smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000790626826	939151905	/nfs/dbraw/zinc/15/19/05/939151905.db2.gz	CFIMRYCWTPAHSZ-INIZCTEOSA-N	-1	0	449.869	1.991	20	5		IDBDRM
Cc1cc(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000790628430	939153902	/nfs/dbraw/zinc/15/39/02/939153902.db2.gz	XNOQZZUKTHKZML-QGZVFWFLSA-N	-1	0	447.441	1.785	20	5		IDBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628689	939154354	/nfs/dbraw/zinc/15/43/54/939154354.db2.gz	DOPWFCRCTMYAOY-KRWDZBQOSA-N	-1	0	445.450	1.346	20	5		IDBDRM
Cc1sc(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000790629447	939155114	/nfs/dbraw/zinc/15/51/14/939155114.db2.gz	MOVVXQWCUFYHKU-HNNXBMFYSA-N	-1	0	435.480	1.707	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1	ZINC000571978781	939395610	/nfs/dbraw/zinc/39/56/10/939395610.db2.gz	IPJYOJGDXLQARS-PELKAZGASA-N	-1	0	434.186	1.809	20	5		IDBDRM
COc1ccc([C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1	ZINC000584131033	939795637	/nfs/dbraw/zinc/79/56/37/939795637.db2.gz	CAFCHYNMRRNUBK-KRWDZBQOSA-N	-1	0	437.430	1.214	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)[C@@H]1CCCOC1	ZINC000762236755	939072383	/nfs/dbraw/zinc/07/23/83/939072383.db2.gz	DRHFMDVQKUSOKY-PELKAZGASA-N	-1	0	434.186	1.809	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000780468269	939125449	/nfs/dbraw/zinc/12/54/49/939125449.db2.gz	KLPBKXPNYYLGFM-OAHLLOKOSA-N	-1	0	428.467	1.206	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)c1C	ZINC000790628398	939153879	/nfs/dbraw/zinc/15/38/79/939153879.db2.gz	WWHXSYIJVITSFY-GOSISDBHSA-N	-1	0	443.478	1.954	20	5		IDBDRM
Cc1ccc(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000790628833	939154176	/nfs/dbraw/zinc/15/41/76/939154176.db2.gz	FWNCITJPNGXXFW-QGZVFWFLSA-N	-1	0	429.451	1.646	20	5		IDBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1C	ZINC000790630530	939155712	/nfs/dbraw/zinc/15/57/12/939155712.db2.gz	TWONDKSDDASYKO-SFHVURJKSA-N	-1	0	443.478	1.954	20	5		IDBDRM
Cc1cc(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000790630612	939155762	/nfs/dbraw/zinc/15/57/62/939155762.db2.gz	UJHZOPZAQSLIDH-KRWDZBQOSA-N	-1	0	429.451	1.646	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000790631031	939156253	/nfs/dbraw/zinc/15/62/53/939156253.db2.gz	YFLHDIXFLYSEEW-MRXNPFEDSA-N	-1	0	449.869	1.991	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCCC2)CC1	ZINC000482167431	939217542	/nfs/dbraw/zinc/21/75/42/939217542.db2.gz	HQAOUDBHDINRSK-UHFFFAOYSA-N	-1	0	439.490	1.818	20	5		IDBDRM
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1(C(=O)[O-])Cc2ccccc2C1	ZINC000531998967	939260079	/nfs/dbraw/zinc/26/00/79/939260079.db2.gz	HVNXNBVQYVMKQS-UHFFFAOYSA-N	-1	0	433.442	1.002	20	5		IDBDRM
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000610846278	939807980	/nfs/dbraw/zinc/80/79/80/939807980.db2.gz	YRLZVLNGHUXHAA-LJQANCHMSA-N	-1	0	433.442	1.306	20	5		IDBDRM
