ccc(Cl)cc1	ZINC000006191802	280276470	/nfs/dbraw/zinc/27/64/70/280276470.db2.gz	ZSHPOCMEVKCXBL-VMPITWQZSA-N	-1	1	254.698	2.289	50	30		CEEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccnc2)cc1	ZINC000000158142	361137659	/nfs/dbraw/zinc/13/76/59/361137659.db2.gz	UGJUWYFQFXUSMM-UHFFFAOYSA-N	-1	1	291.332	2.105	50	30		CEEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2cccnc2)cc1	ZINC000000158142	361137664	/nfs/dbraw/zinc/13/76/64/361137664.db2.gz	UGJUWYFQFXUSMM-UHFFFAOYSA-N	-1	1	291.332	2.105	50	30		CEEAMM
C=CCSc1nc(C)c(CC(=O)OCCCC)c(=O)[n-]1	ZINC000018210857	361516387	/nfs/dbraw/zinc/51/63/87/361516387.db2.gz	CYLQZYZMPQQEQL-UHFFFAOYSA-N	-1	1	296.392	2.242	50	30		CEEAMM
Cc1cccn2c(=O)c(/C=N/[O-])c(NCc3ccco3)nc12	ZINC000102817581	364611872	/nfs/dbraw/zinc/61/18/72/364611872.db2.gz	QHHNZBHUYMXGLB-RQZCQDPDSA-N	-1	1	298.302	2.016	50	30		CEEAMM
CCOC(=O)C(Cl)=N[N-]c1ccccc1[N+](=O)[O-]	ZINC000008383125	170334185	/nfs/dbraw/zinc/33/41/85/170334185.db2.gz	XYTJWRVHURKZAD-UKTHLTGXSA-N	-1	1	271.660	2.122	50	30		CEEAMM
CCCCCCCC(=O)C1=C([O-])C[C@H](C)OC1=O	ZINC000100354044	622862882	/nfs/dbraw/zinc/86/28/82/622862882.db2.gz	GRYMMVOHUKXQFH-GWCFXTLKSA-N	-1	1	254.326	2.437	50	30		CEEAMM
CC(=NOC(=O)[N-]C(=O)c1ccc(F)cc1)C1CC1	ZINC000004567082	628621758	/nfs/dbraw/zinc/62/17/58/628621758.db2.gz	AFEXEDJHPJKAJE-LZYBPNLTSA-N	-1	1	264.256	2.478	50	30		CEEAMM
COc1cc(C(=O)[N-]c2cc(Cl)ccc2C#N)on1	ZINC000090609963	180012198	/nfs/dbraw/zinc/01/21/98/180012198.db2.gz	GYBRHQBBFNUXQX-UHFFFAOYSA-N	-1	1	277.667	2.461	50	30		CEEAMM
[O-]/N=C(\Cn1cncn1)c1ccc(Cl)cc1Cl	ZINC000004471397	361317621	/nfs/dbraw/zinc/31/76/21/361317621.db2.gz	CNCXXOKGVGYHLY-XNTDXEJSSA-N	-1	1	271.107	2.463	50	30		CEEAMM
C=C(C)COc1ccccc1CN[C@H](C)c1nnn[n-]1	ZINC000055414725	518622570	/nfs/dbraw/zinc/62/25/70/518622570.db2.gz	JAMDCXVYANGWND-LLVKDONJSA-N	-1	1	273.340	2.005	50	30		CEEAMM
CCCCCC/C(C)=N/N=C1\NC(=O)C(CC(=O)[O-])S1	ZINC000004380941	361314970	/nfs/dbraw/zinc/31/49/70/361314970.db2.gz	TVXRWNAUYRRHFW-CNOAHFENSA-N	-1	1	299.396	2.395	50	30		CEEAMM
N#CCc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1	ZINC000095994111	185059474	/nfs/dbraw/zinc/05/94/74/185059474.db2.gz	AWHRTSHGSPUUKN-UHFFFAOYSA-N	-1	1	291.307	2.088	50	30		CEEAMM
COc1cc(/C=N/[O-])cc(Br)c1OC(C)=O	ZINC000002762920	361249270	/nfs/dbraw/zinc/24/92/70/361249270.db2.gz	SQFCKONDMYZWPZ-LFYBBSHMSA-N	-1	1	288.097	2.191	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(F)cc2)c(=O)o1	ZINC000003326328	394454051	/nfs/dbraw/zinc/45/40/51/394454051.db2.gz	CCXVQRRMKAWQGO-GBXSZLQWSA-N	-1	1	274.247	2.054	50	30		CEEAMM
O=C1c2ccc([O-])cc2CC/C1=C\c1csnn1	ZINC000170610685	344487121	/nfs/dbraw/zinc/48/71/21/344487121.db2.gz	CZQJWFFPZOLSSC-WEVVVXLNSA-N	-1	1	258.302	2.456	50	30		CEEAMM
C=CCc1ccc2oc(C(=O)OCC)cc(=O)c2c1[O-]	ZINC000000132995	361133404	/nfs/dbraw/zinc/13/34/04/361133404.db2.gz	FQFRNZCQCFTFKG-UHFFFAOYSA-N	-1	1	274.272	2.404	50	30		CEEAMM
Cc1nnc(SCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000030836226	361704327	/nfs/dbraw/zinc/70/43/27/361704327.db2.gz	RQEFCAZSCXITIG-UHFFFAOYSA-N	-1	1	292.389	2.316	50	30		CEEAMM
O=C1C(=N[O-])C(c2ccccc2)=NN1c1ccccc1	ZINC000252608871	371459533	/nfs/dbraw/zinc/45/95/33/371459533.db2.gz	HOMZWBWYLPRGKQ-UHFFFAOYSA-N	-1	1	265.272	2.268	50	30		CEEAMM
N#Cc1ccc(CSc2nc3[nH]cnc3c(=O)[n-]2)cc1	ZINC000021352021	171303349	/nfs/dbraw/zinc/30/33/49/171303349.db2.gz	UZCLEAIGUAJEPR-UHFFFAOYSA-N	-1	1	283.316	2.222	50	30		CEEAMM
O=c1c2ccccc2nc(NN=Cc2ccc(F)cc2)n1[O-]	ZINC000261490705	328138531	/nfs/dbraw/zinc/13/85/31/328138531.db2.gz	ZBTMZWGLTKPXGP-RQZCQDPDSA-N	-1	1	298.277	2.219	50	30		CEEAMM
CCCc1cc(=O)[n-]c(NN=Cc2ccccc2)n1	ZINC000003946817	361294950	/nfs/dbraw/zinc/29/49/50/361294950.db2.gz	UKQVFAMLXNQVCZ-XNTDXEJSSA-N	-1	1	256.309	2.168	50	30		CEEAMM
O=C1/C(=N\[O-])C(c2ccccc2)=NN1c1ccccc1	ZINC000100295902	284779454	/nfs/dbraw/zinc/77/94/54/284779454.db2.gz	HOMZWBWYLPRGKQ-VKAVYKQESA-N	-1	1	265.272	2.268	50	30		CEEAMM
COc1cccc([C@@H]2Nc3ccccc3C(=O)N2[O-])c1O	ZINC000000204448	286465000	/nfs/dbraw/zinc/46/50/00/286465000.db2.gz	ALSPBPOXXIUURS-CQSZACIVSA-N	-1	1	286.287	2.357	50	30		CEEAMM
CC1=NC(=O)C(C=Nc2ccc(Cl)cc2)C([O-])=N1	ZINC000005009413	170054596	/nfs/dbraw/zinc/05/45/96/170054596.db2.gz	NJSPTUAKHSXGOV-MKMNVTDBSA-N	-1	1	263.684	2.188	50	30		CEEAMM
N#Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000007057210	170264856	/nfs/dbraw/zinc/26/48/56/170264856.db2.gz	DOPBACXQQXGZDP-UHFFFAOYSA-N	-1	1	276.292	2.498	50	30		CEEAMM
N#Cc1cc(S(=O)(=O)[N-]c2ccncc2)ccc1Cl	ZINC000071857645	176278871	/nfs/dbraw/zinc/27/88/71/176278871.db2.gz	QOTGRZLLBIIPND-UHFFFAOYSA-N	-1	1	293.735	2.407	50	30		CEEAMM
C=CCOc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1	ZINC000095986802	185055798	/nfs/dbraw/zinc/05/57/98/185055798.db2.gz	LLKWMANRZAHKDC-CYBMUJFWSA-N	-1	1	280.349	2.295	50	30		CEEAMM
O=C1c2ccccc2N[C@@H](c2ccccc2O)N1[O-]	ZINC000000079928	361124812	/nfs/dbraw/zinc/12/48/12/361124812.db2.gz	YWNTUOFSCXUWIK-CYBMUJFWSA-N	-1	1	256.261	2.348	50	30		CEEAMM
CCCCCC/C(C)=N/N=C1\NC(=O)C(CC(=O)[O-])S1	ZINC000004380942	361314560	/nfs/dbraw/zinc/31/45/60/361314560.db2.gz	TVXRWNAUYRRHFW-KXUVPBGPSA-N	-1	1	299.396	2.395	50	30		CEEAMM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1F	ZINC000012785386	361400914	/nfs/dbraw/zinc/40/09/14/361400914.db2.gz	JJXSUOJKAWRLTD-UHFFFAOYSA-N	-1	1	276.292	2.498	50	30		CEEAMM
N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1	ZINC000016129053	361484476	/nfs/dbraw/zinc/48/44/76/361484476.db2.gz	BWJKSJNTHAGDEB-UHFFFAOYSA-N	-1	1	276.292	2.498	50	30		CEEAMM
CCOC(=O)c1cc(Br)cc(C#N)c1[O-]	ZINC000263623230	190070504	/nfs/dbraw/zinc/07/05/04/190070504.db2.gz	FSTDVMBARHXTBB-UHFFFAOYSA-N	-1	1	270.082	2.203	50	30		CEEAMM
