smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035105164	525593078	/nfs/dbraw/zinc/59/30/78/525593078.db2.gz	ICBKIPGVFKUTRG-CROMWVBPSA-N	1	1	448.435	2.035	50	5		IEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035105164	525593081	/nfs/dbraw/zinc/59/30/81/525593081.db2.gz	ICBKIPGVFKUTRG-CROMWVBPSA-N	1	1	448.435	2.035	50	5		IEBAMO
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CC[NH+](CCO)CC1	ZINC000033014457	556664685	/nfs/dbraw/zinc/66/46/85/556664685.db2.gz	GBOADLPTAKGWHN-UHFFFAOYSA-N	1	1	440.909	2.163	50	5		IEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccccc21	ZINC000013786953	556731509	/nfs/dbraw/zinc/73/15/09/556731509.db2.gz	SFXPWAIGSAOZJV-QPXQOZNCSA-N	1	1	432.436	2.334	50	5		IEBAMO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000052533857	568658471	/nfs/dbraw/zinc/65/84/71/568658471.db2.gz	NCVPMVROJCJXLT-GOSISDBHSA-N	1	1	427.417	2.415	50	5		IEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccccc21	ZINC000015999146	568862293	/nfs/dbraw/zinc/86/22/93/568862293.db2.gz	SFXPWAIGSAOZJV-YWNPBTLJSA-N	1	1	432.436	2.334	50	5		IEBAMO
CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c([N+](=O)[O-])cc2F)CC1	ZINC000016293694	568875523	/nfs/dbraw/zinc/87/55/23/568875523.db2.gz	WMSMNCOLMMPLLR-UHFFFAOYSA-N	1	1	431.468	2.431	50	5		IEBAMO
CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1	ZINC000012606361	521667869	/nfs/dbraw/zinc/66/78/69/521667869.db2.gz	QUKPLRSXNJQKEO-HNNXBMFYSA-N	1	1	443.470	2.288	50	5		IEBAMO
Cn1c(CC[NH+]2CCOCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000020519424	527049144	/nfs/dbraw/zinc/04/91/44/527049144.db2.gz	YEQWMULOBRHPMP-UHFFFAOYSA-N	1	1	439.472	2.374	50	5		IEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248121680	556666526	/nfs/dbraw/zinc/66/65/26/556666526.db2.gz	SFXPWAIGSAOZJV-RTXPOLOASA-N	1	1	432.436	2.334	50	5		IEBAMO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000110569559	557514584	/nfs/dbraw/zinc/51/45/84/557514584.db2.gz	ZGTUNOKDHKFLPU-IRXDYDNUSA-N	1	1	438.550	2.435	50	5		IEBAMO
Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1	ZINC000015838392	568844427	/nfs/dbraw/zinc/84/44/27/568844427.db2.gz	CTINYZNRRFIDPY-UHFFFAOYSA-N	1	1	446.533	2.194	50	5		IEBAMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000015997081	568861901	/nfs/dbraw/zinc/86/19/01/568861901.db2.gz	HHQCQRRWVWWAQL-CMCWBKRRSA-N	1	1	446.463	2.440	50	5		IEBAMO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000169677316	568989651	/nfs/dbraw/zinc/98/96/51/568989651.db2.gz	SPFKPGFPNVUMSN-GGAORHGYSA-N	1	1	436.512	2.317	50	5		IEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1	ZINC000036311766	568998348	/nfs/dbraw/zinc/99/83/48/568998348.db2.gz	WUUBSLFGDOAHAQ-WMZHIEFXSA-N	1	1	449.467	2.377	50	5		IEBAMO
CN(C)c1cc(F)c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-]	ZINC000253421596	569267111	/nfs/dbraw/zinc/26/71/11/569267111.db2.gz	YNTNRRYFXCQTIL-APWZRJJASA-N	1	1	430.480	2.413	50	5		IEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccccc32)cc1[N+](=O)[O-]	ZINC000020391839	569363267	/nfs/dbraw/zinc/36/32/67/569363267.db2.gz	ALIWSXFLFIJKHK-QYUDBREXSA-N	1	1	432.436	2.334	50	5		IEBAMO