O=C([O-])[C@@]1(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCOC1	ZINC000761919152	939070065	/nfs/dbraw/zinc/07/00/65/939070065.db2.gz	DFDTVCICPDXGOD-GOSISDBHSA-N	-1	0	436.398	1.336	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1	ZINC000426701007	939143953	/nfs/dbraw/zinc/14/39/53/939143953.db2.gz	WZWZFAYZZMZUGK-QAPCUYQASA-N	-1	0	447.469	1.938	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1	ZINC000428028993	939146804	/nfs/dbraw/zinc/14/68/04/939146804.db2.gz	WZWZFAYZZMZUGK-MAUKXSAKSA-N	-1	0	447.469	1.938	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000790626828	939151950	/nfs/dbraw/zinc/15/19/50/939151950.db2.gz	CFIMRYCWTPAHSZ-MRXNPFEDSA-N	-1	0	449.869	1.991	20	5		IDBDRM
Cc1cc(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc([N+](=O)[O-])c1C	ZINC000790628111	939153480	/nfs/dbraw/zinc/15/34/80/939153480.db2.gz	ONYIARUOZSUAIV-GOSISDBHSA-N	-1	0	443.478	1.954	20	5		IDBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)c1C	ZINC000790628434	939153834	/nfs/dbraw/zinc/15/38/34/939153834.db2.gz	XTWWZUFWZICEDF-GOSISDBHSA-N	-1	0	443.478	1.954	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1	ZINC000790628610	939154274	/nfs/dbraw/zinc/15/42/74/939154274.db2.gz	BTOSPTWOGQKTFC-SFHVURJKSA-N	-1	0	443.478	1.521	20	5		IDBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628690	939154388	/nfs/dbraw/zinc/15/43/88/939154388.db2.gz	DOPWFCRCTMYAOY-QGZVFWFLSA-N	-1	0	445.450	1.346	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000790630992	939156113	/nfs/dbraw/zinc/15/61/13/939156113.db2.gz	WOAFESFTCMKVBJ-INIZCTEOSA-N	-1	0	433.414	1.476	20	5		IDBDRM
CC[C@](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1	ZINC000485380661	939228772	/nfs/dbraw/zinc/22/87/72/939228772.db2.gz	ISMRPFMGIVVUBY-LJQANCHMSA-N	-1	0	435.458	1.770	20	5		IDBDRM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc2)cc1[N+](=O)[O-]	ZINC000540712852	939295392	/nfs/dbraw/zinc/29/53/92/939295392.db2.gz	CGSOVYYEZXXXPC-LJQANCHMSA-N	-1	0	449.441	1.678	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)[C@@H]1CCCOC1	ZINC000762236756	939072346	/nfs/dbraw/zinc/07/23/46/939072346.db2.gz	DRHFMDVQKUSOKY-PRHODGIISA-N	-1	0	434.186	1.809	20	5		IDBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628388	939153743	/nfs/dbraw/zinc/15/37/43/939153743.db2.gz	WBQYPUMUHTUZFZ-KRWDZBQOSA-N	-1	0	429.451	1.646	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1	ZINC000790628606	939154272	/nfs/dbraw/zinc/15/42/72/939154272.db2.gz	BTOSPTWOGQKTFC-GOSISDBHSA-N	-1	0	443.478	1.521	20	5		IDBDRM
Cc1sc(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000790629448	939155101	/nfs/dbraw/zinc/15/51/01/939155101.db2.gz	MOVVXQWCUFYHKU-OAHLLOKOSA-N	-1	0	435.480	1.707	20	5		IDBDRM
CCO[C@H]1C[C@@](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000439707732	939193819	/nfs/dbraw/zinc/19/38/19/939193819.db2.gz	RCGFBFJTBIYYGW-KPZWWZAWSA-N	-1	0	427.841	1.753	20	5		IDBDRM
CCO[C@@H]1C[C@@](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000439707734	939193857	/nfs/dbraw/zinc/19/38/57/939193857.db2.gz	RCGFBFJTBIYYGW-KZULUSFZSA-N	-1	0	427.841	1.753	20	5		IDBDRM
