smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NC(=O)[C@@H](N=Nc2ccccc2C(=O)[O-])N1c1ccccc1	ZINC000017414064	190643692	/nfs/dbraw/zinc/64/36/92/190643692.db2.gz	HJTDGVIUYDRAOX-CVTQAYBASA-N	-1	0	322.324	3.260	40	10		DGCBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2ccccc2)S1	ZINC000035042423	1193915758	/nfs/dbraw/zinc/91/57/58/1193915758.db2.gz	CXLFNMIXRJRHKM-GXDHUFHOSA-N	-1	0	324.361	3.467	40	10		DGCBRM
COc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)c(C)cc1N	ZINC000004523138	181119855	/nfs/dbraw/zinc/11/98/55/181119855.db2.gz	RFHAPRIQUZZKDJ-WUKNDPDISA-N	-1	0	321.358	3.248	40	10		DGCBRM
CCOC(=O)[C@@H]1Nc2c(Cl)cc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000006844106	431320993	/nfs/dbraw/zinc/32/09/93/431320993.db2.gz	PBEKNIKLVQVKHN-IMSIIYSGSA-N	-1	0	321.760	3.055	40	10		DGCBRM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1cccs1	ZINC000100147570	281700247	/nfs/dbraw/zinc/70/02/47/281700247.db2.gz	PUKRTSOVAYQRPV-NTEUORMPSA-N	-1	0	312.350	3.252	40	10		DGCBRM
Cc1c(NN=C2C(=O)C=CC=C2[O-])c(=O)n(-c2ccccc2)n1C	ZINC000110341790	1177258472	/nfs/dbraw/zinc/25/84/72/1177258472.db2.gz	ONCGXBWUNVGJHY-VHEBQXMUSA-N	-1	0	324.340	3.311	40	10		DGCBRM
CC(C)COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2	ZINC000004139590	278920093	/nfs/dbraw/zinc/92/00/93/278920093.db2.gz	OGONIROXPIPVDK-HEHGZKQESA-N	-1	0	315.369	3.038	40	10		DGCBRM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1cccc(F)c1	ZINC000100469087	431981917	/nfs/dbraw/zinc/98/19/17/431981917.db2.gz	MNLAVOFOWPWZFF-MHWRWJLKSA-N	-1	0	324.311	3.330	40	10		DGCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000105847330	400324247	/nfs/dbraw/zinc/32/42/47/400324247.db2.gz	WTJVGFIPUJBCKI-XNTDXEJSSA-N	-1	0	323.308	3.107	40	10		DGCBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1cccc(O)c1	ZINC000000440987	275016533	/nfs/dbraw/zinc/01/65/33/275016533.db2.gz	JREHYCXDGVXZBZ-GXDHUFHOSA-N	-1	0	324.361	3.064	40	10		DGCBRM
CC(=Nc1cccnc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000101842039	431989368	/nfs/dbraw/zinc/98/93/68/431989368.db2.gz	FMAAVQBJSRLBPC-LFIBNONCSA-N	-1	0	310.332	3.329	40	10		DGCBRM
Cc1cc(/N=N\c2cccc(S(=O)(=O)[O-])c2C)c(N)cc1N	ZINC000017302770	301037418	/nfs/dbraw/zinc/03/74/18/301037418.db2.gz	BTZONWCVRIACFT-ZCXUNETKSA-N	-1	0	320.374	3.130	40	10		DGCBRM
Cc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)s1	ZINC000005747383	181280415	/nfs/dbraw/zinc/28/04/15/181280415.db2.gz	IPYQERJDPXXWGU-JYRVWZFOSA-N	-1	0	318.785	3.171	40	10		DGCBRM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(C(C)C)cc1	ZINC000032189109	182637256	/nfs/dbraw/zinc/63/72/56/182637256.db2.gz	DIKCBTRUNPSVLF-YVLHZVERSA-N	-1	0	323.396	3.398	40	10		DGCBRM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2C)SC1=S	ZINC000008325782	431394044	/nfs/dbraw/zinc/39/40/44/431394044.db2.gz	LWOCLZPLNOKPDH-SERMCNLOSA-N	-1	0	321.423	3.059	40	10		DGCBRM
