smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020049599	569332787	/nfs/dbraw/zinc/33/27/87/569332787.db2.gz	OHPOKABKIUUFCC-UHFFFAOYSA-N	0	1	432.845	3.696	40	5		IHBBMN
CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1	ZINC000408675030	556614266	/nfs/dbraw/zinc/61/42/66/556614266.db2.gz	PFJYFWJDKDPEMU-UHFFFAOYSA-N	0	1	431.861	3.967	40	5		IHBBMN
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101091606	557242922	/nfs/dbraw/zinc/24/29/22/557242922.db2.gz	KQVZEZIPDVBIAL-FSSWDIPSSA-N	0	1	429.432	3.954	40	5		IHBBMN
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014186139	557313995	/nfs/dbraw/zinc/31/39/95/557313995.db2.gz	QRMUGENHDULPFJ-UHFFFAOYSA-N	0	1	441.465	3.965	40	5		IHBBMN
Cc1ccc([C@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	ZINC000408606592	555966955	/nfs/dbraw/zinc/96/69/55/555966955.db2.gz	IWAPRCLWLNQCJO-FQEVSTJZSA-N	0	1	445.903	3.921	40	5		IHBBMN
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1	ZINC000408582750	557420596	/nfs/dbraw/zinc/42/05/96/557420596.db2.gz	PWPRYTNHBRENJK-UHFFFAOYSA-N	0	1	443.529	3.920	40	5		IHBBMN
O=C(Nc1cccc(F)c1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000015676028	560094693	/nfs/dbraw/zinc/09/46/93/560094693.db2.gz	DOSRWESMEFTOGF-SFHVURJKSA-N	0	1	449.402	3.839	40	5	biogenic,in-vitro	IHBBMN
O=C([O-])CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000408603186	193972671	/nfs/dbraw/zinc/97/26/71/193972671.db2.gz	BHPMUHCKFGVSIA-IBGZPJMESA-N	0	1	431.876	3.612	40	5		IHBBMN
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000020489146	527256442	/nfs/dbraw/zinc/25/64/42/527256442.db2.gz	SHIFTNAPUOZGJS-UHFFFAOYSA-N	0	1	432.845	3.696	40	5		IHBBMN
O=c1c2cc3c(ccn(C4CCCC4)c3=O)nc2ccn1-c1nnc(C2CCCCC2)[nH]1	ZINC000040399027	556641492	/nfs/dbraw/zinc/64/14/92/556641492.db2.gz	WFRODJWBNFEZPB-UHFFFAOYSA-N	0	1	430.512	3.982	40	5		IHBBMN
O=c1c2cc3c(ccn(C4CCCC4)c3=O)nc2ccn1-c1n[nH]c(C2CCCCC2)n1	ZINC000040399027	556641494	/nfs/dbraw/zinc/64/14/94/556641494.db2.gz	WFRODJWBNFEZPB-UHFFFAOYSA-N	0	1	430.512	3.982	40	5		IHBBMN
COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409051275	556932774	/nfs/dbraw/zinc/93/27/74/556932774.db2.gz	JZYFDSXCRDFHDV-YBEGLDIGSA-N	0	1	434.401	3.563	40	5		IHBBMN
Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014224036	557319165	/nfs/dbraw/zinc/31/91/65/557319165.db2.gz	KXWXQGKGCNMWOT-UHFFFAOYSA-N	0	1	447.494	3.505	40	5		IHBBMN
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408914180	556623576	/nfs/dbraw/zinc/62/35/76/556623576.db2.gz	VYMGXGOWSBRVLX-UHFFFAOYSA-N	0	1	441.465	3.965	40	5		IHBBMN
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000013758116	556728085	/nfs/dbraw/zinc/72/80/85/556728085.db2.gz	KQVZEZIPDVBIAL-FKBYEOEOSA-N	0	1	429.432	3.954	40	5		IHBBMN
COc1ccc(NC(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c([N+](=O)[O-])c1	ZINC000408638832	557423938	/nfs/dbraw/zinc/42/39/38/557423938.db2.gz	TVBXARRZNSWBQF-UHFFFAOYSA-N	0	1	449.876	3.781	40	5		IHBBMN
Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000409383997	556639161	/nfs/dbraw/zinc/63/91/61/556639161.db2.gz	ULBMTQAAIADJDR-UHFFFAOYSA-N	0	1	447.494	3.505	40	5		IHBBMN
CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCN(C)CC3)cc2[N+](=O)[O-])CC1	ZINC000021595685	569391873	/nfs/dbraw/zinc/39/18/73/569391873.db2.gz	FHCVOYVWGMTEAP-UHFFFAOYSA-N	0	1	437.544	3.835	40	5		IHBBMN
O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000003118079	569440487	/nfs/dbraw/zinc/44/04/87/569440487.db2.gz	WZPLRQDZCDQLTK-UHFFFAOYSA-N	0	1	439.482	3.629	40	5		IHBBMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1	ZINC000408582031	557420569	/nfs/dbraw/zinc/42/05/69/557420569.db2.gz	LEYNWWQXQGQSSL-UHFFFAOYSA-N	0	1	443.529	3.920	40	5		IHBBMN
Cn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1cc(Br)ccc1O	ZINC000408609009	557421661	/nfs/dbraw/zinc/42/16/61/557421661.db2.gz	YBCXOMHUUQHEPB-UHFFFAOYSA-N	0	1	435.259	3.822	40	5		IHBBMN
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102737517	557371223	/nfs/dbraw/zinc/37/12/23/557371223.db2.gz	KQVZEZIPDVBIAL-BHIFYINESA-N	0	1	429.432	3.954	40	5		IHBBMN
COc1cccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000018009837	569283765	/nfs/dbraw/zinc/28/37/65/569283765.db2.gz	MOSFIMPGJSYNDM-FKBYEOEOSA-N	0	1	445.431	3.655	40	5		IHBBMN
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000022510170	527256634	/nfs/dbraw/zinc/25/66/34/527256634.db2.gz	NNIUFIPPKXUQEJ-UHFFFAOYSA-N	0	1	432.845	3.696	40	5		IHBBMN
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000958041	562919808	/nfs/dbraw/zinc/91/98/08/562919808.db2.gz	VBYNCCXUONBJID-UHFFFAOYSA-N	0	1	432.845	3.696	40	5		IHBBMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000015437573	568762349	/nfs/dbraw/zinc/76/23/49/568762349.db2.gz	PFMITEGFQSALDR-UHFFFAOYSA-N	0	1	441.465	3.965	40	5		IHBBMN
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c1O	ZINC000409050948	556932856	/nfs/dbraw/zinc/93/28/56/556932856.db2.gz	FEHBTIHKADLRKZ-YVLHZVERSA-N	0	1	448.428	3.954	40	5		IHBBMN
Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc([N+](=O)[O-])cc4)ccc32)cc1	ZINC000223377678	568820218	/nfs/dbraw/zinc/82/02/18/568820218.db2.gz	NCQVKXBHLMDBEP-UHFFFAOYSA-N	0	1	437.477	3.907	40	5		IHBBMN
CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2[N+](=O)[O-])CC1	ZINC000021596116	569391879	/nfs/dbraw/zinc/39/18/79/569391879.db2.gz	XIHMSDHATGYARF-UHFFFAOYSA-N	0	1	437.544	3.835	40	5		IHBBMN
O=c1c2cc3c(ccn(-c4nnc(C5CCCCC5)[nH]4)c3=O)nc2ccn1Cc1ccco1	ZINC000040399035	556641450	/nfs/dbraw/zinc/64/14/50/556641450.db2.gz	XQWZMRXPBWZNPH-UHFFFAOYSA-N	0	1	442.479	3.508	40	5		IHBBMN
O=c1c2cc3c(ccn(-c4n[nH]c(C5CCCCC5)n4)c3=O)nc2ccn1Cc1ccco1	ZINC000040399035	556641451	/nfs/dbraw/zinc/64/14/51/556641451.db2.gz	XQWZMRXPBWZNPH-UHFFFAOYSA-N	0	1	442.479	3.508	40	5		IHBBMN
Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	ZINC000408606594	557421318	/nfs/dbraw/zinc/42/13/18/557421318.db2.gz	IWAPRCLWLNQCJO-HXUWFJFHSA-N	0	1	445.903	3.921	40	5		IHBBMN
O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1F)c1ccccc1F	ZINC000008810715	569290781	/nfs/dbraw/zinc/29/07/81/569290781.db2.gz	SARBIXAYNKZTDC-UHFFFAOYSA-N	0	1	433.392	3.926	40	5		IHBBMN
CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)n1	ZINC000408553583	555871884	/nfs/dbraw/zinc/87/18/84/555871884.db2.gz	AUJNOJATHHCHNT-UHFFFAOYSA-N	0	1	429.458	3.518	40	5		IHBBMN
COc1ccc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)[nH]2)c([N+](=O)[O-])c1	ZINC000408583409	557420600	/nfs/dbraw/zinc/42/06/00/557420600.db2.gz	UIKWPWZPLFACHF-UHFFFAOYSA-N	0	1	443.529	3.920	40	5		IHBBMN
Cn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1cc(Br)ccc1O	ZINC000408602686	557420998	/nfs/dbraw/zinc/42/09/98/557420998.db2.gz	DENBBBIUAGEWBA-UHFFFAOYSA-N	0	1	435.259	3.822	40	5		IHBBMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000015437501	568762359	/nfs/dbraw/zinc/76/23/59/568762359.db2.gz	OGWKELFICGALPR-UHFFFAOYSA-N	0	1	427.438	3.657	40	5		IHBBMN
O=C([O-])CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000408603047	557421028	/nfs/dbraw/zinc/42/10/28/557421028.db2.gz	AKLHPYLBOJISMW-SFHVURJKSA-N	0	1	431.876	3.612	40	5		IHBBMN
O=C([O-])CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000408605762	557421362	/nfs/dbraw/zinc/42/13/62/557421362.db2.gz	GQHRWWKFNIYVGC-IBGZPJMESA-N	0	1	431.876	3.612	40	5		IHBBMN
COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409351975	557079393	/nfs/dbraw/zinc/07/93/93/557079393.db2.gz	XNPRELICGAPEIG-LZYBPNLTSA-N	0	1	448.840	3.882	40	5		IHBBMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000015437615	556527961	/nfs/dbraw/zinc/52/79/61/556527961.db2.gz	IPMITBYHXKOCJK-UHFFFAOYSA-N	0	1	441.465	3.965	40	5		IHBBMN
CCOc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OCC)c3O)N(C)C2=S)cc1	ZINC000409034642	556628339	/nfs/dbraw/zinc/62/83/39/556628339.db2.gz	HVFIMEVQWFAWDM-BOPFTXTBSA-N	0	1	443.481	3.702	40	5		IHBBMN
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000034298079	556818578	/nfs/dbraw/zinc/81/85/78/556818578.db2.gz	DZWGRMNVRLNNKB-UHFFFAOYSA-N	0	1	432.845	3.696	40	5		IHBBMN
Cc1ccc([C@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1	ZINC000408609927	557421686	/nfs/dbraw/zinc/42/16/86/557421686.db2.gz	PLAZGOSDUCHHOW-IBGZPJMESA-N	0	1	445.903	3.921	40	5		IHBBMN
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000019927868	569331931	/nfs/dbraw/zinc/33/19/31/569331931.db2.gz	UBBBJYXROKIWSC-UHFFFAOYSA-N	0	1	434.275	3.873	40	5		IHBBMN
O=C([O-])CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000408603043	557421055	/nfs/dbraw/zinc/42/10/55/557421055.db2.gz	AKLHPYLBOJISMW-GOSISDBHSA-N	0	1	431.876	3.612	40	5		IHBBMN
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])n2)c1	ZINC000019928940	569332159	/nfs/dbraw/zinc/33/21/59/569332159.db2.gz	ANWAWCQZABXEGU-UHFFFAOYSA-N	0	1	443.485	3.745	40	5		IHBBMN