CCO[C@@H]1C[C@@](NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)(C(=O)[O-])C1(C)C	ZINC000439722240	939202165	/nfs/dbraw/zinc/20/21/65/939202165.db2.gz	VUGAMKXTMWCVFY-IIBYNOLFSA-N	-1	0	444.444	1.837	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F	ZINC000766954004	939077308	/nfs/dbraw/zinc/07/73/08/939077308.db2.gz	MLUQUQJEURDWMA-INIZCTEOSA-N	-1	0	443.384	1.484	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000780476721	939126722	/nfs/dbraw/zinc/12/67/22/939126722.db2.gz	LZWYYDQKVWLTAT-HNNXBMFYSA-N	-1	0	428.467	1.206	20	5		IDBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000426692572	939142693	/nfs/dbraw/zinc/14/26/93/939142693.db2.gz	TYPGWGBZKJQVOU-IBGZPJMESA-N	-1	0	426.429	1.819	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1	ZINC000426701008	939144133	/nfs/dbraw/zinc/14/41/33/939144133.db2.gz	WZWZFAYZZMZUGK-YJBOKZPZSA-N	-1	0	447.469	1.938	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000790627697	939152799	/nfs/dbraw/zinc/15/27/99/939152799.db2.gz	LPHJFMIIQDSQGU-QGZVFWFLSA-N	-1	0	429.451	1.478	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)c1C	ZINC000790628399	939153937	/nfs/dbraw/zinc/15/39/37/939153937.db2.gz	WWHXSYIJVITSFY-SFHVURJKSA-N	-1	0	443.478	1.954	20	5		IDBDRM
CCO[C@@H]1C[C@](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(C(=O)[O-])C1(C)C	ZINC000439724107	939202479	/nfs/dbraw/zinc/20/24/79/939202479.db2.gz	YTFICNAPBUIZTA-KDOFPFPSSA-N	-1	0	443.478	1.038	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)CC1	ZINC000538503656	939275660	/nfs/dbraw/zinc/27/56/60/939275660.db2.gz	CKFHKLKEEJIZNL-LJQANCHMSA-N	-1	0	439.490	1.673	20	5		IDBDRM
O=C([O-])C1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCCC1	ZINC000556837045	939308589	/nfs/dbraw/zinc/30/85/89/939308589.db2.gz	GNVVLQBBPQTMCE-ZDUSSCGKSA-N	-1	0	425.463	1.509	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F	ZINC000611463966	939808801	/nfs/dbraw/zinc/80/88/01/939808801.db2.gz	LKXVVJPAHPPKPN-MRXNPFEDSA-N	-1	0	425.394	1.344	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F	ZINC000611463965	939808908	/nfs/dbraw/zinc/80/89/08/939808908.db2.gz	LKXVVJPAHPPKPN-INIZCTEOSA-N	-1	0	425.394	1.344	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000790627259	939152299	/nfs/dbraw/zinc/15/22/99/939152299.db2.gz	HFWGBRQBHNTHKF-INIZCTEOSA-N	-1	0	449.869	1.991	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1	ZINC000790627340	939152452	/nfs/dbraw/zinc/15/24/52/939152452.db2.gz	INXZCDJDXJZYHM-KRWDZBQOSA-N	-1	0	429.451	1.478	20	5		IDBDRM
Cc1cc(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000790628429	939153925	/nfs/dbraw/zinc/15/39/25/939153925.db2.gz	XNOQZZUKTHKZML-KRWDZBQOSA-N	-1	0	447.441	1.785	20	5		IDBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628389	939153936	/nfs/dbraw/zinc/15/39/36/939153936.db2.gz	WBQYPUMUHTUZFZ-QGZVFWFLSA-N	-1	0	429.451	1.646	20	5		IDBDRM