Cc1cccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1	ZINC000032707998	431788678	/nfs/dbraw/zinc/78/86/78/431788678.db2.gz	HPVZWVXLAUKQBS-FMIVXFBMSA-N	-1	0	321.423	3.061	40	10		DGCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1C(=O)[O-]	ZINC000059485196	431998835	/nfs/dbraw/zinc/99/88/35/431998835.db2.gz	KNQJCGZWUVXKBW-WJDWOHSUSA-N	-1	0	306.321	3.191	40	10		DGCBRM
CCc1cccc2c(C=C3C(=O)[N-]C(=O)N(CC)C3=O)c[nH]c21	ZINC000008087985	431379688	/nfs/dbraw/zinc/37/96/88/431379688.db2.gz	IAFNHEKKUYSXPY-MDWZMJQESA-N	-1	0	311.341	3.052	40	10		DGCBRM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2C)SC1=S	ZINC000004745704	286746865	/nfs/dbraw/zinc/74/68/65/286746865.db2.gz	LWOCLZPLNOKPDH-LCFDYFRESA-N	-1	0	321.423	3.059	40	10		DGCBRM
Cc1nn(C)c(C)c1N=Cc1c(C)[n-]n(-c2cccc(C)c2)c1=O	ZINC000408757741	434592562	/nfs/dbraw/zinc/59/25/62/434592562.db2.gz	QCYFIMOEFXHSCS-MHWRWJLKSA-N	-1	0	323.400	3.064	40	10		DGCBRM
CCOC(=O)[C@H]1Nc2c(Cl)ccc(C(=O)[O-])c2[C@@H]2C=CC[C@@H]21	ZINC000043769633	431870433	/nfs/dbraw/zinc/87/04/33/431870433.db2.gz	DXRRYTCUQOXXIL-ZDMBXUJBSA-N	-1	0	321.760	3.055	40	10		DGCBRM
COc1cc(/N=N\c2ccc(S(=O)(=O)[O-])cc2)c(C)cc1N	ZINC000017303046	294920386	/nfs/dbraw/zinc/92/03/86/294920386.db2.gz	RFHAPRIQUZZKDJ-MSUUIHNZSA-N	-1	0	321.358	3.248	40	10		DGCBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\C=C\c1ccccc1	ZINC000006222588	181320861	/nfs/dbraw/zinc/32/08/61/181320861.db2.gz	OFAKCWHPAYFKDB-QSJINSDNSA-N	-1	0	324.767	3.358	40	10		DGCBRM
CC(C)COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000000074897	278920070	/nfs/dbraw/zinc/92/00/70/278920070.db2.gz	OGONIROXPIPVDK-ZENOOKHLSA-N	-1	0	315.369	3.038	40	10		DGCBRM
COC(=O)c1cccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)c1	ZINC000070462690	431252056	/nfs/dbraw/zinc/25/20/56/431252056.db2.gz	LNISFLVHFMYJLO-WUKNDPDISA-N	-1	0	300.270	3.292	40	10		DGCBRM
Nc1c(Cl)c(Cl)c([O-])c2c1C(=O)c1ccccc1C2=O	ZINC000005555422	431311784	/nfs/dbraw/zinc/31/17/84/431311784.db2.gz	VUIGYAUPYUWXLR-UHFFFAOYSA-N	-1	0	308.120	3.057	40	10		DGCBRM
Cc1ccc(C2=NN[C@H](c3cc([N+](=O)[O-])ccc3[O-])S2)cc1	ZINC000035189295	431826781	/nfs/dbraw/zinc/82/67/81/431826781.db2.gz	SKFMBVBJQDLJBF-HNNXBMFYSA-N	-1	0	315.354	3.306	40	10		DGCBRM
CC1=CSC2=NC(=O)/C(=C\c3ccc([O-])c(Cl)c3)C(=N)N12	ZINC000102446422	431994646	/nfs/dbraw/zinc/99/46/46/431994646.db2.gz	VUICEGLAVHJAIA-ZTNZKHEOSA-N	-1	0	319.773	3.213	40	10		DGCBRM
Cc1ccc(/N=N/c2cc(C)c(N)cc2N)c(S(=O)(=O)[O-])c1	ZINC000004523140	181119745	/nfs/dbraw/zinc/11/97/45/181119745.db2.gz	OPHXJNWESLHVBH-ISLYRVAYSA-N	-1	0	320.374	3.130	40	10		DGCBRM