O=C(Nc1ccccc1/C(O)=N\[O-])c1ccncc1	ZINC000005004468	170053937	/nfs/dbraw/zinc/05/39/37/170053937.db2.gz	HKSFXYVEBKVOKY-UHFFFAOYSA-N	-1	1	257.249	2.028	50	30		CEEAMM
C=CCn1c(CNC(=O)c2cccc(C)c2)n[n-]c1=S	ZINC000005981561	170165451	/nfs/dbraw/zinc/16/54/51/170165451.db2.gz	JPJZSRDWNZRGTA-UHFFFAOYSA-N	-1	1	288.376	2.365	50	30		CEEAMM
C=CCn1c(CC(=O)Nc2ccccc2)n[n-]c1=S	ZINC000038536740	174144753	/nfs/dbraw/zinc/14/47/53/174144753.db2.gz	ZNEFCSJVPAULPG-UHFFFAOYSA-N	-1	1	274.349	2.308	50	30		CEEAMM
COC(=O)C([O-])=C(C#N)c1ccc(Cl)cc1Cl	ZINC000041405576	362033693	/nfs/dbraw/zinc/03/36/93/362033693.db2.gz	KUIOYOUVZXQQAO-QMMMGPOBSA-N	-1	1	272.087	2.343	50	30		CEEAMM
C=CCn1c(CNC(=O)OC(C)(C)C)n[n-]c1=S	ZINC000000161671	361137164	/nfs/dbraw/zinc/13/71/64/361137164.db2.gz	FTCUGLKYNJDLTP-UHFFFAOYSA-N	-1	1	270.358	2.151	50	30		CEEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000000486808	361180456	/nfs/dbraw/zinc/18/04/56/361180456.db2.gz	FHXOOBNHLNVYOF-UHFFFAOYSA-N	-1	1	258.302	2.359	50	30		CEEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCC(C)CC2)cc1	ZINC000003229524	361269486	/nfs/dbraw/zinc/26/94/86/361269486.db2.gz	GTCLTPXHMIWRCO-UHFFFAOYSA-N	-1	1	296.392	2.330	50	30		CEEAMM
Cc1ccc(S(=O)(=O)N=C([O-])N2CCC(C)CC2)cc1	ZINC000003229524	361269489	/nfs/dbraw/zinc/26/94/89/361269489.db2.gz	GTCLTPXHMIWRCO-UHFFFAOYSA-N	-1	1	296.392	2.330	50	30		CEEAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1	ZINC000006269817	170187249	/nfs/dbraw/zinc/18/72/49/170187249.db2.gz	ZVWCZJSXTKDXFA-UHFFFAOYSA-N	-1	1	288.328	2.368	50	30		CEEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1	ZINC000016101222	170687681	/nfs/dbraw/zinc/68/76/81/170687681.db2.gz	STVGOFZEVBFLBO-UHFFFAOYSA-N	-1	1	276.292	2.498	50	30		CEEAMM
CCOC(=O)C(C#N)=N[N-]c1cc(Cl)ccc1OC	ZINC000000535467	361184005	/nfs/dbraw/zinc/18/40/05/361184005.db2.gz	QNICQODAGRJJEL-MHWRWJLKSA-N	-1	1	281.699	2.203	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc(F)c2)c(=O)o1	ZINC000003543711	361283969	/nfs/dbraw/zinc/28/39/69/361283969.db2.gz	XLLRIASLRGOJRV-GJBLVYBDSA-N	-1	1	274.247	2.054	50	30		CEEAMM
O=c1ccnc(NN=Cc2ccccc2C(F)(F)F)[n-]1	ZINC000004160161	361302658	/nfs/dbraw/zinc/30/26/58/361302658.db2.gz	PCPGZZGZFGJQRZ-REZTVBANSA-N	-1	1	282.225	2.235	50	30		CEEAMM
O=C(Nc1ccccc1/C(O)=N\[O-])c1cccnc1	ZINC000012375366	361380936	/nfs/dbraw/zinc/38/09/36/361380936.db2.gz	APTDEOOPOJYELE-UHFFFAOYSA-N	-1	1	257.249	2.028	50	30		CEEAMM
C=CCn1c([C@H](C)NC(=O)c2ccco2)n[n-]c1=S	ZINC000009928010	170391043	/nfs/dbraw/zinc/39/10/43/170391043.db2.gz	BKOCMBYATCURKJ-QMMMGPOBSA-N	-1	1	278.337	2.211	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccccc2C)c(=O)o1	ZINC000105639520	186067176	/nfs/dbraw/zinc/06/71/76/186067176.db2.gz	FJBIUVWIYNLXKU-ZPIQOJFGSA-N	-1	1	270.284	2.223	50	30		CEEAMM
Nc1c(-c2ccccc2)c(O)cn1-c1cccc(C(=O)[O-])c1	ZINC000003316164	361273816	/nfs/dbraw/zinc/27/38/16/361273816.db2.gz	MZIOHIUEHFPSDF-UHFFFAOYSA-N	-1	1	294.310	2.101	50	30		CEEAMM
O=c1c(/C=N/[O-])c(Nc2ccccc2)nc2ccccn12	ZINC000100911680	364553054	/nfs/dbraw/zinc/55/30/54/364553054.db2.gz	KUZZDKUAFVUVPC-MHWRWJLKSA-N	-1	1	280.287	2.246	50	30		CEEAMM
C=CCn1c(SC)nc([O-])c(Cc2ccccc2)c1=O	ZINC000015723199	640942300	/nfs/dbraw/zinc/94/23/00/640942300.db2.gz	HPAIBBLXKGPUKY-UHFFFAOYSA-N	-1	1	288.372	2.448	50	30		CEEAMM
CCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000105639598	186067171	/nfs/dbraw/zinc/06/71/71/186067171.db2.gz	OUZTXUIDWWGOQM-HLRDLLSLSA-N	-1	1	284.311	2.477	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc(F)c2)c(=O)o1	ZINC000105639432	186067388	/nfs/dbraw/zinc/06/73/88/186067388.db2.gz	XLLRIASLRGOJRV-GXMNPTEKSA-N	-1	1	274.247	2.054	50	30		CEEAMM
[O-]c1c(Br)cccc1C=Nc1nc[nH]n1	ZINC000100908491	364552672	/nfs/dbraw/zinc/55/26/72/364552672.db2.gz	ADGPQTDOKIXRTE-NYYWCZLTSA-N	-1	1	267.086	2.023	50	30		CEEAMM
N#Cc1ccc(O)c(NC(=O)c2s[n-]c(=O)c2Cl)c1	ZINC000241684923	370785234	/nfs/dbraw/zinc/78/52/34/370785234.db2.gz	QGLMFFVPVWEXDY-UHFFFAOYSA-N	-1	1	295.707	2.332	50	30		CEEAMM
O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1[O-]	ZINC000000079907	394448146	/nfs/dbraw/zinc/44/81/46/394448146.db2.gz	KSGSHRAZEGUTGH-CYBMUJFWSA-N	-1	1	256.261	2.348	50	30		CEEAMM
Cc1ccc(-n2c([O-])cc(C)c(C#N)c2=O)c(C)c1	ZINC000020031370	292035535	/nfs/dbraw/zinc/03/55/35/292035535.db2.gz	RJCFHXGUAOZUNU-UHFFFAOYSA-N	-1	1	254.289	2.340	50	30		CEEAMM
C=CCn1c2nnc([S-])n2c2sc(C)c(C)c2c1=O	ZINC000005956571	275435423	/nfs/dbraw/zinc/43/54/23/275435423.db2.gz	GEJPXGYPEBNVHV-UHFFFAOYSA-N	-1	1	292.389	2.197	50	30		CEEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2	ZINC000020503977	276810023	/nfs/dbraw/zinc/81/00/23/276810023.db2.gz	DECYVBURGGVMJN-NVNXTCNLSA-N	-1	1	296.326	2.465	50	30		CEEAMM
CN1c2ccccc2/C(=C2\Oc3cc([O-])ccc3C2=O)C1=O	ZINC000002888482	277216908	/nfs/dbraw/zinc/21/69/08/277216908.db2.gz	RVHXUZMTAOJMQV-JQIJEIRASA-N	-1	1	293.278	2.355	50	30		CEEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)s1	ZINC000101275777	623569226	/nfs/dbraw/zinc/56/92/26/623569226.db2.gz	HIXZAWPRDGXPQF-GFUIURDCSA-N	-1	1	276.313	2.285	50	30		CEEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000105883421	344257265	/nfs/dbraw/zinc/25/72/65/344257265.db2.gz	ZSJDOBVCASTQRL-LZNQSLFOSA-N	-1	1	270.284	2.223	50	30		CEEAMM
Cc1ocnc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1	ZINC000105756966	186070481	/nfs/dbraw/zinc/07/04/81/186070481.db2.gz	RMJLYCHAUOUDML-GFCCVEGCSA-N	-1	1	283.287	2.253	50	30		CEEAMM
N/C(=N/[O-])c1ccccc1OCc1cnc(Cl)s1	ZINC000013395631	361426772	/nfs/dbraw/zinc/42/67/72/361426772.db2.gz	LXBBAINDYPISDL-UHFFFAOYSA-N	-1	1	283.740	2.470	50	30		CEEAMM
CCOc1cc(/C=N/[O-])c(Br)cc1O	ZINC000013914223	361443983	/nfs/dbraw/zinc/44/39/83/361443983.db2.gz	WVQJMRRIQDLMDY-VZUCSPMQSA-N	-1	1	260.087	2.362	50	30		CEEAMM