CCOc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000096006242	569379061	/nfs/dbraw/zinc/37/90/61/569379061.db2.gz	ZNCADYDJTPAMNU-FQEVSTJZSA-N	1	1	438.484	2.443	50	5		IEBAMO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000058434885	569454745	/nfs/dbraw/zinc/45/47/45/569454745.db2.gz	ZGTUNOKDHKFLPU-IAGOWNOFSA-N	1	1	438.550	2.435	50	5		IEBAMO
O=C(OC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000068885895	569482440	/nfs/dbraw/zinc/48/24/40/569482440.db2.gz	BUEUZWAXSDFWOO-HXUWFJFHSA-N	1	1	441.484	2.489	50	5		IEBAMO
O=C(OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000068885895	569482441	/nfs/dbraw/zinc/48/24/41/569482441.db2.gz	BUEUZWAXSDFWOO-HXUWFJFHSA-N	1	1	441.484	2.489	50	5		IEBAMO
C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)[C@H](c2ccccc2)C1	ZINC000009586915	132322416	/nfs/dbraw/zinc/32/24/16/132322416.db2.gz	FCDLFFWXCLOKND-FQEVSTJZSA-N	1	1	446.529	2.109	50	5		IEBAMO
C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)[C@H](c2ccccc2)C1	ZINC000009586915	132322417	/nfs/dbraw/zinc/32/24/17/132322417.db2.gz	FCDLFFWXCLOKND-FQEVSTJZSA-N	1	1	446.529	2.109	50	5		IEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000247940150	556646179	/nfs/dbraw/zinc/64/61/79/556646179.db2.gz	ICBKIPGVFKUTRG-GKAYAJSDSA-N	1	1	448.435	2.035	50	5		IEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000247940150	556646182	/nfs/dbraw/zinc/64/61/82/556646182.db2.gz	ICBKIPGVFKUTRG-GKAYAJSDSA-N	1	1	448.435	2.035	50	5		IEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000247971028	556650924	/nfs/dbraw/zinc/65/09/24/556650924.db2.gz	ALIWSXFLFIJKHK-YIKPNSEUSA-N	1	1	432.436	2.334	50	5		IEBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248339910	556681331	/nfs/dbraw/zinc/68/13/31/556681331.db2.gz	UFMJJDKSOFHMOC-GKAYAJSDSA-N	1	1	432.436	2.334	50	5		IEBAMO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000008925722	562966142	/nfs/dbraw/zinc/96/61/42/562966142.db2.gz	OPDDWGLLAKNNEI-IBGZPJMESA-N	1	1	440.456	2.231	50	5		IEBAMO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000052533859	568658656	/nfs/dbraw/zinc/65/86/56/568658656.db2.gz	NCVPMVROJCJXLT-SFHVURJKSA-N	1	1	427.417	2.415	50	5		IEBAMO
C[NH+]1CCN(c2nc3c(c(N4CCCC4)n2)CN(Cc2cccc([N+](=O)[O-])c2)CC3)CC1	ZINC000034755407	568737948	/nfs/dbraw/zinc/73/79/48/568737948.db2.gz	DGPQPAVUXWJJTP-UHFFFAOYSA-N	1	1	437.548	2.295	50	5		IEBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccccc21	ZINC000016038695	568868380	/nfs/dbraw/zinc/86/83/80/568868380.db2.gz	ZVKMTAKXNRSMST-HZNUMKHLSA-N	1	1	448.435	2.035	50	5		IEBAMO
C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	ZINC000013076094	569308746	/nfs/dbraw/zinc/30/87/46/569308746.db2.gz	YTPLCPGQHCWEJP-IXDOHACOSA-N	1	1	441.550	2.097	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000227213670	569431854	/nfs/dbraw/zinc/43/18/54/569431854.db2.gz	GJLVQDBLKIAINU-SUWCGCSTSA-N	1	1	436.399	2.165	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000227213670	569431856	/nfs/dbraw/zinc/43/18/56/569431856.db2.gz	GJLVQDBLKIAINU-SUWCGCSTSA-N	1	1	436.399	2.165	50	5		IEBAMO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035870384	523920423	/nfs/dbraw/zinc/92/04/23/523920423.db2.gz	OCHLMQVOJZBYNG-RBBKRZOGSA-N	1	1	442.491	2.360	50	5		IEBAMO