COC1=CC(=NNc2ccccc2C(=O)[O-])C=C(C=O)C1=O	ZINC000070462728	431251350	/nfs/dbraw/zinc/25/13/50/431251350.db2.gz	GEDFONNVQGGQRB-WUKNDPDISA-N	-1	0	300.270	3.327	40	10		DGCBRM
CC1=NC(=O)[C@H](N=Nc2ccccc2C(=O)[O-])N1c1ccccc1	ZINC000017414068	431615090	/nfs/dbraw/zinc/61/50/90/431615090.db2.gz	HJTDGVIUYDRAOX-FZFLATATSA-N	-1	0	322.324	3.260	40	10		DGCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc[nH]1	ZINC000033899319	304655516	/nfs/dbraw/zinc/65/55/16/304655516.db2.gz	QTWBGFYFRUTUNQ-XYOKQWHBSA-N	-1	0	315.716	3.175	40	10		DGCBRM
Cc1cc(C)n2nc(N)c(/N=N/c3ccc(C(=O)[O-])cc3)c2n1	ZINC000005541353	257231556	/nfs/dbraw/zinc/23/15/56/257231556.db2.gz	JZNBUCDKGYVJAN-VHEBQXMUSA-N	-1	0	310.317	3.042	40	10		DGCBRM
COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(C)cc1N	ZINC000256160898	532963577	/nfs/dbraw/zinc/96/35/77/532963577.db2.gz	RFHAPRIQUZZKDJ-UHFFFAOYSA-N	-1	0	321.358	3.248	40	10		DGCBRM
CCOC(=O)[C@@H]1Nc2c(Cl)cc(C(=O)[O-])cc2[C@@H]2C=CC[C@@H]21	ZINC000006463745	431316060	/nfs/dbraw/zinc/31/60/60/431316060.db2.gz	PBEKNIKLVQVKHN-ISTVAULSSA-N	-1	0	321.760	3.055	40	10		DGCBRM
O=C([O-])c1cc2cc(O)c(O)cc2c(-c2ccc(O)c(O)c2)c1	ZINC000003646169	181043529	/nfs/dbraw/zinc/04/35/29/181043529.db2.gz	ZSKDVJYWOHBGNI-UHFFFAOYSA-N	-1	0	312.277	3.027	40	10	biogenic,in-vitro	DGCBRM
O=C1C(=C([O-])c2ccccc2)SC(=S)N1c1ccccc1	ZINC000003843300	181048650	/nfs/dbraw/zinc/04/86/50/181048650.db2.gz	GWFLQAMVJPUPNO-CQSZACIVSA-N	-1	0	313.403	3.303	40	10		DGCBRM
COC(=O)c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000070462704	431253153	/nfs/dbraw/zinc/25/31/53/431253153.db2.gz	XKDVVQJRMGATFR-WUKNDPDISA-N	-1	0	300.270	3.292	40	10		DGCBRM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2C)SC1=S	ZINC000027530420	431689442	/nfs/dbraw/zinc/68/94/42/431689442.db2.gz	LWOCLZPLNOKPDH-OYGDSYQHSA-N	-1	0	321.423	3.059	40	10		DGCBRM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1c(C)cc(C)cc1C	ZINC000000475990	291631394	/nfs/dbraw/zinc/63/13/94/291631394.db2.gz	KRIZXBAQWIVUNA-SXGWCWSVSA-N	-1	0	323.396	3.200	40	10		DGCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CC=Cc1ccccc1	ZINC000000451621	275021392	/nfs/dbraw/zinc/02/13/92/275021392.db2.gz	OLQILXDIRKPXFU-JBZDNPHWSA-N	-1	0	322.320	3.338	40	10		DGCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000408966317	434595183	/nfs/dbraw/zinc/59/51/83/434595183.db2.gz	ZOLHZDSGDCBQLS-UVTDQMKNSA-N	-1	0	323.308	3.107	40	10		DGCBRM
O=C([O-])C/C=C/c1ccc(N(CCCl)CCCl)cc1	ZINC000005161807	1193192533	/nfs/dbraw/zinc/19/25/33/1193192533.db2.gz	PXOQTPQOIMSYSF-OWOJBTEDSA-N	-1	0	302.201	3.459	40	10		DGCBRM
O=C1[N-]C(=O)C(=Cc2ccc(SC3CCCCC3)o2)C(=O)N1	ZINC000005025749	181192221	/nfs/dbraw/zinc/19/22/21/181192221.db2.gz	FWKDJZICUNRHMG-UHFFFAOYSA-N	-1	0	320.370	3.294	40	10		DGCBRM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(C)c2)SC1=S	ZINC000008325779	286746750	/nfs/dbraw/zinc/74/67/50/286746750.db2.gz	NZNCPQMVKMWZBQ-SERMCNLOSA-N	-1	0	321.423	3.059	40	10		DGCBRM