O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3O)c2)o1	ZINC000408600060	555958571	/nfs/dbraw/zinc/95/85/71/555958571.db2.gz	SMORCAVQBWZZKI-UHFFFAOYSA-N	0	1	444.783	3.822	40	5		IHBBMN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000004417295	556822769	/nfs/dbraw/zinc/82/27/69/556822769.db2.gz	ONLXGCZMKLNNRV-UHFFFAOYSA-N	0	1	442.409	3.556	40	5		IHBBMN
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)S1	ZINC000408803133	556859680	/nfs/dbraw/zinc/85/96/80/556859680.db2.gz	LNWULHNKLLEEFO-UHFFFAOYSA-N	0	1	436.853	3.734	40	5		IHBBMN
C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2N1C(=O)c1ccccc1	ZINC000223268763	568790620	/nfs/dbraw/zinc/79/06/20/568790620.db2.gz	ZTMUVRCKLMIFRV-OAHLLOKOSA-N	0	1	437.477	3.987	40	5		IHBBMN
CC(C)CCn1ccc2nc3ccn(-c4nnc(C5CCCCC5)[nH]4)c(=O)c3cc2c1=O	ZINC000040399016	556641156	/nfs/dbraw/zinc/64/11/56/556641156.db2.gz	JHRSLFQXMLNMFF-UHFFFAOYSA-N	0	1	432.528	3.913	40	5		IHBBMN
CC(C)CCn1ccc2nc3ccn(-c4n[nH]c(C5CCCCC5)n4)c(=O)c3cc2c1=O	ZINC000040399016	556641158	/nfs/dbraw/zinc/64/11/58/556641158.db2.gz	JHRSLFQXMLNMFF-UHFFFAOYSA-N	0	1	432.528	3.913	40	5		IHBBMN
COc1cccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101155889	557262442	/nfs/dbraw/zinc/26/24/42/557262442.db2.gz	MOSFIMPGJSYNDM-FSSWDIPSSA-N	0	1	445.431	3.655	40	5		IHBBMN
O=C(CN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O)Nc1ccccc1Cl	ZINC000409220906	557016551	/nfs/dbraw/zinc/01/65/51/557016551.db2.gz	HOBIPSUFKDQMTO-OVCLIPMQSA-N	0	1	433.829	3.629	40	5		IHBBMN
O=C([O-])CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000408605767	557421353	/nfs/dbraw/zinc/42/13/53/557421353.db2.gz	GQHRWWKFNIYVGC-LJQANCHMSA-N	0	1	431.876	3.612	40	5		IHBBMN
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1	ZINC000104168938	557451232	/nfs/dbraw/zinc/45/12/32/557451232.db2.gz	PYLYZXBDFSKPBD-UHFFFAOYSA-N	0	1	437.433	3.872	40	5		IHBBMN
COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c1O	ZINC000106781582	557532447	/nfs/dbraw/zinc/53/24/47/557532447.db2.gz	UTFZGOUZDHUDMQ-YVLHZVERSA-N	0	1	430.438	3.733	40	5		IHBBMN
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000059132888	569459387	/nfs/dbraw/zinc/45/93/87/569459387.db2.gz	QIOVDSPFDIEYLM-UHFFFAOYSA-N	0	1	447.494	3.505	40	5		IHBBMN
COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000106782085	557532364	/nfs/dbraw/zinc/53/23/64/557532364.db2.gz	SAGAHYGEZZGHRZ-BOPFTXTBSA-N	0	1	430.438	3.733	40	5		IHBBMN
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c1O	ZINC000106766821	557532434	/nfs/dbraw/zinc/53/24/34/557532434.db2.gz	SXUKKVNRMYNBRN-BOPFTXTBSA-N	0	1	430.438	3.814	40	5		IHBBMN
CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1	ZINC000408674740	556614527	/nfs/dbraw/zinc/61/45/27/556614527.db2.gz	GVGRDAROXKPVLS-UHFFFAOYSA-N	0	1	431.861	3.967	40	5		IHBBMN
