smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cc(Br)c([O-])c([N+](=O)[O-])c2)S1	ZINC000222571321	568653414	/nfs/dbraw/zinc/65/34/14/568653414.db2.gz	CXRDKVVWWNXDDF-ZWZTZDBGSA-N	-1	0	435.303	4.047	40	5		IIBBRM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc([N+](=O)[O-])c2)N1C(=O)c1ccccc1	ZINC000016476638	568906685	/nfs/dbraw/zinc/90/66/85/568906685.db2.gz	ZZFHKCVXOBTQOY-FYYLOGMGSA-N	-1	0	441.443	4.317	40	5		IIBBRM
O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br	ZINC000215049366	569215902	/nfs/dbraw/zinc/21/59/02/569215902.db2.gz	GGICOUNCCZFGEM-OVCLIPMQSA-N	-1	0	435.255	4.299	40	5		IIBBRM
CCCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)[O-])n[nH]1	ZINC000408632524	557422760	/nfs/dbraw/zinc/42/27/60/557422760.db2.gz	QWLINPCLLXUATN-YBEGLDIGSA-N	-1	0	430.442	4.152	40	5		IIBBRM
Cc1c(C)c([O-])c(S(=O)(=O)c2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000026786985	568916857	/nfs/dbraw/zinc/91/68/57/568916857.db2.gz	CBCQICPLTBSOGZ-UHFFFAOYSA-N	-1	0	426.450	4.002	40	5		IIBBRM
Cc1c(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cccc1[N+](=O)[O-]	ZINC000020503324	525651021	/nfs/dbraw/zinc/65/10/21/525651021.db2.gz	YKLRHVFLTGOQLI-UHFFFAOYSA-N	-1	0	430.052	4.386	40	5		IIBBRM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3nc2NC2CCCCC2)cc1	ZINC000016310437	568876626	/nfs/dbraw/zinc/87/66/26/568876626.db2.gz	MLAABYAYUWMPIR-UHFFFAOYSA-N	-1	0	441.513	4.392	40	5		IIBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000020142778	569335879	/nfs/dbraw/zinc/33/58/79/569335879.db2.gz	PXDDNTXSZLALHZ-UHFFFAOYSA-N	-1	0	433.848	4.198	40	5		IIBBRM
CCc1nc(SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[nH]1	ZINC000408631567	557422666	/nfs/dbraw/zinc/42/26/66/557422666.db2.gz	KJWJAFDLIJXVFY-BOPFTXTBSA-N	-1	0	426.454	4.072	40	5		IIBBRM
CCc1nc(SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)[O-])n[nH]1	ZINC000408630538	557424121	/nfs/dbraw/zinc/42/41/21/557424121.db2.gz	BGMBBFHWKXXYDI-BOPFTXTBSA-N	-1	0	426.454	4.072	40	5		IIBBRM
O=C1[N-]C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)N1	ZINC000034688858	557848408	/nfs/dbraw/zinc/84/84/08/557848408.db2.gz	BZMFQOLKIYFMPV-IZZDOVSWSA-N	-1	0	427.722	4.240	40	5		IIBBRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000009724358	569297857	/nfs/dbraw/zinc/29/78/57/569297857.db2.gz	DLAJSEYPUIEINM-QHHAFSJGSA-N	-1	0	440.264	4.126	40	5		IIBBRM
Cc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016347820	526144477	/nfs/dbraw/zinc/14/44/77/526144477.db2.gz	OOLWQWNCHTYPAH-UHFFFAOYSA-N	-1	0	428.253	4.035	40	5		IIBBRM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)N2	ZINC000409099799	556630164	/nfs/dbraw/zinc/63/01/64/556630164.db2.gz	UFOZJYYGQGXAGA-ZXYWRSMDSA-N	-1	0	427.423	4.049	40	5		IIBBRM
CCCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)[O-])n[nH]1	ZINC000408632738	557422949	/nfs/dbraw/zinc/42/29/49/557422949.db2.gz	SAZYVAQORKPSPM-YBEGLDIGSA-N	-1	0	430.442	4.152	40	5		IIBBRM
CCOc1cc(C(=O)[O-])cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408635542	557423288	/nfs/dbraw/zinc/42/32/88/557423288.db2.gz	DIULNCZOZVGEKC-UHFFFAOYSA-N	-1	0	427.163	4.155	40	5		IIBBRM
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)c1	ZINC000015791004	568837976	/nfs/dbraw/zinc/83/79/76/568837976.db2.gz	ZEYBRZBOIFNLIB-UHFFFAOYSA-N	-1	0	425.466	4.265	40	5		IIBBRM