CC(=O)N1CCC[C@H](/C(=N/[O-])c2ccc(F)cc2F)C1	ZINC000100907307	364552981	/nfs/dbraw/zinc/55/29/81/364552981.db2.gz	AWSUAHNYEZBUEP-PXAAABLISA-N	-1	1	282.290	2.402	50	30		CEEAMM
O=NC=C1C=CN(CC(=O)N=C2C=CC(C(=O)[O-])C=C2)C=C1	ZINC000334156974	380245504	/nfs/dbraw/zinc/24/55/04/380245504.db2.gz	LMLUUOWMPJIHIH-UHFFFAOYSA-N	-1	1	299.286	2.401	50	30		CEEAMM
O=S(=O)(c1sccc1/C=N/[O-])c1ccccc1	ZINC000000313154	296475024	/nfs/dbraw/zinc/47/50/24/296475024.db2.gz	HYCZWNNVVNOMBM-XYOKQWHBSA-N	-1	1	267.331	2.389	50	30		CEEAMM
Cc1c([O-])c(O)c2c(c1O)C(=O)C(Cl)=C(Cl)C2=O	ZINC000000518691	394450122	/nfs/dbraw/zinc/45/01/22/394450122.db2.gz	VPFGQTGXNJSBKO-UHFFFAOYSA-N	-1	1	289.070	2.180	50	30		CEEAMM
CCCC/N=C1/SC(CC(=O)[O-])C(=O)N1CCCC	ZINC000005950987	170160934	/nfs/dbraw/zinc/16/09/34/170160934.db2.gz	ISWVNHCYOWWPRS-NJERVBSYSA-N	-1	1	286.397	2.361	50	30		CEEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)s1	ZINC000105639671	186066699	/nfs/dbraw/zinc/06/66/99/186066699.db2.gz	HIXZAWPRDGXPQF-SZZPACECSA-N	-1	1	276.313	2.285	50	30		CEEAMM
C/C(=N\Nc1ccccc1)c1c([O-])cc(C)oc1=O	ZINC000013125187	361419832	/nfs/dbraw/zinc/41/98/32/361419832.db2.gz	DDTGDSPSQITKOT-XNTDXEJSSA-N	-1	1	258.277	2.490	50	30		CEEAMM
C=CCn1c(CC(=O)Nc2ccccc2F)n[n-]c1=S	ZINC000004739097	170008307	/nfs/dbraw/zinc/00/83/07/170008307.db2.gz	WUBSKMPPEIRJHA-UHFFFAOYSA-N	-1	1	292.339	2.447	50	30		CEEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000006270371	170187182	/nfs/dbraw/zinc/18/71/82/170187182.db2.gz	JJOZLDHIKHAJMM-UHFFFAOYSA-N	-1	1	276.292	2.498	50	30		CEEAMM
C[C@H](NC(=O)/C(CCCC#N)=N/[O-])c1ccccc1	ZINC000004012971	343352937	/nfs/dbraw/zinc/35/29/37/343352937.db2.gz	PPIFZCJEGHGAME-ZDQRYUTBSA-N	-1	1	259.309	2.388	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=CC=Cc2ccccc2)c(=O)o1	ZINC000106516722	344258181	/nfs/dbraw/zinc/25/81/81/344258181.db2.gz	FUXBCZLBEXXKEN-OEHVOWKFSA-N	-1	1	282.295	2.471	50	30		CEEAMM
N#CC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1	ZINC000070217954	363057366	/nfs/dbraw/zinc/05/73/66/363057366.db2.gz	YGWUNAQTWPYGBS-UHFFFAOYSA-N	-1	1	264.712	2.421	50	30		CEEAMM
C=CCN1C(=O)/C(=C/C=C/c2ccccc2)C(=O)[N-]C1=S	ZINC000000235339	361150900	/nfs/dbraw/zinc/15/09/00/361150900.db2.gz	YHUMOIMLJUYRIZ-DEKJKZHBSA-N	-1	1	298.367	2.056	50	30		CEEAMM
CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C)cc1	ZINC000013303722	361425316	/nfs/dbraw/zinc/42/53/16/361425316.db2.gz	DGVVOVUMDRXUIO-GZTJUZNOSA-N	-1	1	256.309	2.223	50	30		CEEAMM
COc1ccc(-c2cc(C)[n-]c(=O)c2C#N)cc1OC	ZINC000017137633	361505976	/nfs/dbraw/zinc/50/59/76/361505976.db2.gz	MGVCGSWFYVHWQQ-UHFFFAOYSA-N	-1	1	270.288	2.239	50	30		CEEAMM
CC1(C#N)CCN(C(=O)c2ccc([O-])cc2F)CC1	ZINC000216395794	189703289	/nfs/dbraw/zinc/70/32/89/189703289.db2.gz	UWWXQJOHFNVNFZ-UHFFFAOYSA-N	-1	1	262.284	2.297	50	30		CEEAMM
COc1ccc(C(C)=NNc2n[n-]c(=S)[nH]2)c(OC)c1	ZINC000245253939	370806881	/nfs/dbraw/zinc/80/68/81/370806881.db2.gz	UHEZLPWEOIZSFG-UHFFFAOYSA-N	-1	1	293.352	2.321	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=CC=Cc2ccccc2)c(=O)o1	ZINC000102500611	400254663	/nfs/dbraw/zinc/25/46/63/400254663.db2.gz	FUXBCZLBEXXKEN-BLOPUMAASA-N	-1	1	282.295	2.471	50	30		CEEAMM
C=CCn1c(CC(=O)Nc2ccc(F)cc2)n[n-]c1=S	ZINC000004739118	170008429	/nfs/dbraw/zinc/00/84/29/170008429.db2.gz	SOSXECMUJXEOSH-UHFFFAOYSA-N	-1	1	292.339	2.447	50	30		CEEAMM
N#Cc1c([N-]C(=O)c2ccno2)sc2c1CCC2	ZINC000010253910	283082492	/nfs/dbraw/zinc/08/24/92/283082492.db2.gz	WIIPSDVGALLBPR-UHFFFAOYSA-N	-1	1	259.290	2.349	50	30		CEEAMM
O=C(NO)c1cccc2c1-c1ccccc1/C2=N\[O-]	ZINC000005249570	361331775	/nfs/dbraw/zinc/33/17/75/361331775.db2.gz	XVQZBUJVYWWTSD-FYWRMAATSA-N	-1	1	254.245	2.013	50	30		CEEAMM
O=c1[nH]c2ncccc2nc1C=C([O-])c1ccc(F)cc1	ZINC000100959363	364553308	/nfs/dbraw/zinc/55/33/08/364553308.db2.gz	KGSXFJVLELFBJJ-WQLSENKSSA-N	-1	1	283.262	2.352	50	30		CEEAMM
Cc1n[n-]c(=S)n1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000252613460	371459411	/nfs/dbraw/zinc/45/94/11/371459411.db2.gz	JBTGQVJWHLONPW-UHFFFAOYSA-N	-1	1	263.282	2.040	50	30		CEEAMM
O=C1CS[C@H](c2ccc(Br)cc2)N1[O-]	ZINC000000533103	296342367	/nfs/dbraw/zinc/34/23/67/296342367.db2.gz	ZDWPVYGICPTXOS-SECBINFHSA-N	-1	1	274.139	2.412	50	30		CEEAMM
Cc1[n-]c(=O)c(C#N)cc1-c1ccc2nccn2c1	ZINC000038192538	293345957	/nfs/dbraw/zinc/34/59/57/293345957.db2.gz	JPAWFIIYTJQOKW-UHFFFAOYSA-N	-1	1	250.261	2.282	50	30	in-man	CEEAMM
N#Cc1c[nH]c(C(=O)Nc2ccc(Cl)cc2[O-])c1	ZINC000095974024	185049743	/nfs/dbraw/zinc/04/97/43/185049743.db2.gz	PVWWOXKEOUMIGS-UHFFFAOYSA-N	-1	1	261.668	2.498	50	30		CEEAMM
CCCOc1ccc(C(C#N)=C([O-])C(=O)OCC)cc1	ZINC000002193686	361230498	/nfs/dbraw/zinc/23/04/98/361230498.db2.gz	CGBMQZFCYWMDPB-ZDUSSCGKSA-N	-1	1	275.304	2.215	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc(F)c2)c(=O)o1	ZINC000003543709	361284045	/nfs/dbraw/zinc/28/40/45/361284045.db2.gz	XLLRIASLRGOJRV-VBROQKIQSA-N	-1	1	274.247	2.054	50	30		CEEAMM
Cc1n[n-]c(=S)n1N=Cc1cccc([N+](=O)[O-])c1	ZINC000252623513	371459677	/nfs/dbraw/zinc/45/96/77/371459677.db2.gz	OTEQUQRHVICFAW-UHFFFAOYSA-N	-1	1	263.282	2.040	50	30		CEEAMM
C=CCOc1ccc(CNn2cn[n-]c2=S)cc1OC	ZINC000006603507	394459709	/nfs/dbraw/zinc/45/97/09/394459709.db2.gz	JDMFLGNQDMILRY-UHFFFAOYSA-N	-1	1	292.364	2.258	50	30		CEEAMM
CCOc1ccc(-c2n[n-]c(=S)n2NCCC#N)cc1	ZINC000005900458	170152750	/nfs/dbraw/zinc/15/27/50/170152750.db2.gz	ZJWVCMPZFRRRJY-UHFFFAOYSA-N	-1	1	289.364	2.464	50	30		CEEAMM
C#CCOCCC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000097236620	344244118	/nfs/dbraw/zinc/24/41/18/344244118.db2.gz	RGPDZPIWSUEOPP-UHFFFAOYSA-N	-1	1	253.685	2.024	50	30		CEEAMM
C=CCc1c(C)[n-]n(-c2nc3ccccc3[nH]2)c1=O	ZINC000100430453	394704567	/nfs/dbraw/zinc/70/45/67/394704567.db2.gz	XCFPXJCACSYPLT-UHFFFAOYSA-N	-1	1	254.293	2.491	50	30		CEEAMM