C[C@@H]1CCCC[N@H+]1CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000035279091	524107206	/nfs/dbraw/zinc/10/72/06/524107206.db2.gz	ZRZODTBFVZBPTB-QGZVFWFLSA-N	1	1	439.582	2.207	50	5		IEBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035829963	526213544	/nfs/dbraw/zinc/21/35/44/526213544.db2.gz	UFMJJDKSOFHMOC-CROMWVBPSA-N	1	1	432.436	2.334	50	5		IEBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000035870892	526569136	/nfs/dbraw/zinc/56/91/36/526569136.db2.gz	SPFKPGFPNVUMSN-GMAHTHKFSA-N	1	1	436.512	2.317	50	5		IEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000247940153	556648554	/nfs/dbraw/zinc/64/85/54/556648554.db2.gz	ICBKIPGVFKUTRG-KEXUJGGDSA-N	1	1	448.435	2.035	50	5		IEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000247940153	556648558	/nfs/dbraw/zinc/64/85/58/556648558.db2.gz	ICBKIPGVFKUTRG-KEXUJGGDSA-N	1	1	448.435	2.035	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000016001059	568862047	/nfs/dbraw/zinc/86/20/47/568862047.db2.gz	BCCDAKKSTLWCDS-RQXXJAGISA-N	1	1	436.399	2.165	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000016001059	568862048	/nfs/dbraw/zinc/86/20/48/568862048.db2.gz	BCCDAKKSTLWCDS-RQXXJAGISA-N	1	1	436.399	2.165	50	5		IEBAMO
O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12	ZINC000035894861	526518297	/nfs/dbraw/zinc/51/82/97/526518297.db2.gz	GZWSQYUSRHVIJX-VWPQPMDRSA-N	1	1	428.533	2.496	50	5		IEBAMO
O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000012527618	526745484	/nfs/dbraw/zinc/74/54/84/526745484.db2.gz	ZUGFLNPFQYZDRQ-UHFFFAOYSA-N	1	1	437.544	2.451	50	5		IEBAMO
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000012888405	527619109	/nfs/dbraw/zinc/61/91/09/527619109.db2.gz	RMXBIHFQWCZDLQ-RMKNXTFCSA-N	1	1	431.489	2.303	50	5		IEBAMO
Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH+]1	ZINC000015671288	568802673	/nfs/dbraw/zinc/80/26/73/568802673.db2.gz	WHRLTQWKDKJUJX-UHFFFAOYSA-N	1	1	446.533	2.194	50	5		IEBAMO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681841	568992637	/nfs/dbraw/zinc/99/26/37/568992637.db2.gz	OCHLMQVOJZBYNG-UNMCSNQZSA-N	1	1	442.491	2.360	50	5		IEBAMO
O=C1Nc2cc([N+](=O)[O-])ccc2O[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000052530437	193926546	/nfs/dbraw/zinc/92/65/46/193926546.db2.gz	BEGNFPMSHJMALC-IBGZPJMESA-N	1	1	427.417	2.415	50	5		IEBAMO
COc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c([N+](=O)[O-])c(OC)c1OC	ZINC000022462530	522105471	/nfs/dbraw/zinc/10/54/71/522105471.db2.gz	NVGIDCRPUGUNIA-UHFFFAOYSA-N	1	1	437.493	2.386	50	5		IEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248131478	556668495	/nfs/dbraw/zinc/66/84/95/556668495.db2.gz	LBRNRVVTGCJPNW-OSJYTEGDSA-N	1	1	448.435	2.035	50	5		IEBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248339913	556681349	/nfs/dbraw/zinc/68/13/49/556681349.db2.gz	UFMJJDKSOFHMOC-KEXUJGGDSA-N	1	1	432.436	2.334	50	5		IEBAMO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000110569561	557514547	/nfs/dbraw/zinc/51/45/47/557514547.db2.gz	ZGTUNOKDHKFLPU-DLBZAZTESA-N	1	1	438.550	2.435	50	5		IEBAMO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681840	568992555	/nfs/dbraw/zinc/99/25/55/568992555.db2.gz	OCHLMQVOJZBYNG-IRLDBZIGSA-N	1	1	442.491	2.360	50	5		IEBAMO