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000010009761	569299017	/nfs/dbraw/zinc/29/90/17/569299017.db2.gz	IONQTHATRPTBCT-UHFFFAOYSA-N	-1	0	437.886	4.363	40	5		IIBBRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000016399973	526345773	/nfs/dbraw/zinc/34/57/73/526345773.db2.gz	JDXXISMZICOFRR-UHFFFAOYSA-N	-1	0	445.840	4.333	40	5		IIBBRM
CCCc1nc(SC(=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C(=O)[O-])n[nH]1	ZINC000408632289	557422658	/nfs/dbraw/zinc/42/26/58/557422658.db2.gz	PSDFAVIXVIOUDH-YBEGLDIGSA-N	-1	0	430.442	4.152	40	5		IIBBRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])o1	ZINC000408632905	557423074	/nfs/dbraw/zinc/42/30/74/557423074.db2.gz	UWLRLYVCQOODKL-BOPFTXTBSA-N	-1	0	427.438	4.337	40	5		IIBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)N1Cc1ccc(Cl)cc1	ZINC000214193980	569265416	/nfs/dbraw/zinc/26/54/16/569265416.db2.gz	GESOYJBGKWIUCD-MKMNVTDBSA-N	-1	0	435.801	4.099	40	5		IIBBRM
Cc1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)[O-])cc4)N[C@@H]3C)o2)c([N+](=O)[O-])cc1C	ZINC000016268029	556596067	/nfs/dbraw/zinc/59/60/67/556596067.db2.gz	QEAFXJSZCKJSPK-IYSPOMMRSA-N	-1	0	447.447	4.493	40	5		IIBBRM
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cc(Br)c([O-])c([N+](=O)[O-])c2)S1	ZINC000260756021	557853232	/nfs/dbraw/zinc/85/32/32/557853232.db2.gz	CXRDKVVWWNXDDF-DFKRKDTASA-N	-1	0	435.303	4.047	40	5		IIBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000020142632	569336023	/nfs/dbraw/zinc/33/60/23/569336023.db2.gz	DGEAWYPEUOVYNJ-UHFFFAOYSA-N	-1	0	447.875	4.444	40	5		IIBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)c1ccccc1	ZINC000408702354	556618020	/nfs/dbraw/zinc/61/80/20/556618020.db2.gz	DPJWHLBZOMZSSQ-MRXNPFEDSA-N	-1	0	439.493	4.195	40	5		IIBBRM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102747739	557380841	/nfs/dbraw/zinc/38/08/41/557380841.db2.gz	LRTXWKMPYITVEG-XPWALMASSA-N	-1	0	443.459	4.263	40	5		IIBBRM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc([N+](=O)[O-])c2)N1C(=O)c1ccccc1	ZINC000016476635	568906689	/nfs/dbraw/zinc/90/66/89/568906689.db2.gz	ZZFHKCVXOBTQOY-JTHBVZDNSA-N	-1	0	441.443	4.317	40	5		IIBBRM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc([N+](=O)[O-])c2)N1C(=O)c1ccccc1	ZINC000016476640	568906848	/nfs/dbraw/zinc/90/68/48/568906848.db2.gz	ZZFHKCVXOBTQOY-GMAHTHKFSA-N	-1	0	441.443	4.317	40	5		IIBBRM
CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000261363639	569315782	/nfs/dbraw/zinc/31/57/82/569315782.db2.gz	UXCATLOBUQCVTI-LJQANCHMSA-O	-1	0	440.505	4.005	40	5		IIBBRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1	ZINC000016399704	526346230	/nfs/dbraw/zinc/34/62/30/526346230.db2.gz	PRQPCAWXDVFROV-SNAWJCMRSA-N	-1	0	440.264	4.126	40	5		IIBBRM
O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000409103912	556952561	/nfs/dbraw/zinc/95/25/61/556952561.db2.gz	HQIKNOHBQVUVPR-UNOMPAQXSA-N	-1	0	449.444	4.320	40	5		IIBBRM
CCCCOC(=O)c1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000409335550	557072451	/nfs/dbraw/zinc/07/24/51/557072451.db2.gz	OWWXTJYMKANCNH-NTMALXAHSA-N	-1	0	425.397	4.183	40	5		IIBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000409411076	557104172	/nfs/dbraw/zinc/10/41/72/557104172.db2.gz	TZDWCJRMTWYRQJ-UHFFFAOYSA-N	-1	0	425.466	4.265	40	5		IIBBRM
O=C([O-])CCC(=O)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1	ZINC000016431273	568900464	/nfs/dbraw/zinc/90/04/64/568900464.db2.gz	HSESPTXQEXFKBZ-UHFFFAOYSA-N	-1	0	448.438	4.067	40	5		IIBBRM