COC(=O)c1ccccc1NN=C1C=CC(=O)C(C(=O)[O-])=C1	ZINC000070462703	431251951	/nfs/dbraw/zinc/25/19/51/431251951.db2.gz	HHZUILXFCBMWFQ-WUKNDPDISA-N	-1	0	300.270	3.292	40	10		DGCBRM
CC(C)COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000011847604	431485071	/nfs/dbraw/zinc/48/50/71/431485071.db2.gz	OGONIROXPIPVDK-XEZPLFJOSA-N	-1	0	315.369	3.038	40	10		DGCBRM
CC(C)(C)N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000005371679	278340213	/nfs/dbraw/zinc/34/02/13/278340213.db2.gz	ZXDPOWIXCVBSBB-FLIBITNWSA-N	-1	0	321.423	3.385	40	10		DGCBRM
Cc1ccccc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000027530418	431689045	/nfs/dbraw/zinc/68/90/45/431689045.db2.gz	MBJMAXNUMDAXBN-FMIVXFBMSA-N	-1	0	321.423	3.061	40	10		DGCBRM
Cc1ccc(C2=NN[C@@H](c3cc([N+](=O)[O-])ccc3[O-])S2)cc1	ZINC000035189296	301570122	/nfs/dbraw/zinc/57/01/22/301570122.db2.gz	SKFMBVBJQDLJBF-OAHLLOKOSA-N	-1	0	315.354	3.306	40	10		DGCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\C=C/c1ccccc1	ZINC000016450981	296356762	/nfs/dbraw/zinc/35/67/62/296356762.db2.gz	VJGITCDMOMKAQD-XCRWTIQCSA-N	-1	0	324.380	3.037	40	10		DGCBRM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2C)SC1=S	ZINC000004745708	431300558	/nfs/dbraw/zinc/30/05/58/431300558.db2.gz	LWOCLZPLNOKPDH-HQQGHWSLSA-N	-1	0	321.423	3.059	40	10		DGCBRM
CCc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=O)[N-]C2=O)c1C	ZINC000408959866	434595648	/nfs/dbraw/zinc/59/56/48/434595648.db2.gz	HECPPQSBROQYFW-MHWRWJLKSA-N	-1	0	323.396	3.145	40	10		DGCBRM
CC(C)COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000004139592	181077768	/nfs/dbraw/zinc/07/77/68/181077768.db2.gz	OGONIROXPIPVDK-WOSRLPQWSA-N	-1	0	315.369	3.038	40	10		DGCBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccccc1	ZINC000033315116	431811628	/nfs/dbraw/zinc/81/16/28/431811628.db2.gz	XRWVWCACQNEXHT-KAMYIIQDSA-N	-1	0	308.362	3.358	40	10		DGCBRM
Cc1cc(N2CCCC2)c(F)cc1C=C1SC(=S)NC1=O	ZINC000006626225	400093592	/nfs/dbraw/zinc/09/35/92/400093592.db2.gz	CCTGGHABZCUNOW-MDWZMJQESA-N	-1	0	322.430	3.223	40	10		DGCBRM
O=c1cc2oc3cc([O-])c(O)cc3c(-c3ccccn3)c-2cc1O	ZINC000004535906	181120742	/nfs/dbraw/zinc/12/07/42/181120742.db2.gz	BGYWPLZPYQNKRZ-UHFFFAOYSA-N	-1	0	321.288	3.077	40	10		DGCBRM
COc1ccc(-c2ccc(CC(=O)[O-])n2-c2ccc(O)cc2)cc1	ZINC000006625011	181362472	/nfs/dbraw/zinc/36/24/72/181362472.db2.gz	YEMCTGACVQMWCL-UHFFFAOYSA-N	-1	0	323.348	3.486	40	10		DGCBRM
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(C(=O)[O-])c1	ZINC000100927416	431983171	/nfs/dbraw/zinc/98/31/71/431983171.db2.gz	MZGUOJVYIFDSCY-WJDWOHSUSA-N	-1	0	321.336	3.103	40	10		DGCBRM