COc1ccc(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000790628667	939154141	/nfs/dbraw/zinc/15/41/41/939154141.db2.gz	CQFSKAAVMVKRSV-KRWDZBQOSA-N	-1	0	445.450	1.346	20	5		IDBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790629804	939155197	/nfs/dbraw/zinc/15/51/97/939155197.db2.gz	PASFBIWPSVIUAP-SFHVURJKSA-N	-1	0	443.478	1.900	20	5		IDBDRM
CCO[C@@H]1C[C@](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000439707736	939193722	/nfs/dbraw/zinc/19/37/22/939193722.db2.gz	RCGFBFJTBIYYGW-XIKOKIGWSA-N	-1	0	427.841	1.753	20	5		IDBDRM
C[C@@](NC(=O)NCCc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000568586165	939368326	/nfs/dbraw/zinc/36/83/26/939368326.db2.gz	OAIUYNRCBOUWBC-IBGZPJMESA-N	-1	0	435.458	1.840	20	5		IDBDRM
COc1ccc([C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1	ZINC000584131034	939795663	/nfs/dbraw/zinc/79/56/63/939795663.db2.gz	CAFCHYNMRRNUBK-QGZVFWFLSA-N	-1	0	437.430	1.214	20	5		IDBDRM
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000610846277	939808212	/nfs/dbraw/zinc/80/82/12/939808212.db2.gz	YRLZVLNGHUXHAA-IBGZPJMESA-N	-1	0	433.442	1.306	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000790627260	939152282	/nfs/dbraw/zinc/15/22/82/939152282.db2.gz	HFWGBRQBHNTHKF-MRXNPFEDSA-N	-1	0	449.869	1.991	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000790628041	939152881	/nfs/dbraw/zinc/15/28/81/939152881.db2.gz	MUBBKDAJERRTTO-KRWDZBQOSA-N	-1	0	429.451	1.478	20	5		IDBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628484	939153947	/nfs/dbraw/zinc/15/39/47/939153947.db2.gz	ZNSXVWNYEMUWLX-KRWDZBQOSA-N	-1	0	429.451	1.646	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000790631030	939155972	/nfs/dbraw/zinc/15/59/72/939155972.db2.gz	YFLHDIXFLYSEEW-INIZCTEOSA-N	-1	0	449.869	1.991	20	5		IDBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790631168	939156066	/nfs/dbraw/zinc/15/60/66/939156066.db2.gz	ZSJHLKDRYGMHRR-QGZVFWFLSA-N	-1	0	429.451	1.646	20	5		IDBDRM
CCC1CCC(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(C(=O)[O-])CC1	ZINC000553755406	939297369	/nfs/dbraw/zinc/29/73/69/939297369.db2.gz	LATGXPCZOJYPSC-UHFFFAOYSA-N	-1	0	427.479	1.803	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1	ZINC000571978783	939395629	/nfs/dbraw/zinc/39/56/29/939395629.db2.gz	IPJYOJGDXLQARS-QPUJVOFHSA-N	-1	0	434.186	1.809	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000790627696	939152748	/nfs/dbraw/zinc/15/27/48/939152748.db2.gz	LPHJFMIIQDSQGU-KRWDZBQOSA-N	-1	0	429.451	1.478	20	5		IDBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628694	939154362	/nfs/dbraw/zinc/15/43/62/939154362.db2.gz	DSQCEMGZBYCPJG-SFHVURJKSA-N	-1	0	443.478	1.954	20	5		IDBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790629801	939155136	/nfs/dbraw/zinc/15/51/36/939155136.db2.gz	PASFBIWPSVIUAP-GOSISDBHSA-N	-1	0	443.478	1.900	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C2CC2)CC1	ZINC000531748237	939259508	/nfs/dbraw/zinc/25/95/08/939259508.db2.gz	SAIQZUXLWJPWIC-INIZCTEOSA-N	-1	0	425.463	1.283	20	5		IDBDRM