CCCCn1c(=O)c2c([O-])c(Br)c(=O)oc2c2cc(Br)ccc21	ZINC000019419146	556755339	/nfs/dbraw/zinc/75/53/39/556755339.db2.gz	DFHMOMXLRFODSQ-UHFFFAOYSA-N	-1	0	443.091	4.139	40	5		IIBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)[O-])o2)c1	ZINC000408631017	557422436	/nfs/dbraw/zinc/42/24/36/557422436.db2.gz	BQDHFJMFDKVTKL-REZTVBANSA-N	-1	0	443.437	4.188	40	5		IIBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408633442	557423083	/nfs/dbraw/zinc/42/30/83/557423083.db2.gz	YKUXOGZRICJWLO-NVNXTCNLSA-N	-1	0	432.845	4.260	40	5		IIBBRM
COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408633164	557423091	/nfs/dbraw/zinc/42/30/91/557423091.db2.gz	WRSVCROSICMDAY-NVMNQCDNSA-N	-1	0	443.437	4.092	40	5		IIBBRM
CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018084875	569284706	/nfs/dbraw/zinc/28/47/06/569284706.db2.gz	IYRZRYZMLBGFCS-VABKMULXSA-N	-1	0	443.459	4.208	40	5		IIBBRM
Cc1nc([N-]c2cccc3nsnc32)nc(Nc2cccc3nsnc32)c1[N+](=O)[O-]	ZINC000013476019	556755471	/nfs/dbraw/zinc/75/54/71/556755471.db2.gz	RRJVIWQQUBWUOT-UHFFFAOYSA-N	-1	0	437.470	4.190	40	5		IIBBRM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc21	ZINC000409357413	557084780	/nfs/dbraw/zinc/08/47/80/557084780.db2.gz	IWTMYXJUZVJUOT-YBFXNURJSA-N	-1	0	449.444	4.129	40	5		IIBBRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])n[nH]1	ZINC000408631823	557422721	/nfs/dbraw/zinc/42/27/21/557422721.db2.gz	LXXPDMOSUIHHBN-PDGQHHTCSA-N	-1	0	440.481	4.462	40	5		IIBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O	ZINC000409123318	556962244	/nfs/dbraw/zinc/96/22/44/556962244.db2.gz	GDQYBRJHXNIOAN-QLKAYGNNSA-N	-1	0	443.220	4.283	40	5		IIBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1	ZINC000409317744	557060966	/nfs/dbraw/zinc/06/09/66/557060966.db2.gz	SAZJCTZFRYPOGD-BQYQJAHWSA-N	-1	0	429.816	4.207	40	5		IIBBRM
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C	ZINC000013980892	557199858	/nfs/dbraw/zinc/19/98/58/557199858.db2.gz	VQYFYQFPNMWLGY-UHFFFAOYSA-N	-1	0	425.466	4.265	40	5		IIBBRM
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1	ZINC000100980176	557209867	/nfs/dbraw/zinc/20/98/67/557209867.db2.gz	PKIPREABKFBABA-ZRBLBEILSA-N	-1	0	443.459	4.263	40	5		IIBBRM
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(Cl)c1	ZINC000102759727	557379494	/nfs/dbraw/zinc/37/94/94/557379494.db2.gz	LCMWRHVBRKMAMK-ACRUOGEOSA-N	-1	0	449.850	4.299	40	5		IIBBRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000019644025	526370021	/nfs/dbraw/zinc/37/00/21/526370021.db2.gz	WHUGLUAZNKDDBG-UHFFFAOYSA-N	-1	0	445.840	4.333	40	5		IIBBRM
Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000408685429	556616856	/nfs/dbraw/zinc/61/68/56/556616856.db2.gz	PLDCUTUTTSSOBV-QFIPXVFZSA-N	-1	0	437.473	4.201	40	5		IIBBRM
Cc1nnc(SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])[nH]1	ZINC000409189626	556633361	/nfs/dbraw/zinc/63/33/61/556633361.db2.gz	LUXGNIJLNZICOL-GRSHGNNSSA-N	-1	0	435.465	4.242	40	5		IIBBRM
O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1	ZINC000409166332	556982268	/nfs/dbraw/zinc/98/22/68/556982268.db2.gz	DBVGTXYNUCFMDF-OVCLIPMQSA-N	-1	0	435.255	4.299	40	5		IIBBRM
CCOC(=O)c1cc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)ccc1Cl	ZINC000409316443	557060378	/nfs/dbraw/zinc/06/03/78/557060378.db2.gz	XTBQIBFKRGCMIQ-DAXSKMNVSA-N	-1	0	431.788	4.057	40	5		IIBBRM
CCc1nnc(S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])o1	ZINC000408631240	557422815	/nfs/dbraw/zinc/42/28/15/557422815.db2.gz	GRSCYYVHAFXVAO-BOPFTXTBSA-N	-1	0	427.438	4.337	40	5		IIBBRM