O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1[O-]	ZINC000000079945	534852786	/nfs/dbraw/zinc/85/27/86/534852786.db2.gz	LCMASBMIPGOXBS-AWEZNQCLSA-N	-1	1	284.271	2.371	50	30		CEEAMM
CS(=O)(=O)c1n[n-]c(-c2cccc(Cl)c2)c1C#N	ZINC000000095679	361127977	/nfs/dbraw/zinc/12/79/77/361127977.db2.gz	QDWFYLQPXZWIGL-UHFFFAOYSA-N	-1	1	281.724	2.005	50	30		CEEAMM
COC(=O)C1=C([O-])CSC1=Nc1ccc(C)cc1	ZINC000000372084	361167211	/nfs/dbraw/zinc/16/72/11/361167211.db2.gz	QKHDEXMHUTVFMR-UHFFFAOYSA-N	-1	1	263.318	2.107	50	30		CEEAMM
C=C[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000133043257	344367135	/nfs/dbraw/zinc/36/71/35/344367135.db2.gz	ITOZUODJXHHTNS-SSDOTTSWSA-N	-1	1	263.721	2.332	50	30		CEEAMM
CO[N-]C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O	ZINC000053791365	362499248	/nfs/dbraw/zinc/49/92/48/362499248.db2.gz	QHVCYLMWWZYKPQ-GFCCVEGCSA-N	-1	1	262.309	2.174	50	30		CEEAMM
Cc1cc(=O)[n-]c(NN=Cc2ccc(F)c(F)c2)n1	ZINC000606346825	347466312	/nfs/dbraw/zinc/46/63/12/347466312.db2.gz	BYVOSIXSLSFWBC-UHFFFAOYSA-N	-1	1	264.235	2.215	50	30		CEEAMM
C=CCN1C(=O)NC(=O)C(=C([O-])C=Cc2ccncc2)C1=O	ZINC000101234301	364555573	/nfs/dbraw/zinc/55/55/73/364555573.db2.gz	CUWVFZNNLWCRAI-PKLSXISYSA-N	-1	1	299.286	2.012	50	30		CEEAMM
CCCCCCC(C)=NN=C1NC(=O)C(CC(=O)[O-])S1	ZINC000252628973	371460982	/nfs/dbraw/zinc/46/09/82/371460982.db2.gz	TVXRWNAUYRRHFW-JTQLQIEISA-N	-1	1	299.396	2.395	50	30		CEEAMM
C=COCCSc1nnc(NN=Cc2ccco2)[n-]1	ZINC000020161344	394471241	/nfs/dbraw/zinc/47/12/41/394471241.db2.gz	QAFDSMBEZBCGBC-XYOKQWHBSA-N	-1	1	279.325	2.096	50	30		CEEAMM
CC(=NNc1nnc(SCC#N)[n-]1)c1ccc(F)cc1	ZINC000006854972	170249548	/nfs/dbraw/zinc/24/95/48/170249548.db2.gz	UIDKHBASVSHXGD-PXNMLYILSA-N	-1	1	290.327	2.396	50	30		CEEAMM
C#CCOc1ccccc1C=C1SC(=S)[N-]C1=O	ZINC000007155207	170269468	/nfs/dbraw/zinc/26/94/68/170269468.db2.gz	KEAJBWBKMDAYLT-FLIBITNWSA-N	-1	1	275.354	2.187	50	30		CEEAMM
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](/C=N\[O-])C1=O	ZINC000013154720	281421773	/nfs/dbraw/zinc/42/17/73/281421773.db2.gz	KLYUTOYMOGYVCW-UIKYOSCFSA-N	-1	1	287.271	2.077	50	30		CEEAMM
O=[N+]([O-])c1cccc(CN=Nc2ccc(Cl)nn2)c1[O-]	ZINC000034925471	361796777	/nfs/dbraw/zinc/79/67/77/361796777.db2.gz	VKWVGCRAZGYMGA-AWNIVKPZSA-N	-1	1	293.670	2.190	50	30		CEEAMM
Cc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000105639567	186067009	/nfs/dbraw/zinc/06/70/09/186067009.db2.gz	YOEZOGCBFWCKAF-IDTUSYRASA-N	-1	1	270.284	2.223	50	30		CEEAMM
CCn1cc([C@@H]2Nc3ccccc3C(=O)N2[O-])c(C)n1	ZINC000000373588	361167023	/nfs/dbraw/zinc/16/70/23/361167023.db2.gz	XDMRESDZJIMMOY-CYBMUJFWSA-N	-1	1	272.308	2.167	50	30		CEEAMM
CCCCCCCC(=O)C1=C([O-])C[C@@H](C)OC1=O	ZINC000100354053	624642890	/nfs/dbraw/zinc/64/28/90/624642890.db2.gz	GRYMMVOHUKXQFH-MFKMUULPSA-N	-1	1	254.326	2.437	50	30		CEEAMM
C=CCc1cccc(C=C2SC(=O)[N-]C2=O)c1O	ZINC000032224333	361733866	/nfs/dbraw/zinc/73/38/66/361733866.db2.gz	UICSNKSTDMTPSW-JXMROGBWSA-N	-1	1	261.302	2.445	50	30		CEEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000000151675	361135814	/nfs/dbraw/zinc/13/58/14/361135814.db2.gz	MFGPRXPCLKNJJM-UHFFFAOYSA-N	-1	1	258.302	2.359	50	30		CEEAMM
CC(=NNc1ccc(F)cc1)c1ccc([O-])c(C(N)=O)c1	ZINC000003908920	361294111	/nfs/dbraw/zinc/29/41/11/361294111.db2.gz	HUBNKOWQTQSTOC-NVMNQCDNSA-N	-1	1	287.294	2.466	50	30		CEEAMM
COc1cccc(NC=CC(=O)C2=C([O-])CCCC2=O)c1	ZINC000100373611	364545138	/nfs/dbraw/zinc/54/51/38/364545138.db2.gz	BJAKXHMBFUBIRG-HJWRWDBZSA-N	-1	1	287.315	2.128	50	30		CEEAMM
O=C1c2ccccc2S(=O)(=O)[N-]/C1=C\c1ccccc1	ZINC000101378876	400251157	/nfs/dbraw/zinc/25/11/57/400251157.db2.gz	JJAVLZHHHARWEY-RAXLEYEMSA-N	-1	1	285.324	2.202	50	30		CEEAMM
O=C([O-])CC1S/C(=N/N=C2CCCCCCC2)NC1=O	ZINC000005456153	170100885	/nfs/dbraw/zinc/10/08/85/170100885.db2.gz	RAPQPKYGUWUVAF-SNVBAGLBSA-N	-1	1	297.380	2.149	50	30		CEEAMM
O=C1c2ccc([O-])cc2CC/C1=C/c1csnn1	ZINC000606442455	347473919	/nfs/dbraw/zinc/47/39/19/347473919.db2.gz	CZQJWFFPZOLSSC-UITAMQMPSA-N	-1	1	258.302	2.456	50	30		CEEAMM
O=C(C=C([O-])C(=O)Nc1nccs1)c1ccccc1	ZINC000100330969	364544038	/nfs/dbraw/zinc/54/40/38/364544038.db2.gz	XYJXTYBBCTZHFN-FLIBITNWSA-N	-1	1	274.301	2.406	50	30		CEEAMM
Cc1ccccc1/N=C1/SC(CC(=O)[O-])C(=O)N1C	ZINC000004942618	170043047	/nfs/dbraw/zinc/04/30/47/170043047.db2.gz	GOIISWSPEYRRBG-WBNXYMAISA-N	-1	1	278.333	2.031	50	30		CEEAMM
Cc1ccc(C=NN=C2NC(=O)C(CC(=O)[O-])S2)s1	ZINC000263626926	631546132	/nfs/dbraw/zinc/54/61/32/631546132.db2.gz	FBENZQSCNHOSSL-MRVPVSSYSA-N	-1	1	297.361	2.293	50	30		CEEAMM
N#Cc1ccccc1CSc1nc2[nH]cnc2c(=O)[n-]1	ZINC000033027617	361770000	/nfs/dbraw/zinc/77/00/00/361770000.db2.gz	SRAZXSUKBYYBGM-UHFFFAOYSA-N	-1	1	283.316	2.222	50	30		CEEAMM
Cc1ocnc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1	ZINC000105756962	186070586	/nfs/dbraw/zinc/07/05/86/186070586.db2.gz	RMJLYCHAUOUDML-LBPRGKRZSA-N	-1	1	283.287	2.253	50	30		CEEAMM
CS(=O)(=O)c1[n-]nc(-c2ccc(Cl)cc2)c1C#N	ZINC000000095691	361127443	/nfs/dbraw/zinc/12/74/43/361127443.db2.gz	SXJRGUKPGQCYQF-UHFFFAOYSA-N	-1	1	281.724	2.005	50	30		CEEAMM
CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)c1C#N	ZINC000000095691	361127450	/nfs/dbraw/zinc/12/74/50/361127450.db2.gz	SXJRGUKPGQCYQF-UHFFFAOYSA-N	-1	1	281.724	2.005	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(F)ccc2F)c(=O)o1	ZINC000044013265	175138562	/nfs/dbraw/zinc/13/85/62/175138562.db2.gz	QTQWPLODBFTDTB-IWZWCOEHSA-N	-1	1	292.237	2.193	50	30		CEEAMM
C=C(C)COc1ccccc1CN[C@@H](C)c1nnn[n-]1	ZINC000055414723	518623413	/nfs/dbraw/zinc/62/34/13/518623413.db2.gz	JAMDCXVYANGWND-NSHDSACASA-N	-1	1	273.340	2.005	50	30		CEEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000040116180	361990567	/nfs/dbraw/zinc/99/05/67/361990567.db2.gz	USDWPJATTJXJAK-UHFFFAOYSA-N	-1	1	296.392	2.168	50	30		CEEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc2c(c1)CCC2	ZINC000040116180	361990571	/nfs/dbraw/zinc/99/05/71/361990571.db2.gz	USDWPJATTJXJAK-UHFFFAOYSA-N	-1	1	296.392	2.168	50	30		CEEAMM