O=C([O-])[C@]1(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCOC1	ZINC000761919155	939070056	/nfs/dbraw/zinc/07/00/56/939070056.db2.gz	DFDTVCICPDXGOD-SFHVURJKSA-N	-1	0	436.398	1.336	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)[C@H]1CCCOC1	ZINC000762236757	939072167	/nfs/dbraw/zinc/07/21/67/939072167.db2.gz	DRHFMDVQKUSOKY-QPUJVOFHSA-N	-1	0	434.186	1.809	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)[C@H]1CCCOC1	ZINC000762236758	939072427	/nfs/dbraw/zinc/07/24/27/939072427.db2.gz	DRHFMDVQKUSOKY-UFBFGSQYSA-N	-1	0	434.186	1.809	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000790627327	939152334	/nfs/dbraw/zinc/15/23/34/939152334.db2.gz	IDMXOELEGQQKPU-INIZCTEOSA-N	-1	0	449.869	1.991	20	5		IDBDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000794907124	939156703	/nfs/dbraw/zinc/15/67/03/939156703.db2.gz	PPOJAAJIYPJEDI-QGZVFWFLSA-N	-1	0	445.450	1.346	20	5		IDBDRM
CCO[C@@H]1C[C@](NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)(C(=O)[O-])C1(C)C	ZINC000439722237	939202204	/nfs/dbraw/zinc/20/22/04/939202204.db2.gz	VUGAMKXTMWCVFY-IERDGZPVSA-N	-1	0	444.444	1.837	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@](C)(C(=O)[O-])C2CC2)CC1	ZINC000538503655	939275745	/nfs/dbraw/zinc/27/57/45/939275745.db2.gz	CKFHKLKEEJIZNL-IBGZPJMESA-N	-1	0	439.490	1.673	20	5		IDBDRM
C[C@](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000563879455	939341638	/nfs/dbraw/zinc/34/16/38/939341638.db2.gz	UERQXIWSWSBZBD-LJQANCHMSA-N	-1	0	435.458	1.840	20	5		IDBDRM
C[C@](NC(=O)NCCc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000568586166	939368628	/nfs/dbraw/zinc/36/86/28/939368628.db2.gz	OAIUYNRCBOUWBC-LJQANCHMSA-N	-1	0	435.458	1.840	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000780476722	939126968	/nfs/dbraw/zinc/12/69/68/939126968.db2.gz	LZWYYDQKVWLTAT-OAHLLOKOSA-N	-1	0	428.467	1.206	20	5		IDBDRM
COc1cc(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000790627691	939152805	/nfs/dbraw/zinc/15/28/05/939152805.db2.gz	LFIDIUDRJAHPMM-QGZVFWFLSA-N	-1	0	445.450	1.346	20	5		IDBDRM
Cc1ccc(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000790628832	939154234	/nfs/dbraw/zinc/15/42/34/939154234.db2.gz	FWNCITJPNGXXFW-KRWDZBQOSA-N	-1	0	429.451	1.646	20	5		IDBDRM
COc1ccc(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000790628668	939154381	/nfs/dbraw/zinc/15/43/81/939154381.db2.gz	CQFSKAAVMVKRSV-QGZVFWFLSA-N	-1	0	445.450	1.346	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000790629195	939155189	/nfs/dbraw/zinc/15/51/89/939155189.db2.gz	KUGHAIOVKHJTFX-GOSISDBHSA-N	-1	0	443.478	1.521	20	5		IDBDRM
CCO[C@H]1C[C@@](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(C(=O)[O-])C1(C)C	ZINC000439724104	939202755	/nfs/dbraw/zinc/20/27/55/939202755.db2.gz	YTFICNAPBUIZTA-KBXCAEBGSA-N	-1	0	443.478	1.038	20	5		IDBDRM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2)cc1[N+](=O)[O-]	ZINC000540712851	939295214	/nfs/dbraw/zinc/29/52/14/939295214.db2.gz	CGSOVYYEZXXXPC-IBGZPJMESA-N	-1	0	449.441	1.678	20	5		IDBDRM