O=C([O-])/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408633732	557423064	/nfs/dbraw/zinc/42/30/64/557423064.db2.gz	LSVQYGXESQNJKS-UUASQNMZSA-N	-1	0	447.812	4.245	40	5		IIBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1	ZINC000008810920	569290770	/nfs/dbraw/zinc/29/07/70/569290770.db2.gz	SOFKKFMSFQNCSF-UHFFFAOYSA-N	-1	0	447.419	4.235	40	5		IIBBRM
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000218409646	569457389	/nfs/dbraw/zinc/45/73/89/569457389.db2.gz	BUHYFYFBXOPZAO-UHFFFAOYSA-N	-1	0	431.857	4.301	40	5		IIBBRM
COc1ccc(C(=O)N(Cc2ccc(C)cc2)Cc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000004202695	569460927	/nfs/dbraw/zinc/46/09/27/569460927.db2.gz	SUMMXBONSAMBNC-UHFFFAOYSA-N	-1	0	434.448	4.453	40	5		IIBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1F)c1ccc(Cl)cc1	ZINC000008810106	569290820	/nfs/dbraw/zinc/29/08/20/569290820.db2.gz	FKJDFWIJDLJKRR-UHFFFAOYSA-N	-1	0	449.847	4.440	40	5		IIBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Cl	ZINC000009142344	569293943	/nfs/dbraw/zinc/29/39/43/569293943.db2.gz	BMGKOVYQSLRNQP-UHFFFAOYSA-N	-1	0	445.840	4.333	40	5		IIBBRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016384469	526346129	/nfs/dbraw/zinc/34/61/29/526346129.db2.gz	URNWIYHTGNPTNG-UHFFFAOYSA-N	-1	0	448.671	4.380	40	5		IIBBRM
O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000409100865	556630139	/nfs/dbraw/zinc/63/01/39/556630139.db2.gz	XAGYQNMVPDTNRK-UNOMPAQXSA-N	-1	0	449.444	4.320	40	5		IIBBRM
Cc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1[N+](=O)[O-]	ZINC000032116787	569460269	/nfs/dbraw/zinc/46/02/69/569460269.db2.gz	YYHBTLIISKFBPZ-UHFFFAOYSA-N	-1	0	430.052	4.386	40	5		IIBBRM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101124163	557260743	/nfs/dbraw/zinc/26/07/43/557260743.db2.gz	LRTXWKMPYITVEG-VJBWXMMDSA-N	-1	0	443.459	4.263	40	5		IIBBRM
CCCc1nc(SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[nH]1	ZINC000408630832	557424228	/nfs/dbraw/zinc/42/42/28/557424228.db2.gz	DASAUHCQUOCQFH-PDGQHHTCSA-N	-1	0	440.481	4.462	40	5		IIBBRM
O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000015219198	568732832	/nfs/dbraw/zinc/73/28/32/568732832.db2.gz	PDYYVJSFWSNOOZ-VGOFMYFVSA-N	-1	0	431.404	4.197	40	5		IIBBRM
Cc1c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cccc1[N+](=O)[O-]	ZINC000015790928	568837943	/nfs/dbraw/zinc/83/79/43/568837943.db2.gz	VYPXKLTXFGCIBI-UHFFFAOYSA-N	-1	0	429.429	4.095	40	5		IIBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1F)c1ccccc1Cl	ZINC000008810424	569290810	/nfs/dbraw/zinc/29/08/10/569290810.db2.gz	GQKIOPFHNGWHJD-UHFFFAOYSA-N	-1	0	449.847	4.440	40	5		IIBBRM
CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409127605	556966090	/nfs/dbraw/zinc/96/60/90/556966090.db2.gz	OGVDRBQLBZXHQH-QGOAFFKASA-N	-1	0	428.466	4.368	40	5		IIBBRM
O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000409242515	557032619	/nfs/dbraw/zinc/03/26/19/557032619.db2.gz	OCLYSRXRRQXABV-UNOMPAQXSA-N	-1	0	449.444	4.320	40	5		IIBBRM
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1	ZINC000100980168	557209844	/nfs/dbraw/zinc/20/98/44/557209844.db2.gz	PKIPREABKFBABA-VABKMULXSA-N	-1	0	443.459	4.263	40	5		IIBBRM
O=C([N-]N1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000015223475	568732870	/nfs/dbraw/zinc/73/28/70/568732870.db2.gz	FGKOQHJBSPITHC-AUWJEWJLSA-N	-1	0	438.248	4.283	40	5		IIBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1	ZINC000008810755	569290767	/nfs/dbraw/zinc/29/07/67/569290767.db2.gz	OFVIDECTFNFUPS-UHFFFAOYSA-N	-1	0	447.419	4.235	40	5		IIBBRM
O=C([O-])c1cc(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl	ZINC000019631085	569324169	/nfs/dbraw/zinc/32/41/69/569324169.db2.gz	FHLDBVRKSMFFQM-QHHAFSJGSA-N	-1	0	440.264	4.126	40	5		IIBBRM