CCCOc1ccc(C(C#N)=C([O-])C(=O)OCC)cc1	ZINC000002193685	361229723	/nfs/dbraw/zinc/22/97/23/361229723.db2.gz	CGBMQZFCYWMDPB-CYBMUJFWSA-N	-1	1	275.304	2.215	50	30		CEEAMM
C=CCSc1nc(C)c(CC(=O)OCC(C)C)c(=O)[n-]1	ZINC000018189488	361517236	/nfs/dbraw/zinc/51/72/36/361517236.db2.gz	KWERTGHDYUDGNV-UHFFFAOYSA-N	-1	1	296.392	2.098	50	30		CEEAMM
O=C1N([O-])[C@@]2(C=CCCC2)C(=NO)C12CCCCC2	ZINC000252603692	371459057	/nfs/dbraw/zinc/45/90/57/371459057.db2.gz	FTANTFDDWBMRRV-CQSZACIVSA-N	-1	1	264.325	2.477	50	30		CEEAMM
N#Cc1ccc(-c2ccc(/C=C3/NC(=S)[N-]C3=O)o2)cc1	ZINC000009324072	170372527	/nfs/dbraw/zinc/37/25/27/170372527.db2.gz	KRWOOUMHAWZZGD-KPKJPENVSA-N	-1	1	295.323	2.163	50	30		CEEAMM
CN(C)c1ccc(-c2[nH]c(=S)[n-]c(=O)c2C#N)cc1	ZINC000016739894	361497354	/nfs/dbraw/zinc/49/73/54/361497354.db2.gz	NZCHSGKDKQKDBL-UHFFFAOYSA-N	-1	1	272.333	2.449	50	30		CEEAMM
CCOc1cc(C=Nn2c(C)n[n-]c2=S)ccc1O	ZINC000006499555	170207365	/nfs/dbraw/zinc/20/73/65/170207365.db2.gz	WKUKZXMRJYUVSD-NTUHNPAUSA-N	-1	1	278.337	2.236	50	30		CEEAMM
COC(=O)c1nc(NC(=O)CCc2ccc(C)cc2)n[n-]1	ZINC000044910142	175275654	/nfs/dbraw/zinc/27/56/54/175275654.db2.gz	UNZHCCBJXDGPDN-UHFFFAOYSA-N	-1	1	288.307	2.121	50	30		CEEAMM
COC(=O)c1n[n-]c(NC(=O)CCc2ccc(C)cc2)n1	ZINC000044910142	175275655	/nfs/dbraw/zinc/27/56/55/175275655.db2.gz	UNZHCCBJXDGPDN-UHFFFAOYSA-N	-1	1	288.307	2.121	50	30		CEEAMM
CS(=O)(=O)c1n[n-]c(-c2ccccc2Cl)c1C#N	ZINC000000095717	361127530	/nfs/dbraw/zinc/12/75/30/361127530.db2.gz	WHBDJSQCCZQGBD-UHFFFAOYSA-N	-1	1	281.724	2.005	50	30		CEEAMM
COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000012659311	361395276	/nfs/dbraw/zinc/39/52/76/361395276.db2.gz	JCWTXBDZUABASM-UHFFFAOYSA-N	-1	1	286.213	2.468	50	30		CEEAMM
Cc1ccccc1NC=CC(=O)C1=C([O-])CCCC1=O	ZINC000100108614	364540374	/nfs/dbraw/zinc/54/03/74/364540374.db2.gz	PSFQWQOITXPYCD-KTKRTIGZSA-N	-1	1	271.316	2.428	50	30		CEEAMM
CC(=O)N1CC(=O)N([O-])[C@@H]1c1ccc(Cl)cc1Cl	ZINC000005283471	394458439	/nfs/dbraw/zinc/45/84/39/394458439.db2.gz	ROFZXQOKCCFAIG-LLVKDONJSA-N	-1	1	289.118	2.072	50	30		CEEAMM
C=CCOc1ccc(CNn2cn[n-]c2=S)cc1	ZINC000006192668	170182215	/nfs/dbraw/zinc/18/22/15/170182215.db2.gz	LGFCDHXDECRMAF-UHFFFAOYSA-N	-1	1	262.338	2.249	50	30		CEEAMM
C=CCn1nc(CNc2ccc(Cl)cc2)[n-]c1=O	ZINC000044920899	175277254	/nfs/dbraw/zinc/27/72/54/175277254.db2.gz	NVNQJPMEMYXKKV-UHFFFAOYSA-N	-1	1	264.716	2.023	50	30		CEEAMM
CS[C@@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000032627362	361748181	/nfs/dbraw/zinc/74/81/81/361748181.db2.gz	GKPWTZCCHDTLDE-VKHMYHEASA-N	-1	1	254.237	2.163	50	30		CEEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1	ZINC000072301032	343803703	/nfs/dbraw/zinc/80/37/03/343803703.db2.gz	ZJKWAUPRJIIITE-UHFFFAOYSA-N	-1	1	292.291	2.204	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(F)cc2)c(=O)o1	ZINC000035252945	394493833	/nfs/dbraw/zinc/49/38/33/394493833.db2.gz	CCXVQRRMKAWQGO-HJHHMULASA-N	-1	1	274.247	2.054	50	30		CEEAMM
COc1cc(Br)c(/C=N/[O-])cc1OC	ZINC000100318551	286191060	/nfs/dbraw/zinc/19/10/60/286191060.db2.gz	DRNIQPYEMBUSDB-VZUCSPMQSA-N	-1	1	260.087	2.274	50	30		CEEAMM
CCOc1cc(-c2[nH]c(=S)[n-]c(=O)c2C#N)ccc1O	ZINC000010035305	170396256	/nfs/dbraw/zinc/39/62/56/170396256.db2.gz	PJFIHIFMJHOBAT-UHFFFAOYSA-N	-1	1	289.316	2.488	50	30		CEEAMM
C=CCOc1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1	ZINC000002268212	361231645	/nfs/dbraw/zinc/23/16/45/361231645.db2.gz	SLVBTWNPIQXRCM-UHFFFAOYSA-N	-1	1	288.328	2.006	50	30		CEEAMM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1	ZINC000002268212	361231649	/nfs/dbraw/zinc/23/16/49/361231649.db2.gz	SLVBTWNPIQXRCM-UHFFFAOYSA-N	-1	1	288.328	2.006	50	30		CEEAMM
C=CCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000002268212	361231654	/nfs/dbraw/zinc/23/16/54/361231654.db2.gz	SLVBTWNPIQXRCM-UHFFFAOYSA-N	-1	1	288.328	2.006	50	30		CEEAMM
Cc1cc(=O)[n-]c(NN=Cc2c[nH]c3ccccc23)n1	ZINC000013637757	361434953	/nfs/dbraw/zinc/43/49/53/361434953.db2.gz	RGBPNWBXKNLZKH-LZYBPNLTSA-N	-1	1	267.292	2.006	50	30		CEEAMM
c1ccc(COc2ccc(CN=Nc3nn[n-]n3)cc2)cc1	ZINC000016480340	361489318	/nfs/dbraw/zinc/48/93/18/361489318.db2.gz	PQFWHHVAMFKUNZ-MHWRWJLKSA-N	-1	1	294.318	2.225	50	30		CEEAMM
O=C1C(=O)C(CN2CCCCC2)=C([O-])c2ccccc21	ZINC000019892844	361564944	/nfs/dbraw/zinc/56/49/44/361564944.db2.gz	RRMVEGSOVXKGPK-UHFFFAOYSA-N	-1	1	271.316	2.364	50	30		CEEAMM
O=C1C(=O)C(n2nnc3ccccc32)=C([O-])c2ccccc21	ZINC000020461770	361583032	/nfs/dbraw/zinc/58/30/32/361583032.db2.gz	LNPNEQFHAPZBKD-UHFFFAOYSA-N	-1	1	291.266	2.237	50	30		CEEAMM
O=C1CS[C@@H](c2ccc(Br)cc2)N1[O-]	ZINC000000533102	296342002	/nfs/dbraw/zinc/34/20/02/296342002.db2.gz	ZDWPVYGICPTXOS-VIFPVBQESA-N	-1	1	274.139	2.412	50	30		CEEAMM
O=C1c2ccccc2S(=O)(=O)[N-]/C1=C\c1cccs1	ZINC000009421830	285025735	/nfs/dbraw/zinc/02/57/35/285025735.db2.gz	KESOFPZGISYIOQ-FLIBITNWSA-N	-1	1	291.353	2.264	50	30		CEEAMM
CCOC(=O)c1ccccc1C=Nn1c(C)n[n-]c1=S	ZINC000005686451	170128935	/nfs/dbraw/zinc/12/89/35/170128935.db2.gz	IMIJIIBWWKPIQI-RIYZIHGNSA-N	-1	1	290.348	2.308	50	30		CEEAMM
C=C(C)Cn1c2c(c(=O)[n-]c1=S)CN(C(C)C)CN2	ZINC000020549671	171246552	/nfs/dbraw/zinc/24/65/52/171246552.db2.gz	IONRIZOPUGCXNC-UHFFFAOYSA-N	-1	1	280.397	2.075	50	30		CEEAMM
O=[N+]([O-])c1ccc([O-])c(CN=Nc2ccc(Cl)nn2)c1	ZINC000034925472	361796173	/nfs/dbraw/zinc/79/61/73/361796173.db2.gz	RXUSEZZZIHWVMC-AWNIVKPZSA-N	-1	1	293.670	2.190	50	30		CEEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000036395652	361846092	/nfs/dbraw/zinc/84/60/92/361846092.db2.gz	NAOCSPQAULLYMB-UHFFFAOYSA-N	-1	1	290.772	2.332	50	30		CEEAMM