C[C@@](NC(=O)NCCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000569658665	939376920	/nfs/dbraw/zinc/37/69/20/939376920.db2.gz	AYWBPBNIPMWPHC-IBGZPJMESA-N	-1	0	435.458	1.840	20	5		IDBDRM
Cc1ccc(C)c(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000790628255	939153365	/nfs/dbraw/zinc/15/33/65/939153365.db2.gz	QOFXWJIZLCWFDA-SFHVURJKSA-N	-1	0	443.478	1.954	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000790629498	939155182	/nfs/dbraw/zinc/15/51/82/939155182.db2.gz	OLYUDHSNGUHMFU-MRXNPFEDSA-N	-1	0	433.414	1.476	20	5		IDBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790629910	939155626	/nfs/dbraw/zinc/15/56/26/939155626.db2.gz	QBJQHCJAOVLBMS-QGZVFWFLSA-N	-1	0	445.450	1.346	20	5		IDBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790629908	939155721	/nfs/dbraw/zinc/15/57/21/939155721.db2.gz	QBJQHCJAOVLBMS-KRWDZBQOSA-N	-1	0	445.450	1.346	20	5		IDBDRM
O=C([O-])C1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCCC1	ZINC000556837044	939308357	/nfs/dbraw/zinc/30/83/57/939308357.db2.gz	GNVVLQBBPQTMCE-CYBMUJFWSA-N	-1	0	425.463	1.509	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000780468268	939125365	/nfs/dbraw/zinc/12/53/65/939125365.db2.gz	KLPBKXPNYYLGFM-HNNXBMFYSA-N	-1	0	428.467	1.206	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000790628228	939153345	/nfs/dbraw/zinc/15/33/45/939153345.db2.gz	PKHSRNRICTZFDO-INIZCTEOSA-N	-1	0	433.414	1.476	20	5		IDBDRM
Cc1ccc(C)c(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000790628254	939153424	/nfs/dbraw/zinc/15/34/24/939153424.db2.gz	QOFXWJIZLCWFDA-GOSISDBHSA-N	-1	0	443.478	1.954	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628474	939153955	/nfs/dbraw/zinc/15/39/55/939153955.db2.gz	ZCMWNLZLOOYUCW-KRWDZBQOSA-N	-1	0	429.451	1.646	20	5		IDBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1C	ZINC000790630525	939155696	/nfs/dbraw/zinc/15/56/96/939155696.db2.gz	TWONDKSDDASYKO-GOSISDBHSA-N	-1	0	443.478	1.954	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000790630993	939156196	/nfs/dbraw/zinc/15/61/96/939156196.db2.gz	WOAFESFTCMKVBJ-MRXNPFEDSA-N	-1	0	433.414	1.476	20	5		IDBDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000794907123	939156821	/nfs/dbraw/zinc/15/68/21/939156821.db2.gz	PPOJAAJIYPJEDI-KRWDZBQOSA-N	-1	0	445.450	1.346	20	5		IDBDRM
CCO[C@H]1C[C@@](NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)(C(=O)[O-])C1(C)C	ZINC000439722231	939201976	/nfs/dbraw/zinc/20/19/76/939201976.db2.gz	VUGAMKXTMWCVFY-HRAATJIYSA-N	-1	0	444.444	1.837	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])C2CC2)CC1	ZINC000531748243	939259612	/nfs/dbraw/zinc/25/96/12/939259612.db2.gz	SAIQZUXLWJPWIC-MRXNPFEDSA-N	-1	0	425.463	1.283	20	5		IDBDRM
C[C@](NC(=O)NCCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000569658666	939376819	/nfs/dbraw/zinc/37/68/19/939376819.db2.gz	AYWBPBNIPMWPHC-LJQANCHMSA-N	-1	0	435.458	1.840	20	5		IDBDRM