COc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1[N+](=O)[O-]	ZINC000032116521	569460239	/nfs/dbraw/zinc/46/02/39/569460239.db2.gz	KKLXPFWTDOGDGB-UHFFFAOYSA-N	-1	0	446.051	4.086	40	5		IIBBRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Br)c([O-])c([N+](=O)[O-])c3)N21	ZINC000222654791	568656576	/nfs/dbraw/zinc/65/65/76/568656576.db2.gz	FNDCGTZUTDWKSZ-HFBAOOFYSA-N	-1	0	449.330	4.437	40	5		IIBBRM
Cc1c(C)c([O-])c(S(=O)(=O)c2ccccc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000026787022	568916851	/nfs/dbraw/zinc/91/68/51/568916851.db2.gz	BJOUREMEBHIQRL-UHFFFAOYSA-N	-1	0	426.450	4.002	40	5		IIBBRM
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018212233	569316052	/nfs/dbraw/zinc/31/60/52/569316052.db2.gz	LRTXWKMPYITVEG-VABKMULXSA-N	-1	0	443.459	4.263	40	5		IIBBRM
COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1OCc1ccc(Cl)cc1	ZINC000409319190	556636986	/nfs/dbraw/zinc/63/69/86/556636986.db2.gz	BUPZARXIDSHCEK-YFHOEESVSA-N	-1	0	429.816	4.207	40	5		IIBBRM
CCc1nc(SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408633530	557422979	/nfs/dbraw/zinc/42/29/79/557422979.db2.gz	ZNAOXJOXDVFHJU-ODLFYWEKSA-N	-1	0	449.492	4.496	40	5		IIBBRM
O=[N+]([O-])c1ccc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000025558200	563027531	/nfs/dbraw/zinc/02/75/31/563027531.db2.gz	OMOSYYVYEGXVHK-UHFFFAOYSA-N	-1	0	430.398	4.237	40	5	in-vitro	IIBBRM
Cc1cc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000016283149	568875361	/nfs/dbraw/zinc/87/53/61/568875361.db2.gz	CTWVFHVOTBOPDK-UHFFFAOYSA-N	-1	0	428.253	4.035	40	5		IIBBRM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102743901	557380956	/nfs/dbraw/zinc/38/09/56/557380956.db2.gz	WEPISVQXWMCQEK-XPWALMASSA-N	-1	0	443.459	4.263	40	5		IIBBRM
COc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000408634619	557423262	/nfs/dbraw/zinc/42/32/62/557423262.db2.gz	SNCNMBQSEGINLW-DHDCSXOGSA-N	-1	0	432.845	4.260	40	5		IIBBRM
Cc1c(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c3ccccc3c(=O)oc12	ZINC000100764924	557455104	/nfs/dbraw/zinc/45/51/04/557455104.db2.gz	AWLOHOKCXNGHMM-YESZJQIVSA-N	-1	0	437.492	4.029	40	5		IIBBRM
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cc(Br)c([O-])c([N+](=O)[O-])c2)S1	ZINC000260756025	557853247	/nfs/dbraw/zinc/85/32/47/557853247.db2.gz	CXRDKVVWWNXDDF-TURNYIBQSA-N	-1	0	435.303	4.047	40	5		IIBBRM
C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)c([O-])c([N+](=O)[O-])c2)S1	ZINC000222571257	568653433	/nfs/dbraw/zinc/65/34/33/568653433.db2.gz	CXRDKVVWWNXDDF-LNHVQRHZSA-N	-1	0	435.303	4.047	40	5		IIBBRM
C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cc(Br)c([O-])c([N+](=O)[O-])c2)S1	ZINC000222571379	568653545	/nfs/dbraw/zinc/65/35/45/568653545.db2.gz	CXRDKVVWWNXDDF-AMFBXLIHSA-N	-1	0	435.303	4.047	40	5		IIBBRM
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Br)c([O-])c([N+](=O)[O-])c3)N21	ZINC000222654725	568656550	/nfs/dbraw/zinc/65/65/50/568656550.db2.gz	FNDCGTZUTDWKSZ-KNXALSJPSA-N	-1	0	449.330	4.437	40	5		IIBBRM
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1	ZINC000015790965	568837954	/nfs/dbraw/zinc/83/79/54/568837954.db2.gz	OKFRMLRZMBVNCN-UHFFFAOYSA-N	-1	0	425.466	4.265	40	5		IIBBRM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000026786916	568916867	/nfs/dbraw/zinc/91/68/67/568916867.db2.gz	RAVPWGDQXSJSPL-UHFFFAOYSA-N	-1	0	426.450	4.002	40	5		IIBBRM