Cc1nn(C)c(N2CC[NH+](CCCOc3ccc4ccc(=O)oc4c3)CC2)c1[N+](=O)[O-]	ZINC000096028212	569380962	/nfs/dbraw/zinc/38/09/62/569380962.db2.gz	NCQBQRXXKOVITD-UHFFFAOYSA-N	1	1	427.461	2.334	50	5		IEBAMO
C[C@H]1CCCC[N@H+]1CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000035279095	526248601	/nfs/dbraw/zinc/24/86/01/526248601.db2.gz	ZRZODTBFVZBPTB-KRWDZBQOSA-N	1	1	439.582	2.207	50	5		IEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248104962	556662965	/nfs/dbraw/zinc/66/29/65/556662965.db2.gz	LBMAHEZVNQZSEB-LVBDUCALSA-N	1	1	432.436	2.334	50	5		IEBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000103507546	557438045	/nfs/dbraw/zinc/43/80/45/557438045.db2.gz	HHQCQRRWVWWAQL-FDGPYGQJSA-N	1	1	446.463	2.440	50	5		IEBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12)N1CCOCC1	ZINC000104915318	557465190	/nfs/dbraw/zinc/46/51/90/557465190.db2.gz	SPFKPGFPNVUMSN-JTHBVZDNSA-N	1	1	436.512	2.317	50	5		IEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1	ZINC000017027554	569171005	/nfs/dbraw/zinc/17/10/05/569171005.db2.gz	WUUBSLFGDOAHAQ-CVDCTZTESA-N	1	1	449.467	2.377	50	5		IEBAMO
CN(C)c1cc(F)c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-]	ZINC000253421598	569267044	/nfs/dbraw/zinc/26/70/44/569267044.db2.gz	YNTNRRYFXCQTIL-LPHOPBHVSA-N	1	1	430.480	2.413	50	5		IEBAMO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035870383	523914725	/nfs/dbraw/zinc/91/47/25/523914725.db2.gz	OCHLMQVOJZBYNG-IFMALSPDSA-N	1	1	442.491	2.360	50	5		IEBAMO
O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12	ZINC000035894859	526519880	/nfs/dbraw/zinc/51/98/80/526519880.db2.gz	GZWSQYUSRHVIJX-ONTIZHBOSA-N	1	1	428.533	2.496	50	5		IEBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015989630	556571523	/nfs/dbraw/zinc/57/15/23/556571523.db2.gz	UFMJJDKSOFHMOC-QPXQOZNCSA-N	1	1	432.436	2.334	50	5		IEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000247971023	556650994	/nfs/dbraw/zinc/65/09/94/556650994.db2.gz	ALIWSXFLFIJKHK-OSJYTEGDSA-N	1	1	432.436	2.334	50	5		IEBAMO
CCOC(=O)c1cc(C(=O)NCc2ccc(N3CCC[N@@H+](C)CC3)nc2)cc([N+](=O)[O-])c1	ZINC000048326570	557069185	/nfs/dbraw/zinc/06/91/85/557069185.db2.gz	JBQVJYBPRSOWEJ-UHFFFAOYSA-N	1	1	441.488	2.238	50	5		IEBAMO
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1[N+](=O)[O-]	ZINC000015671257	568802333	/nfs/dbraw/zinc/80/23/33/568802333.db2.gz	WYEHDPKZKTXBKK-UHFFFAOYSA-N	1	1	446.533	2.113	50	5		IEBAMO
O=[N+]([O-])c1ccc(NCCNc2nc(N3CC[NH+](CCO)CC3)nc3ccccc32)cc1	ZINC000096439034	569400586	/nfs/dbraw/zinc/40/05/86/569400586.db2.gz	UZLCWIUNZVOWPJ-UHFFFAOYSA-N	1	1	437.504	2.176	50	5		IEBAMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000012545364	525144199	/nfs/dbraw/zinc/14/41/99/525144199.db2.gz	VSPFWPXZQGSKDR-UHFFFAOYSA-N	1	1	437.544	2.370	50	5		IEBAMO