COc1cc(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000790627690	939152933	/nfs/dbraw/zinc/15/29/33/939152933.db2.gz	LFIDIUDRJAHPMM-KRWDZBQOSA-N	-1	0	445.450	1.346	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000790628229	939153415	/nfs/dbraw/zinc/15/34/15/939153415.db2.gz	PKHSRNRICTZFDO-MRXNPFEDSA-N	-1	0	433.414	1.476	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000790629196	939155207	/nfs/dbraw/zinc/15/52/07/939155207.db2.gz	KUGHAIOVKHJTFX-SFHVURJKSA-N	-1	0	443.478	1.521	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCC2)CC1	ZINC000538465073	939272215	/nfs/dbraw/zinc/27/22/15/939272215.db2.gz	PGJKJILRABGKAK-UHFFFAOYSA-N	-1	0	425.463	1.427	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1	ZINC000428028991	939146702	/nfs/dbraw/zinc/14/67/02/939146702.db2.gz	WZWZFAYZZMZUGK-CRAIPNDOSA-N	-1	0	447.469	1.938	20	5		IDBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000790628241	939153341	/nfs/dbraw/zinc/15/33/41/939153341.db2.gz	PZEGILHVGSSXIA-SFHVURJKSA-N	-1	0	443.478	1.954	20	5		IDBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628693	939154138	/nfs/dbraw/zinc/15/41/38/939154138.db2.gz	DSQCEMGZBYCPJG-GOSISDBHSA-N	-1	0	443.478	1.954	20	5		IDBDRM
Cc1cc(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000790630614	939155764	/nfs/dbraw/zinc/15/57/64/939155764.db2.gz	UJHZOPZAQSLIDH-QGZVFWFLSA-N	-1	0	429.451	1.646	20	5		IDBDRM
Cc1cc(=O)c(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000532591987	939263041	/nfs/dbraw/zinc/26/30/41/939263041.db2.gz	BEMFCFJMZQZDCU-UHFFFAOYSA-N	-1	0	434.408	1.801	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F	ZINC000766954005	939077311	/nfs/dbraw/zinc/07/73/11/939077311.db2.gz	MLUQUQJEURDWMA-MRXNPFEDSA-N	-1	0	443.384	1.484	20	5		IDBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000428007140	939145565	/nfs/dbraw/zinc/14/55/65/939145565.db2.gz	TYPGWGBZKJQVOU-LJQANCHMSA-N	-1	0	426.429	1.819	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1	ZINC000790627560	939152585	/nfs/dbraw/zinc/15/25/85/939152585.db2.gz	INXZCDJDXJZYHM-QGZVFWFLSA-N	-1	0	429.451	1.478	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000790628043	939152790	/nfs/dbraw/zinc/15/27/90/939152790.db2.gz	MUBBKDAJERRTTO-QGZVFWFLSA-N	-1	0	429.451	1.478	20	5		IDBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000790628240	939153386	/nfs/dbraw/zinc/15/33/86/939153386.db2.gz	PZEGILHVGSSXIA-GOSISDBHSA-N	-1	0	443.478	1.954	20	5		IDBDRM
Cc1cc(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc([N+](=O)[O-])c1C	ZINC000790628112	939153489	/nfs/dbraw/zinc/15/34/89/939153489.db2.gz	ONYIARUOZSUAIV-SFHVURJKSA-N	-1	0	443.478	1.954	20	5		IDBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628475	939153966	/nfs/dbraw/zinc/15/39/66/939153966.db2.gz	ZCMWNLZLOOYUCW-QGZVFWFLSA-N	-1	0	429.451	1.646	20	5		IDBDRM