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018057307	569284553	/nfs/dbraw/zinc/28/45/53/569284553.db2.gz	UEWFDSYOPMVXMZ-FKBYEOEOSA-N	-1	0	447.422	4.093	40	5		IIBBRM
CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000261363638	569315749	/nfs/dbraw/zinc/31/57/49/569315749.db2.gz	UXCATLOBUQCVTI-IBGZPJMESA-O	-1	0	440.505	4.005	40	5		IIBBRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116581	569460282	/nfs/dbraw/zinc/46/02/82/569460282.db2.gz	ANXFFIGVDQEDOW-SNAWJCMRSA-N	-1	0	442.063	4.477	40	5		IIBBRM
Cc1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)[O-])cc4)N[C@H]3C)o2)c([N+](=O)[O-])cc1C	ZINC000016268026	526040179	/nfs/dbraw/zinc/04/01/79/526040179.db2.gz	QEAFXJSZCKJSPK-UZUMKDMXSA-N	-1	0	447.447	4.493	40	5		IIBBRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000016385710	526346209	/nfs/dbraw/zinc/34/62/09/526346209.db2.gz	QSTXNDYVUPCLCS-UHFFFAOYSA-N	-1	0	448.671	4.380	40	5		IIBBRM
O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1	ZINC000035362814	527102008	/nfs/dbraw/zinc/10/20/08/527102008.db2.gz	OFEZGRPRAMXJIS-OVCLIPMQSA-N	-1	0	435.255	4.299	40	5		IIBBRM
Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000408922627	556892103	/nfs/dbraw/zinc/89/21/03/556892103.db2.gz	PRVITBBIJFWDHP-UHFFFAOYSA-N	-1	0	425.466	4.265	40	5		IIBBRM
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)[O-])n[nH]1	ZINC000408633039	557423037	/nfs/dbraw/zinc/42/30/37/557423037.db2.gz	VEWAXKNBXPCBNJ-GHRIWEEISA-N	-1	0	431.518	4.264	40	5		IIBBRM
Cc1c(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000016250131	568874935	/nfs/dbraw/zinc/87/49/35/568874935.db2.gz	MPTLCZDGLZQRNK-UHFFFAOYSA-N	-1	0	428.253	4.035	40	5		IIBBRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000016385776	568886414	/nfs/dbraw/zinc/88/64/14/568886414.db2.gz	YAOUUZXEVUQPRT-UHFFFAOYSA-N	-1	0	448.671	4.380	40	5		IIBBRM
COc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])cc(Cl)c3OC)o2)c([N+](=O)[O-])c1	ZINC000020140647	569335965	/nfs/dbraw/zinc/33/59/65/569335965.db2.gz	YVAYYAFIAVKLPZ-UHFFFAOYSA-N	-1	0	446.799	4.476	40	5		IIBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1[O-]	ZINC000409148504	556973896	/nfs/dbraw/zinc/97/38/96/556973896.db2.gz	ZMRWFCNDUNQGDY-LDADJPATSA-N	-1	0	428.466	4.368	40	5		IIBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1F)c1cccc(Cl)c1	ZINC000008810265	569290824	/nfs/dbraw/zinc/29/08/24/569290824.db2.gz	FNJGQWYPNXMGTH-UHFFFAOYSA-N	-1	0	449.847	4.440	40	5		IIBBRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(Br)c([O-])c([N+](=O)[O-])c3)N21	ZINC000260759282	569311151	/nfs/dbraw/zinc/31/11/51/569311151.db2.gz	FNDCGTZUTDWKSZ-RLCCDNCMSA-N	-1	0	449.330	4.437	40	5		IIBBRM
CCOC(=O)c1cc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)ccc1Cl	ZINC000409342029	556637596	/nfs/dbraw/zinc/63/75/96/556637596.db2.gz	CVLBYOLDWIGUHE-YVMONPNESA-N	-1	0	431.788	4.057	40	5		IIBBRM
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)c([O-])c([N+](=O)[O-])c2)S1	ZINC000222571189	568653393	/nfs/dbraw/zinc/65/33/93/568653393.db2.gz	CXRDKVVWWNXDDF-NKZPBKNFSA-N	-1	0	435.303	4.047	40	5		IIBBRM
O=c1[nH]c(C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000016398862	568887814	/nfs/dbraw/zinc/88/78/14/568887814.db2.gz	OZJHFPIKURYSMO-DAXSKMNVSA-N	-1	0	434.235	4.440	40	5		IIBBRM