CCCCNC([O-])=NS(=O)(=O)c1cccc(Cl)c1	ZINC000036395652	361846096	/nfs/dbraw/zinc/84/60/96/361846096.db2.gz	NAOCSPQAULLYMB-UHFFFAOYSA-N	-1	1	290.772	2.332	50	30		CEEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000105883424	344257307	/nfs/dbraw/zinc/25/73/07/344257307.db2.gz	ZSJDOBVCASTQRL-ZPIQOJFGSA-N	-1	1	270.284	2.223	50	30		CEEAMM
Cc1[n-]c(=O)c(C#N)cc1-c1ncnn1C1CCCCC1	ZINC000091943342	180290222	/nfs/dbraw/zinc/29/02/22/180290222.db2.gz	QARXARXINSDIMM-UHFFFAOYSA-N	-1	1	283.335	2.319	50	30		CEEAMM
COc1cc(OC)c(/C=N/[O-])cc1Br	ZINC000000095854	361127744	/nfs/dbraw/zinc/12/77/44/361127744.db2.gz	YBMJHRFUPLUACU-VZUCSPMQSA-N	-1	1	260.087	2.274	50	30		CEEAMM
C=CCN1C(=O)C(=CC=Cc2ccco2)C(=O)[N-]C1=S	ZINC000000502064	361181664	/nfs/dbraw/zinc/18/16/64/361181664.db2.gz	WAAPMIBRCIPGTL-RBMCBPMHSA-N	-1	1	288.328	2.489	50	30		CEEAMM
COc1cc(C)nc(Oc2ccc(/C=N/[O-])cc2)n1	ZINC000013113787	361420025	/nfs/dbraw/zinc/42/00/25/361420025.db2.gz	WPQNKFTYUFCPOA-RIYZIHGNSA-N	-1	1	259.265	2.394	50	30		CEEAMM
N#Cc1c(=O)[n-]c(=S)[nH]c1-c1ccc([N+](=O)[O-])cc1	ZINC000017007255	361501532	/nfs/dbraw/zinc/50/15/32/361501532.db2.gz	AGXNLNMPHFXGSH-UHFFFAOYSA-N	-1	1	274.261	2.292	50	30		CEEAMM
CC(=O)N1CC(=O)N([O-])[C@H]1c1ccc(Cl)cc1Cl	ZINC000005283472	394458384	/nfs/dbraw/zinc/45/83/84/394458384.db2.gz	ROFZXQOKCCFAIG-NSHDSACASA-N	-1	1	289.118	2.072	50	30		CEEAMM
O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1[O-]	ZINC000000079902	259998596	/nfs/dbraw/zinc/99/85/96/259998596.db2.gz	KSGSHRAZEGUTGH-ZDUSSCGKSA-N	-1	1	256.261	2.348	50	30		CEEAMM
O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1[O-]	ZINC000000079951	534853024	/nfs/dbraw/zinc/85/30/24/534853024.db2.gz	LCMASBMIPGOXBS-CQSZACIVSA-N	-1	1	284.271	2.371	50	30		CEEAMM
N#CCOc1ccccc1C=C1SC(=S)[N-]C1=O	ZINC000002912116	361258925	/nfs/dbraw/zinc/25/89/25/361258925.db2.gz	HHXYBQYIWVWUEL-JXMROGBWSA-N	-1	1	276.342	2.078	50	30		CEEAMM
O=C1N([O-])[C@]2(C=CCCC2)/C(=N/O)C12CCCCC2	ZINC000004495718	361318620	/nfs/dbraw/zinc/31/86/20/361318620.db2.gz	FTANTFDDWBMRRV-AYYGCFCKSA-N	-1	1	264.325	2.477	50	30		CEEAMM
C#CC(CC)(CC)[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000013321513	361424657	/nfs/dbraw/zinc/42/46/57/361424657.db2.gz	NFSDVJRSOGDESA-UHFFFAOYSA-N	-1	1	287.331	2.435	50	30		CEEAMM
C=CCNc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1	ZINC000005976033	394459515	/nfs/dbraw/zinc/45/95/15/394459515.db2.gz	PIYLJXMFOXPFOH-UHFFFAOYSA-N	-1	1	275.333	2.213	50	30		CEEAMM
CCOc1cc(C=NNc2n[n-]c(=S)[nH]2)ccc1O	ZINC000008254224	170327420	/nfs/dbraw/zinc/32/74/20/170327420.db2.gz	VAHXJEJQFPBFNY-WUXMJOGZSA-N	-1	1	279.325	2.018	50	30		CEEAMM
CCCCCCCC(=O)C1=C([O-])C[C@H](C)OC1=O	ZINC000100354039	622862865	/nfs/dbraw/zinc/86/28/65/622862865.db2.gz	GRYMMVOHUKXQFH-GXFFZTMASA-N	-1	1	254.326	2.437	50	30		CEEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)s1	ZINC000105639666	186067260	/nfs/dbraw/zinc/06/72/60/186067260.db2.gz	HIXZAWPRDGXPQF-CFHLNLSMSA-N	-1	1	276.313	2.285	50	30		CEEAMM
CC(=O)N1CCC[C@@H](/C(=N/[O-])c2ccc(F)cc2F)C1	ZINC000100907309	364553037	/nfs/dbraw/zinc/55/30/37/364553037.db2.gz	AWSUAHNYEZBUEP-BXWLNTHASA-N	-1	1	282.290	2.402	50	30		CEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000007052503	170264112	/nfs/dbraw/zinc/26/41/12/170264112.db2.gz	KYMLGUHTWJQVFT-UHFFFAOYSA-N	-1	1	258.302	2.359	50	30		CEEAMM
C=CCN1C(=O)C(=CC=Cc2ccco2)C(=O)[N-]C1=S	ZINC000009058633	170362566	/nfs/dbraw/zinc/36/25/66/170362566.db2.gz	WAAPMIBRCIPGTL-PGACXJNKSA-N	-1	1	288.328	2.060	50	30		CEEAMM
N#Cc1c(=O)[nH]c(=S)[nH]c1-c1c([O-])ccc2ccccc21	ZINC000226762079	303174109	/nfs/dbraw/zinc/17/41/09/303174109.db2.gz	GUBNNPHQRNLKFO-UHFFFAOYSA-N	-1	1	295.323	2.456	50	30		CEEAMM
CCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000003582055	361286074	/nfs/dbraw/zinc/28/60/74/361286074.db2.gz	OUZTXUIDWWGOQM-FDMDGMSGSA-N	-1	1	284.311	2.477	50	30		CEEAMM
CCCc1cc(=O)[n-]c(NN=Cc2ccc(C)cc2)n1	ZINC000004423966	361316401	/nfs/dbraw/zinc/31/64/01/361316401.db2.gz	XKZPLVXJMXAYRI-MHWRWJLKSA-N	-1	1	270.336	2.477	50	30		CEEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1	ZINC000097047006	364431981	/nfs/dbraw/zinc/43/19/81/364431981.db2.gz	RAZGKTFASIVWFM-UHFFFAOYSA-N	-1	1	293.735	2.407	50	30		CEEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000102500645	400254752	/nfs/dbraw/zinc/25/47/52/400254752.db2.gz	ZSJDOBVCASTQRL-MVGZEHJDSA-N	-1	1	270.284	2.223	50	30		CEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000007401951	170283113	/nfs/dbraw/zinc/28/31/13/170283113.db2.gz	GOJDCQVCJVJZJK-UHFFFAOYSA-N	-1	1	276.292	2.498	50	30		CEEAMM
Oc1ccc(Br)c(C=Nn2cn[n-]c2=S)c1	ZINC000002788762	361251600	/nfs/dbraw/zinc/25/16/00/361251600.db2.gz	UZRYXLKASTUYLH-UUILKARUSA-N	-1	1	299.153	2.291	50	30		CEEAMM
C#Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000003883592	361293246	/nfs/dbraw/zinc/29/32/46/361293246.db2.gz	VVWSLOVTMNCKFR-UHFFFAOYSA-N	-1	1	257.314	2.469	50	30		CEEAMM
O=C([O-])C(N=Nc1ccccc1O)c1ccccc1	ZINC000012366794	361379017	/nfs/dbraw/zinc/37/90/17/361379017.db2.gz	RBMRUYVRTSHWEZ-DTQAZKPQSA-N	-1	1	256.261	2.293	50	30		CEEAMM
Nc1nc2c(-c3ccccc3)c([O-])cn2c2ccccc12	ZINC000012376066	361380879	/nfs/dbraw/zinc/38/08/79/361380879.db2.gz	XIPRUQWVAIFRSC-UHFFFAOYSA-N	-1	1	275.311	2.163	50	30		CEEAMM
CCOC(=O)C(Cl)=N[N-]c1ccc(C)cc1[N+](=O)[O-]	ZINC000100207338	364541657	/nfs/dbraw/zinc/54/16/57/364541657.db2.gz	VTYRGKOCSXKHPS-GXDHUFHOSA-N	-1	1	285.687	2.431	50	30		CEEAMM
C#Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000022475063	394474041	/nfs/dbraw/zinc/47/40/41/394474041.db2.gz	IVKXDPBOVUPHLO-UHFFFAOYSA-N	-1	1	282.324	2.340	50	30		CEEAMM
CC(=O)SCC([O-])=C(C#N)c1nc2ccccc2o1	ZINC000009452464	170377332	/nfs/dbraw/zinc/37/73/32/170377332.db2.gz	WDYHZUGNZVKLPM-SECBINFHSA-N	-1	1	274.301	2.284	50	30		CEEAMM
COC(=O)C([O-])=C(C#N)c1ccc(Cl)cc1Cl	ZINC000041405579	362033502	/nfs/dbraw/zinc/03/35/02/362033502.db2.gz	KUIOYOUVZXQQAO-MRVPVSSYSA-N	-1	1	272.087	2.343	50	30		CEEAMM