COc1ccc(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000790629493	939155146	/nfs/dbraw/zinc/15/51/46/939155146.db2.gz	OJTVEJBBHGTBQN-KRWDZBQOSA-N	-1	0	445.450	1.346	20	5		IDBDRM
CCO[C@H]1C[C@](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000439707735	939193862	/nfs/dbraw/zinc/19/38/62/939193862.db2.gz	RCGFBFJTBIYYGW-SGTLLEGYSA-N	-1	0	427.841	1.753	20	5		IDBDRM
CCO[C@H]1C[C@](NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)(C(=O)[O-])C1(C)C	ZINC000439722242	939202027	/nfs/dbraw/zinc/20/20/27/939202027.db2.gz	VUGAMKXTMWCVFY-KKSFZXQISA-N	-1	0	444.444	1.837	20	5		IDBDRM
CCO[C@H]1C[C@](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(C(=O)[O-])C1(C)C	ZINC000439724109	939202436	/nfs/dbraw/zinc/20/24/36/939202436.db2.gz	YTFICNAPBUIZTA-KSSFIOAISA-N	-1	0	443.478	1.038	20	5		IDBDRM
CC[C@@](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1	ZINC000485380655	939228902	/nfs/dbraw/zinc/22/89/02/939228902.db2.gz	ISMRPFMGIVVUBY-IBGZPJMESA-N	-1	0	435.458	1.770	20	5		IDBDRM
C[C@@](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000563879454	939341694	/nfs/dbraw/zinc/34/16/94/939341694.db2.gz	UERQXIWSWSBZBD-IBGZPJMESA-N	-1	0	435.458	1.840	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000790627329	939152537	/nfs/dbraw/zinc/15/25/37/939152537.db2.gz	IDMXOELEGQQKPU-MRXNPFEDSA-N	-1	0	449.869	1.991	20	5		IDBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)c1C	ZINC000790628435	939153949	/nfs/dbraw/zinc/15/39/49/939153949.db2.gz	XTWWZUFWZICEDF-SFHVURJKSA-N	-1	0	443.478	1.954	20	5		IDBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790628485	939153953	/nfs/dbraw/zinc/15/39/53/939153953.db2.gz	ZNSXVWNYEMUWLX-QGZVFWFLSA-N	-1	0	429.451	1.646	20	5		IDBDRM
COc1ccc(S(=O)(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000790629495	939155070	/nfs/dbraw/zinc/15/50/70/939155070.db2.gz	OJTVEJBBHGTBQN-QGZVFWFLSA-N	-1	0	445.450	1.346	20	5		IDBDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000790629497	939155121	/nfs/dbraw/zinc/15/51/21/939155121.db2.gz	OLYUDHSNGUHMFU-INIZCTEOSA-N	-1	0	433.414	1.476	20	5		IDBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790631166	939156265	/nfs/dbraw/zinc/15/62/65/939156265.db2.gz	ZSJHLKDRYGMHRR-KRWDZBQOSA-N	-1	0	429.451	1.646	20	5		IDBDRM
CCO[C@@H]1C[C@@](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(C(=O)[O-])C1(C)C	ZINC000439724111	939202371	/nfs/dbraw/zinc/20/23/71/939202371.db2.gz	YTFICNAPBUIZTA-RDTXWAMCSA-N	-1	0	443.478	1.038	20	5		IDBDRM
O=C([O-])[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1	ZINC000571978782	939395546	/nfs/dbraw/zinc/39/55/46/939395546.db2.gz	IPJYOJGDXLQARS-PRHODGIISA-N	-1	0	434.186	1.809	20	5		IDBDRM
O=C([O-])[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1	ZINC000571978784	939395581	/nfs/dbraw/zinc/39/55/81/939395581.db2.gz	IPJYOJGDXLQARS-UFBFGSQYSA-N	-1	0	434.186	1.809	20	5		IDBDRM
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])c1	ZINC000603570397	939807173	/nfs/dbraw/zinc/80/71/73/939807173.db2.gz	DHSDKWKFGXRLKQ-UHFFFAOYSA-N	-1	0	443.478	1.518	20	5		IDBDRM