Cc1cc(/N=N/c2cccc(S(=O)(=O)[O-])c2C)c(N)cc1N	ZINC000004523120	301037528	/nfs/dbraw/zinc/03/75/28/301037528.db2.gz	BTZONWCVRIACFT-ISLYRVAYSA-N	-1	0	320.374	3.130	40	10		DGCBRM
COc1cc(/N=N/c2ccccc2)ccc1NCS(=O)(=O)[O-]	ZINC000004822129	181157150	/nfs/dbraw/zinc/15/71/50/181157150.db2.gz	DSGHGYUDWBBPRC-WUKNDPDISA-N	-1	0	321.358	3.368	40	10		DGCBRM
O=C1NC(=S)SC1=CNc1ccc(Cl)c(Cl)c1	ZINC000584906287	400124308	/nfs/dbraw/zinc/12/43/08/400124308.db2.gz	RQJZHYDQWCTSJS-YWEYNIOJSA-N	-1	0	305.211	3.395	40	10		DGCBRM
COC1=CC(=NNc2ccc(C(=O)[O-])cc2)C=C(C=O)C1=O	ZINC000070462735	431251313	/nfs/dbraw/zinc/25/13/13/431251313.db2.gz	QZNOZANQIVUESR-WUKNDPDISA-N	-1	0	300.270	3.327	40	10		DGCBRM
O=C1C(=C([O-])c2ccccc2)SC(=S)N1c1ccccc1	ZINC000003843301	181048591	/nfs/dbraw/zinc/04/85/91/181048591.db2.gz	GWFLQAMVJPUPNO-AWEZNQCLSA-N	-1	0	313.403	3.303	40	10		DGCBRM
Cc1ccc(/N=N\c2cc(C)c(N)cc2N)c(S(=O)(=O)[O-])c1	ZINC000017303048	182082295	/nfs/dbraw/zinc/08/22/95/182082295.db2.gz	OPHXJNWESLHVBH-ZCXUNETKSA-N	-1	0	320.374	3.130	40	10		DGCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000059485194	184139151	/nfs/dbraw/zinc/13/91/51/184139151.db2.gz	GQUCKBVYFBHTBT-ZROIWOOFSA-N	-1	0	323.308	3.107	40	10		DGCBRM
COC(=O)c1sc2c(cnc3c(OC)cc(C)cc23)c1[O-]	ZINC000064874671	257128045	/nfs/dbraw/zinc/12/80/45/257128045.db2.gz	ILHRONGIFRZAJC-UHFFFAOYSA-N	-1	0	303.339	3.259	40	10		DGCBRM
CC(C)(C)N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000035040224	1193916038	/nfs/dbraw/zinc/91/60/38/1193916038.db2.gz	ZXDPOWIXCVBSBB-DHZHZOJOSA-N	-1	0	321.423	3.385	40	10		DGCBRM
CC(=C1SC(=S)N=C1[O-])c1ccc(Br)cc1	ZINC000003023764	277729070	/nfs/dbraw/zinc/72/90/70/277729070.db2.gz	OBRPCNBOXUKRNG-RMKNXTFCSA-N	-1	0	314.229	3.328	40	10		DGCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000100147843	431981151	/nfs/dbraw/zinc/98/11/51/431981151.db2.gz	GQUCKBVYFBHTBT-NTEUORMPSA-N	-1	0	323.308	3.107	40	10		DGCBRM
Nc1c(C(=O)[O-])sc2nc3c(c(C(F)(F)F)c12)CCCC3	ZINC000004228008	431295432	/nfs/dbraw/zinc/29/54/32/431295432.db2.gz	KRBXRFQTAAZKNU-UHFFFAOYSA-N	-1	0	316.304	3.474	40	10		DGCBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2ccccc2)S1	ZINC000005372473	181234872	/nfs/dbraw/zinc/23/48/72/181234872.db2.gz	CXLFNMIXRJRHKM-UVTDQMKNSA-N	-1	0	324.361	3.467	40	10		DGCBRM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(C)c2)SC1=S	ZINC000027530422	431688032	/nfs/dbraw/zinc/68/80/32/431688032.db2.gz	NZNCPQMVKMWZBQ-OYGDSYQHSA-N	-1	0	321.423	3.059	40	10		DGCBRM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccccc1F	ZINC000100469083	281699865	/nfs/dbraw/zinc/69/98/65/281699865.db2.gz	DOOQNBRXBJRSBA-XNTDXEJSSA-N	-1	0	324.311	3.330	40	10		DGCBRM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(F)cc1	ZINC000016160912	281700378	/nfs/dbraw/zinc/70/03/78/281700378.db2.gz	SMWDLGHUNLSHGG-YBEGLDIGSA-N	-1	0	324.311	3.330	40	10		DGCBRM