O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000409232568	556635566	/nfs/dbraw/zinc/63/55/66/556635566.db2.gz	RGXSVQIJBRPSEO-UNOMPAQXSA-N	-1	0	449.444	4.320	40	5		IIBBRM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1	ZINC000005395380	556788132	/nfs/dbraw/zinc/78/81/32/556788132.db2.gz	OJUUJLAGLIZZPA-UHFFFAOYSA-N	-1	0	426.621	4.264	40	5		IIBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccccc2)[nH]1	ZINC000409311839	557057949	/nfs/dbraw/zinc/05/79/49/557057949.db2.gz	BQEQXBNAWPYQSP-SOFGYWHQSA-N	-1	0	444.241	4.308	40	5		IIBBRM
COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c1O	ZINC000408633240	557423047	/nfs/dbraw/zinc/42/30/47/557423047.db2.gz	JFXWVEVUHFTLDL-VGOFMYFVSA-N	-1	0	449.828	4.230	40	5		IIBBRM
O=C([O-])c1c(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cccc1[N+](=O)[O-]	ZINC000008741803	569472859	/nfs/dbraw/zinc/47/28/59/569472859.db2.gz	ZDRIPOVDPGNDBN-UHFFFAOYSA-N	-1	0	448.254	4.431	40	5		IIBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1ccccc1	ZINC000408702353	556617949	/nfs/dbraw/zinc/61/79/49/556617949.db2.gz	DPJWHLBZOMZSSQ-INIZCTEOSA-N	-1	0	439.493	4.195	40	5		IIBBRM
CCCCOC(=O)c1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)cc1	ZINC000409342988	556637578	/nfs/dbraw/zinc/63/75/78/556637578.db2.gz	GEKKIXBGBWJLIL-LUAWRHEFSA-N	-1	0	425.397	4.183	40	5		IIBBRM
CCc1nnc(S/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)[O-])o1	ZINC000408631137	557422512	/nfs/dbraw/zinc/42/25/12/557422512.db2.gz	FDSWZUSCYNGQME-BOPFTXTBSA-N	-1	0	427.438	4.337	40	5		IIBBRM
CCCc1nc(SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)[O-])n[nH]1	ZINC000408631228	557422810	/nfs/dbraw/zinc/42/28/10/557422810.db2.gz	GNKXYYAJSAAVKA-PDGQHHTCSA-N	-1	0	440.481	4.462	40	5		IIBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl	ZINC000014269439	557332107	/nfs/dbraw/zinc/33/21/07/557332107.db2.gz	TVWOZDMDCGTJSO-UHFFFAOYSA-N	-1	0	445.840	4.333	40	5		IIBBRM
Cc1c(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c3ccccc3c(=O)oc12	ZINC000100764921	557455125	/nfs/dbraw/zinc/45/51/25/557455125.db2.gz	AWLOHOKCXNGHMM-ZACQAIPSSA-N	-1	0	437.492	4.029	40	5		IIBBRM
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Br)c([O-])c([N+](=O)[O-])c3)N21	ZINC000222654855	568656578	/nfs/dbraw/zinc/65/65/78/568656578.db2.gz	FNDCGTZUTDWKSZ-IUIKQTSFSA-N	-1	0	449.330	4.437	40	5		IIBBRM
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000408685428	556616319	/nfs/dbraw/zinc/61/63/19/556616319.db2.gz	PLDCUTUTTSSOBV-JOCHJYFZSA-N	-1	0	437.473	4.201	40	5		IIBBRM
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000026787002	568916896	/nfs/dbraw/zinc/91/68/96/568916896.db2.gz	DEGBJQPJHDWWAH-UHFFFAOYSA-N	-1	0	426.450	4.002	40	5		IIBBRM
CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cc1[N+](=O)[O-]	ZINC000017096746	569172375	/nfs/dbraw/zinc/17/23/75/569172375.db2.gz	QJUPULHPNNDVKF-UHFFFAOYSA-N	-1	0	430.269	4.133	40	5		IIBBRM
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000102759318	557379503	/nfs/dbraw/zinc/37/95/03/557379503.db2.gz	ZVQDMUNZKRPRMG-ACRUOGEOSA-N	-1	0	449.850	4.299	40	5		IIBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000014154386	557426178	/nfs/dbraw/zinc/42/61/78/557426178.db2.gz	YAQBEAJYHPYSEJ-UHFFFAOYSA-N	-1	0	425.466	4.265	40	5		IIBBRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Br)c([O-])c([N+](=O)[O-])c3)N21	ZINC000222654660	568656580	/nfs/dbraw/zinc/65/65/80/568656580.db2.gz	FNDCGTZUTDWKSZ-XFBWCDHKSA-N	-1	0	449.330	4.437	40	5		IIBBRM
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018084873	569284678	/nfs/dbraw/zinc/28/46/78/569284678.db2.gz	IYRZRYZMLBGFCS-VJBWXMMDSA-N	-1	0	443.459	4.208	40	5		IIBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1	ZINC000020142826	569335978	/nfs/dbraw/zinc/33/59/78/569335978.db2.gz	ZJXQVPWZBJUERX-UHFFFAOYSA-N	-1	0	447.875	4.444	40	5		IIBBRM