CO[N-]C(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O	ZINC000053791366	362499885	/nfs/dbraw/zinc/49/98/85/362499885.db2.gz	QHVCYLMWWZYKPQ-LBPRGKRZSA-N	-1	1	262.309	2.174	50	30		CEEAMM
CCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000105639603	186066801	/nfs/dbraw/zinc/06/68/01/186066801.db2.gz	OUZTXUIDWWGOQM-QWGSZXSUSA-N	-1	1	284.311	2.477	50	30		CEEAMM
COc1cccc([C@H]2Nc3ccccc3C(=O)N2[O-])c1O	ZINC000000204445	286469938	/nfs/dbraw/zinc/46/99/38/286469938.db2.gz	ALSPBPOXXIUURS-AWEZNQCLSA-N	-1	1	286.287	2.357	50	30		CEEAMM
CCCC/N=C1/SC(CC(=O)[O-])C(=O)N1CCCC	ZINC000005950988	170160772	/nfs/dbraw/zinc/16/07/72/170160772.db2.gz	ISWVNHCYOWWPRS-WBNXYMAISA-N	-1	1	286.397	2.361	50	30		CEEAMM
CC(=NNc1n[n-]c(=S)[nH]1)c1ccc2c(c1)OCO2	ZINC000020608304	171267702	/nfs/dbraw/zinc/26/77/02/171267702.db2.gz	BNPWHOCRDXHAPU-AWNIVKPZSA-N	-1	1	277.309	2.032	50	30		CEEAMM
Cc1cc(-c2cccc([N+](=O)[O-])c2)c(C#N)c(=O)[n-]1	ZINC000004888965	301034545	/nfs/dbraw/zinc/03/45/45/301034545.db2.gz	WQCYJCOIKGPGJQ-UHFFFAOYSA-N	-1	1	255.233	2.130	50	30		CEEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)NC2CCCC2)cc1	ZINC000000002194	361116953	/nfs/dbraw/zinc/11/69/53/361116953.db2.gz	SHVCKTUQDUTJDT-UHFFFAOYSA-N	-1	1	282.365	2.130	50	30	in-man	CEEAMM
Cc1ccc(S(=O)(=O)N=C([O-])NC2CCCC2)cc1	ZINC000000002194	361116957	/nfs/dbraw/zinc/11/69/57/361116957.db2.gz	SHVCKTUQDUTJDT-UHFFFAOYSA-N	-1	1	282.365	2.130	50	30	in-man	CEEAMM
C#C[C@](C)(CC)OC(=O)[N-]C(=O)c1ccccc1F	ZINC000002161454	361229022	/nfs/dbraw/zinc/22/90/22/361229022.db2.gz	NNOHNJJBLTXGAI-CQSZACIVSA-N	-1	1	263.268	2.494	50	30		CEEAMM
C=C(C)C(=O)Nc1cc(=O)n(-c2cccc(Cl)c2)[n-]1	ZINC000002163806	361229124	/nfs/dbraw/zinc/22/91/24/361229124.db2.gz	SHXCBZAXTHBNBA-UHFFFAOYSA-N	-1	1	277.711	2.083	50	30		CEEAMM
CCCCOC(=O)C(C#N)=N[N-]c1ccc([N+](=O)[O-])cc1	ZINC000004948767	170044621	/nfs/dbraw/zinc/04/46/21/170044621.db2.gz	NEFBIBFUIBSYDT-VBKFSLOCSA-N	-1	1	290.279	2.230	50	30		CEEAMM
CC(=O)SCC([O-])=C(C#N)c1nc2ccccc2o1	ZINC000009452470	170377320	/nfs/dbraw/zinc/37/73/20/170377320.db2.gz	WDYHZUGNZVKLPM-VIFPVBQESA-N	-1	1	274.301	2.284	50	30		CEEAMM
O=C1c2ccccc2N[C@H](c2ccccc2O)N1[O-]	ZINC000000079925	534852806	/nfs/dbraw/zinc/85/28/06/534852806.db2.gz	YWNTUOFSCXUWIK-ZDUSSCGKSA-N	-1	1	256.261	2.348	50	30		CEEAMM
C#CCSc1nc(C)c(CCC(C)C)c(=O)[n-]1	ZINC000075286612	343845631	/nfs/dbraw/zinc/84/56/31/343845631.db2.gz	VAEZOEGOLJZIPO-UHFFFAOYSA-N	-1	1	250.367	2.392	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccccc2C)c(=O)o1	ZINC000105639525	186067018	/nfs/dbraw/zinc/06/70/18/186067018.db2.gz	FJBIUVWIYNLXKU-LZNQSLFOSA-N	-1	1	270.284	2.223	50	30		CEEAMM
COc1cc(C(=O)N[C@H](C#N)C2CC2)cc(Cl)c1[O-]	ZINC000135087351	366394306	/nfs/dbraw/zinc/39/43/06/366394306.db2.gz	GDMJTNSYKMPDCZ-SNVBAGLBSA-N	-1	1	280.711	2.086	50	30		CEEAMM
N/C(=N\[O-])c1nccnc1Oc1cccc(C(F)(F)F)c1	ZINC000004362517	361313410	/nfs/dbraw/zinc/31/34/10/361313410.db2.gz	MEGHHNUKHFHUCR-UHFFFAOYSA-N	-1	1	298.224	2.382	50	30		CEEAMM
O=C(C=C([O-])C(=O)Nc1ccccn1)c1ccccc1	ZINC000100223199	364541432	/nfs/dbraw/zinc/54/14/32/364541432.db2.gz	FADMKRMMKKMCPS-RAXLEYEMSA-N	-1	1	268.272	2.345	50	30		CEEAMM
C=C(C)C[C@H](C)C(=O)NCc1cc(=O)[n-]c(SC)n1	ZINC000585126045	367181811	/nfs/dbraw/zinc/18/18/11/367181811.db2.gz	MJWRIXMCEVZDBN-VIFPVBQESA-N	-1	1	281.381	2.123	50	30		CEEAMM
Cc1ccccc1/N=C1/SC(CC(=O)[O-])C(=O)N1C	ZINC000004942617	170043056	/nfs/dbraw/zinc/04/30/56/170043056.db2.gz	GOIISWSPEYRRBG-NJERVBSYSA-N	-1	1	278.333	2.031	50	30		CEEAMM
CCN(CC#N)C(=O)c1ccc(Br)c([O-])c1	ZINC000095997774	185061112	/nfs/dbraw/zinc/06/11/12/185061112.db2.gz	NWBACCPNLFXJHN-UHFFFAOYSA-N	-1	1	283.125	2.140	50	30		CEEAMM
C=CCN(C)[C@@H](C(=O)[O-])c1cc(F)ccc1OC	ZINC000055343024	362548636	/nfs/dbraw/zinc/54/86/36/362548636.db2.gz	GBKSKSODHRARQG-GFCCVEGCSA-N	-1	1	253.273	2.078	50	30		CEEAMM
O=S(=O)([O-])CC/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000002350713	361233475	/nfs/dbraw/zinc/23/34/75/361233475.db2.gz	JFOHITLPTXLFKK-LFYBBSHMSA-N	-1	1	298.147	2.006	50	30		CEEAMM
C=CCOc1ccc(Cl)cc1/C=C1/NC(=S)[N-]C1=O	ZINC000020010829	361572893	/nfs/dbraw/zinc/57/28/93/361572893.db2.gz	JGTNWRDCCQGKMY-JXMROGBWSA-N	-1	1	294.763	2.250	50	30		CEEAMM
CCCCCCCC(=O)C1=C([O-])C[C@@H](C)OC1=O	ZINC000100354049	624643168	/nfs/dbraw/zinc/64/31/68/624643168.db2.gz	GRYMMVOHUKXQFH-ZWNOBZJWSA-N	-1	1	254.326	2.437	50	30		CEEAMM
COc1ccc(-c2n[n-]c(=S)n2NCCC#N)cc1	ZINC000039932803	361990065	/nfs/dbraw/zinc/99/00/65/361990065.db2.gz	BYLXLBVNIXYQLU-UHFFFAOYSA-N	-1	1	275.337	2.073	50	30		CEEAMM
CCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000003582069	361285213	/nfs/dbraw/zinc/28/52/13/361285213.db2.gz	OUZTXUIDWWGOQM-ROJDOSBLSA-N	-1	1	284.311	2.477	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2c(F)cccc2F)c(=O)o1	ZINC000023624929	361601961	/nfs/dbraw/zinc/60/19/61/361601961.db2.gz	JFJNWFQSXLCLTQ-VBROQKIQSA-N	-1	1	292.237	2.193	50	30		CEEAMM
Cc1cc(=O)[n-]c(SCCOc2ccccc2C#N)n1	ZINC000008753010	170354219	/nfs/dbraw/zinc/35/42/19/170354219.db2.gz	VYQRJWIOGNLVQW-UHFFFAOYSA-N	-1	1	287.344	2.121	50	30		CEEAMM
Cc1[nH][n-]c(=O)c1N=Nc1ccc(Cl)cc1Cl	ZINC000005490277	343354871	/nfs/dbraw/zinc/35/48/71/343354871.db2.gz	IFIHTFJWMFPAGE-UHFFFAOYSA-N	-1	1	271.107	2.267	50	30		CEEAMM
N#C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1	ZINC000221453408	370241630	/nfs/dbraw/zinc/24/16/30/370241630.db2.gz	WOVWJGWKBFWZAC-NSHDSACASA-N	-1	1	278.739	2.350	50	30		CEEAMM
CCCCCCC(C)=NN=C1NC(=O)C(CC(=O)[O-])S1	ZINC000252628974	371460918	/nfs/dbraw/zinc/46/09/18/371460918.db2.gz	TVXRWNAUYRRHFW-SNVBAGLBSA-N	-1	1	299.396	2.395	50	30		CEEAMM
C=CCSc1nnc([N-]C(=O)c2snnc2C)s1	ZINC000011913959	400105272	/nfs/dbraw/zinc/10/52/72/400105272.db2.gz	ZUZSVIBUCRMPDK-UHFFFAOYSA-N	-1	1	299.406	2.228	50	30		CEEAMM