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1cccc([N+](=O)[O-])c1	ZINC000019927874	569332053	/nfs/dbraw/zinc/33/20/53/569332053.db2.gz	HFDQOZCTTRVBMF-UHFFFAOYSA-N	0	1	434.275	3.873	40	5		IHBBMN
Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	ZINC000408608944	193977054	/nfs/dbraw/zinc/97/70/54/193977054.db2.gz	NDTPWJUDNFRWQM-HXUWFJFHSA-N	0	1	445.903	3.921	40	5		IHBBMN
O=C([O-])CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000408603189	557421100	/nfs/dbraw/zinc/42/11/00/557421100.db2.gz	BHPMUHCKFGVSIA-LJQANCHMSA-N	0	1	431.876	3.612	40	5		IHBBMN
Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1	ZINC000408609930	557421631	/nfs/dbraw/zinc/42/16/31/557421631.db2.gz	PLAZGOSDUCHHOW-LJQANCHMSA-N	0	1	445.903	3.921	40	5		IHBBMN
Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000014223998	557433497	/nfs/dbraw/zinc/43/34/97/557433497.db2.gz	VEBOZUNURAMKJA-UHFFFAOYSA-N	0	1	447.494	3.505	40	5		IHBBMN
O=C(NC1CCCCC1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000015676026	560094661	/nfs/dbraw/zinc/09/46/61/560094661.db2.gz	MFTRTVOFRGINMR-SFHVURJKSA-N	0	1	437.460	3.510	40	5	biogenic,in-vitro	IHBBMN
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)c1	ZINC000019928950	569332107	/nfs/dbraw/zinc/33/21/07/569332107.db2.gz	SZQHHDPPZXVGHO-UHFFFAOYSA-N	0	1	449.876	3.781	40	5		IHBBMN
CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409227522	556635597	/nfs/dbraw/zinc/63/55/97/556635597.db2.gz	ZLCVLXHLIRQFJF-YVLHZVERSA-N	0	1	428.422	3.618	40	5		IHBBMN
C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2N1C(=O)c1ccccc1	ZINC000223268822	568790501	/nfs/dbraw/zinc/79/05/01/568790501.db2.gz	ZTMUVRCKLMIFRV-HNNXBMFYSA-N	0	1	437.477	3.987	40	5		IHBBMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000015437367	556527552	/nfs/dbraw/zinc/52/75/52/556527552.db2.gz	JUWDBYOGTSORCJ-UHFFFAOYSA-N	0	1	441.465	3.965	40	5		IHBBMN
CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)n1	ZINC000408583083	557420545	/nfs/dbraw/zinc/42/05/45/557420545.db2.gz	RKALHVLMPHOFRV-UHFFFAOYSA-N	0	1	429.458	3.518	40	5		IHBBMN
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000022529405	527256525	/nfs/dbraw/zinc/25/65/25/527256525.db2.gz	QAMQZFBTMXBCFZ-UHFFFAOYSA-N	0	1	432.845	3.696	40	5		IHBBMN
Cc1ccc([C@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	ZINC000408608942	557421651	/nfs/dbraw/zinc/42/16/51/557421651.db2.gz	NDTPWJUDNFRWQM-FQEVSTJZSA-N	0	1	445.903	3.921	40	5		IHBBMN
COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1	ZINC000408639435	557423884	/nfs/dbraw/zinc/42/38/84/557423884.db2.gz	WVPSHSBQCZVLNH-UHFFFAOYSA-N	0	1	449.876	3.781	40	5		IHBBMN
O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1F)c1ccc(F)cc1	ZINC000008810880	569290785	/nfs/dbraw/zinc/29/07/85/569290785.db2.gz	GHCMDTKMNWIZHQ-UHFFFAOYSA-N	0	1	433.392	3.926	40	5		IHBBMN
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000059132415	557815054	/nfs/dbraw/zinc/81/50/54/557815054.db2.gz	XQEPLEMZWUMIBU-UHFFFAOYSA-N	0	1	447.494	3.505	40	5		IHBBMN