Cc1cc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)ccc1[N+](=O)[O-]	ZINC000032116522	569460229	/nfs/dbraw/zinc/46/02/29/569460229.db2.gz	QJVHGGDJSZSYSP-UHFFFAOYSA-N	-1	0	430.052	4.386	40	5		IIBBRM
Cc1c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cccc1[N+](=O)[O-]	ZINC000015791025	568837911	/nfs/dbraw/zinc/83/79/11/568837911.db2.gz	FWGWJIIGKJZMNP-UHFFFAOYSA-N	-1	0	429.429	4.095	40	5		IIBBRM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc([N+](=O)[O-])c2)N1C(=O)c1ccccc1	ZINC000016476643	568906882	/nfs/dbraw/zinc/90/68/82/568906882.db2.gz	ZZFHKCVXOBTQOY-GGAORHGYSA-N	-1	0	441.443	4.317	40	5		IIBBRM
C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000038754267	569468818	/nfs/dbraw/zinc/46/88/18/569468818.db2.gz	SAKQZGBHQRKECE-MRXNPFEDSA-N	-1	0	439.493	4.028	40	5		IIBBRM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101112650	557255897	/nfs/dbraw/zinc/25/58/97/557255897.db2.gz	WEPISVQXWMCQEK-VJBWXMMDSA-N	-1	0	443.459	4.263	40	5		IIBBRM
O=C1[C@@H]2[C@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc(Cl)c1	ZINC000102759734	557379556	/nfs/dbraw/zinc/37/95/56/557379556.db2.gz	LCMWRHVBRKMAMK-HKBOAZHASA-N	-1	0	449.850	4.299	40	5		IIBBRM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102751640	557380286	/nfs/dbraw/zinc/38/02/86/557380286.db2.gz	RTJLZRYWKMSIAW-XPWALMASSA-N	-1	0	443.459	4.263	40	5		IIBBRM
CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1cc(Br)ccc1[O-]	ZINC000408603183	557421089	/nfs/dbraw/zinc/42/10/89/557421089.db2.gz	DYJMRYALQMDWOD-UHFFFAOYSA-N	-1	0	449.286	4.305	40	5		IIBBRM
CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1cc(Br)ccc1[O-]	ZINC000408605506	557421409	/nfs/dbraw/zinc/42/14/09/557421409.db2.gz	LPGGFXWXUQHZJD-UHFFFAOYSA-N	-1	0	449.286	4.305	40	5		IIBBRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(Br)c([O-])c([N+](=O)[O-])c3)N21	ZINC000260759279	569311160	/nfs/dbraw/zinc/31/11/60/569311160.db2.gz	FNDCGTZUTDWKSZ-LYRGGWFBSA-N	-1	0	449.330	4.437	40	5		IIBBRM
CCOc1ccc(-n2c3nc4ccc(C(C)C)cc4cc3cc3c(=O)[n-]c(=O)nc2-3)cc1	ZINC000041074101	569526331	/nfs/dbraw/zinc/52/63/31/569526331.db2.gz	IKGOHBLEVQWMEV-UHFFFAOYSA-N	-1	0	426.476	4.249	40	5		IIBBRM
Cc1ccc(Sc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000409324740	557067032	/nfs/dbraw/zinc/06/70/32/557067032.db2.gz	VHHNVVILOYBDSP-XBXARRHUSA-N	-1	0	426.410	4.334	40	5		IIBBRM
COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408631227	557422652	/nfs/dbraw/zinc/42/26/52/557422652.db2.gz	GNJFLPWQFXUDNP-ZDLGFXPLSA-N	-1	0	443.437	4.092	40	5		IIBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[nH]1	ZINC000408631762	557422776	/nfs/dbraw/zinc/42/27/76/557422776.db2.gz	LFTZQNZKQGNSOE-NVNXTCNLSA-N	-1	0	432.845	4.260	40	5		IIBBRM
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017917050	569275372	/nfs/dbraw/zinc/27/53/72/569275372.db2.gz	RTJLZRYWKMSIAW-VABKMULXSA-N	-1	0	443.459	4.263	40	5		IIBBRM
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018192090	569287486	/nfs/dbraw/zinc/28/74/86/569287486.db2.gz	WEPISVQXWMCQEK-VABKMULXSA-N	-1	0	443.459	4.263	40	5		IIBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000020142582	569335826	/nfs/dbraw/zinc/33/58/26/569335826.db2.gz	BKIPNXCXSADTER-UHFFFAOYSA-N	-1	0	433.848	4.198	40	5		IIBBRM
C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000038754265	569468811	/nfs/dbraw/zinc/46/88/11/569468811.db2.gz	SAKQZGBHQRKECE-INIZCTEOSA-N	-1	0	439.493	4.028	40	5		IIBBRM