O=c1[nH]c2ncccc2nc1C=C([O-])c1ccc(F)cc1	ZINC000005728947	170134010	/nfs/dbraw/zinc/13/40/10/170134010.db2.gz	KGSXFJVLELFBJJ-XYOKQWHBSA-N	-1	1	283.262	2.352	50	30		CEEAMM
N#CCSc1nnc(NN=Cc2ccccc2F)[n-]1	ZINC000020608376	171267516	/nfs/dbraw/zinc/26/75/16/171267516.db2.gz	ZMBZUOTXKIPRDC-VGOFMYFVSA-N	-1	1	276.300	2.005	50	30		CEEAMM
Cc1csc(C(C#N)=C([O-])c2ccnc(N(C)C)c2)n1	ZINC000122663536	365631034	/nfs/dbraw/zinc/63/10/34/365631034.db2.gz	OCIPJKSMUSNGQS-LLVKDONJSA-N	-1	1	286.360	2.403	50	30		CEEAMM
CCC1CCC(=N/N=C2/NC(=O)C(CC(=O)[O-])S2)CC1	ZINC000004616218	361323922	/nfs/dbraw/zinc/32/39/22/361323922.db2.gz	XWHHCWIAASAVHJ-LHIURRSHSA-N	-1	1	297.380	2.005	50	30		CEEAMM
CCCCS(=O)(=O)[N-]C(=O)Nc1ccccc1OC	ZINC000071771223	394588831	/nfs/dbraw/zinc/58/88/31/394588831.db2.gz	WLBKAVBAPZAINT-UHFFFAOYSA-N	-1	1	286.353	2.151	50	30		CEEAMM
CCCCS(=O)(=O)N=C([O-])Nc1ccccc1OC	ZINC000071771223	394588834	/nfs/dbraw/zinc/58/88/34/394588834.db2.gz	WLBKAVBAPZAINT-UHFFFAOYSA-N	-1	1	286.353	2.151	50	30		CEEAMM
C=CCOc1ccc(C=Nn2cn[n-]c2=S)cc1OC	ZINC000005543936	170111263	/nfs/dbraw/zinc/11/12/63/170111263.db2.gz	PYZKSHRZPRJJRH-OVCLIPMQSA-N	-1	1	290.348	2.396	50	30		CEEAMM
O=C1N/C(=N\[O-])S/C1=C/c1ccccc1Cl	ZINC000006192365	280276783	/nfs/dbraw/zinc/27/67/83/280276783.db2.gz	YJWHWYKXCOZXHY-VMPITWQZSA-N	-1	1	254.698	2.289	50	30		CEEAMM
Cc1ccsc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000105639470	186067239	/nfs/dbraw/zinc/06/72/39/186067239.db2.gz	NQMXWAOKSRLKGA-DHCBQETCSA-N	-1	1	276.313	2.285	50	30		CEEAMM
C#C[C@@](C)(CC)OC(=O)[N-]C(=O)c1ccccc1F	ZINC000002161456	361229180	/nfs/dbraw/zinc/22/91/80/361229180.db2.gz	NNOHNJJBLTXGAI-AWEZNQCLSA-N	-1	1	263.268	2.494	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccccc2C)c(=O)o1	ZINC000003543725	361283702	/nfs/dbraw/zinc/28/37/02/361283702.db2.gz	FJBIUVWIYNLXKU-KIUWMYQTSA-N	-1	1	270.284	2.223	50	30		CEEAMM
O=C([O-])C(N=Nc1ccccc1O)c1ccccc1	ZINC000003896215	361293319	/nfs/dbraw/zinc/29/33/19/361293319.db2.gz	RBMRUYVRTSHWEZ-SSZFMOIBSA-N	-1	1	256.261	2.293	50	30		CEEAMM
CC(=O)c1ccc(NC=CC(=O)C2=C([O-])CCCC2=O)cc1	ZINC000100068818	364538871	/nfs/dbraw/zinc/53/88/71/364538871.db2.gz	JNIJWDYBWAGBAR-KTKRTIGZSA-N	-1	1	299.326	2.322	50	30		CEEAMM
Cn1cc(/C=C2/CCc3cc([O-])ccc3C2=O)cn1	ZINC000096297179	256888537	/nfs/dbraw/zinc/88/85/37/256888537.db2.gz	DTFWLTDDNHFONA-SDQBBNPISA-N	-1	1	254.289	2.338	50	30		CEEAMM
Cc1occc1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000036714236	361851994	/nfs/dbraw/zinc/85/19/94/361851994.db2.gz	OPXVOAUVQLHXGZ-UHFFFAOYSA-N	-1	1	260.175	2.361	50	30		CEEAMM
Cc1cc(C)c(C#N)c(SCc2cc(=O)[nH][n-]2)n1	ZINC000000103749	361129372	/nfs/dbraw/zinc/12/93/72/361129372.db2.gz	LNOFZOWGWGOAIG-UHFFFAOYSA-N	-1	1	260.322	2.291	50	30		CEEAMM
CCc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1	ZINC000016512999	361491047	/nfs/dbraw/zinc/49/10/47/361491047.db2.gz	SHJYGWSXURLFPK-WOJGMQOQSA-N	-1	1	270.336	2.477	50	30		CEEAMM
Cc1n[n-]c([NH+]=C([O-])N2CCc3c([nH]c4ccccc43)C2)n1	ZINC000023129038	361595275	/nfs/dbraw/zinc/59/52/75/361595275.db2.gz	DCJAEUMUFCWTSI-UHFFFAOYSA-N	-1	1	296.334	2.198	50	30		CEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(F)cc2)c(=O)o1	ZINC000003326319	394454031	/nfs/dbraw/zinc/45/40/31/394454031.db2.gz	CCXVQRRMKAWQGO-BTKRWWFXSA-N	-1	1	274.247	2.054	50	30		CEEAMM
Cc1cc(=O)[n-]c(SCc2ccc(C#N)cc2)n1	ZINC000008730526	170350673	/nfs/dbraw/zinc/35/06/73/170350673.db2.gz	ABWISZBNOPKFAA-UHFFFAOYSA-N	-1	1	257.318	2.242	50	30		CEEAMM
C=CCN(C)[C@H](C(=O)[O-])c1cc(F)ccc1OC	ZINC000055343022	362548834	/nfs/dbraw/zinc/54/88/34/362548834.db2.gz	GBKSKSODHRARQG-LBPRGKRZSA-N	-1	1	253.273	2.078	50	30		CEEAMM
Cc1csc(-c2c([O-])cn(N=Cc3cccnc3)c2N)n1	ZINC000102732169	185789284	/nfs/dbraw/zinc/78/92/84/185789284.db2.gz	MTFHKRPUWVXHPL-MMTBQSCKSA-N	-1	1	299.359	2.443	50	30		CEEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(O)c1	ZINC000000897736	361194363	/nfs/dbraw/zinc/19/43/63/361194363.db2.gz	RGNXWPVNPFAADO-NSIKDUERSA-N	-1	1	270.240	2.420	50	30	biogenic,in-vivo	CEEAMM
C=C(C)Cn1c2c(c(=O)[n-]c1=S)CN(CCC)CN2	ZINC000019874654	361564679	/nfs/dbraw/zinc/56/46/79/361564679.db2.gz	RTFSTENEQBUMTL-UHFFFAOYSA-N	-1	1	280.397	2.077	50	30		CEEAMM
N#C[C@@H](NC(=O)CCc1ccc([O-])c(Cl)c1)C1CC1	ZINC000195561484	370142103	/nfs/dbraw/zinc/14/21/03/370142103.db2.gz	IFJZDRHFVBCBJB-GFCCVEGCSA-N	-1	1	278.739	2.397	50	30		CEEAMM
C=CCn1c(CNC(=O)c2ccccc2F)n[n-]c1=S	ZINC000005817009	170142793	/nfs/dbraw/zinc/14/27/93/170142793.db2.gz	OQQJAWPWNUQFHW-UHFFFAOYSA-N	-1	1	292.339	2.196	50	30		CEEAMM
N#C[C@H](NC(=O)CCc1ccc([O-])c(Cl)c1)C1CC1	ZINC000195561485	370141864	/nfs/dbraw/zinc/14/18/64/370141864.db2.gz	IFJZDRHFVBCBJB-LBPRGKRZSA-N	-1	1	278.739	2.397	50	30		CEEAMM
COc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000006315741	170190688	/nfs/dbraw/zinc/19/06/88/170190688.db2.gz	SLQOFPYEXXDIHM-UHFFFAOYSA-N	-1	1	288.328	2.368	50	30		CEEAMM
Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccn1	ZINC000078470615	177344033	/nfs/dbraw/zinc/34/40/33/177344033.db2.gz	IVFXUZSYAGOWFI-UHFFFAOYSA-N	-1	1	273.317	2.063	50	30		CEEAMM
CC(=NNc1nnc(SCC#N)[n-]1)c1ccc(F)cc1	ZINC000253476483	334434752	/nfs/dbraw/zinc/43/47/52/334434752.db2.gz	UIDKHBASVSHXGD-UHFFFAOYSA-N	-1	1	290.327	2.396	50	30		CEEAMM
CC1(C)CC(=O)C(C(=O)C=Cc2ccco2)=C([O-])C1	ZINC000100551775	364547733	/nfs/dbraw/zinc/54/77/33/364547733.db2.gz	HAMRLFXHVTXOIB-AATRIKPKSA-N	-1	1	260.289	2.436	50	30		CEEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000000151695	394448478	/nfs/dbraw/zinc/44/84/78/394448478.db2.gz	DARWVGMHBLSVGJ-UHFFFAOYSA-N	-1	1	276.292	2.498	50	30		CEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1	ZINC000006210553	170183033	/nfs/dbraw/zinc/18/30/33/170183033.db2.gz	WKZSPSONGDXERN-UHFFFAOYSA-N	-1	1	298.327	2.235	50	30		CEEAMM