Cc1csc(Sc2ccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2[N+](=O)[O-])n1	ZINC000032908377	556564824	/nfs/dbraw/zinc/56/48/24/556564824.db2.gz	GTBGLKMKISCGBT-UHFFFAOYSA-N	1	1	435.531	2.190	50	5		IEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248104970	556662934	/nfs/dbraw/zinc/66/29/34/556662934.db2.gz	LBMAHEZVNQZSEB-RTXPOLOASA-N	1	1	432.436	2.334	50	5		IEBAMO
CCN1CC[NH+](Cc2ccc(CNc3ccc(S(=O)(=O)NC)cc3[N+](=O)[O-])cc2)CC1	ZINC000032932655	556675826	/nfs/dbraw/zinc/67/58/26/556675826.db2.gz	DYSOWUAHHYXKBK-UHFFFAOYSA-N	1	1	447.561	2.253	50	5		IEBAMO
Cc1[nH+]ccn1-c1cc(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccn1	ZINC000048304289	557059273	/nfs/dbraw/zinc/05/92/73/557059273.db2.gz	QNGUKIGQNGFRES-UHFFFAOYSA-N	1	1	436.428	2.488	50	5		IEBAMO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000012958753	562983696	/nfs/dbraw/zinc/98/36/96/562983696.db2.gz	OPDDWGLLAKNNEI-LJQANCHMSA-N	1	1	440.456	2.231	50	5		IEBAMO
O=C1Nc2cc([N+](=O)[O-])ccc2O[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000052530435	568658526	/nfs/dbraw/zinc/65/85/26/568658526.db2.gz	BEGNFPMSHJMALC-LJQANCHMSA-N	1	1	427.417	2.415	50	5		IEBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12	ZINC000249687190	569155416	/nfs/dbraw/zinc/15/54/16/569155416.db2.gz	HHQCQRRWVWWAQL-XHOYROJHSA-N	1	1	446.463	2.440	50	5		IEBAMO
CCOc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000018266188	569316185	/nfs/dbraw/zinc/31/61/85/569316185.db2.gz	ZNCADYDJTPAMNU-HXUWFJFHSA-N	1	1	438.484	2.443	50	5		IEBAMO
COc1ccccc1-n1ccc2nc3ccn(CCC[NH+]4CCOCC4)c(=O)c3cc2c1=O	ZINC000038829198	556620754	/nfs/dbraw/zinc/62/07/54/556620754.db2.gz	VAZADVYYOBXBML-UHFFFAOYSA-N	1	1	446.507	2.432	50	5		IEBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@H]1CCC[N@H+]12	ZINC000249687193	568902560	/nfs/dbraw/zinc/90/25/60/568902560.db2.gz	HHQCQRRWVWWAQL-XUJKJYMVSA-N	1	1	446.463	2.440	50	5		IEBAMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000078743358	569318852	/nfs/dbraw/zinc/31/88/52/569318852.db2.gz	UGJYHVVZVKVFJR-LJQANCHMSA-N	1	1	434.456	2.483	50	5		IEBAMO
NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000078743358	569318853	/nfs/dbraw/zinc/31/88/53/569318853.db2.gz	UGJYHVVZVKVFJR-LJQANCHMSA-N	1	1	434.456	2.483	50	5		IEBAMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000078743367	569318871	/nfs/dbraw/zinc/31/88/71/569318871.db2.gz	UGJYHVVZVKVFJR-IBGZPJMESA-N	1	1	434.456	2.483	50	5		IEBAMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000078743367	569318872	/nfs/dbraw/zinc/31/88/72/569318872.db2.gz	UGJYHVVZVKVFJR-IBGZPJMESA-N	1	1	434.456	2.483	50	5		IEBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248156983	556669502	/nfs/dbraw/zinc/66/95/02/556669502.db2.gz	ZVKMTAKXNRSMST-LONFEIEESA-N	1	1	448.435	2.035	50	5		IEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015998999	568862060	/nfs/dbraw/zinc/86/20/60/568862060.db2.gz	ICBKIPGVFKUTRG-QPXQOZNCSA-N	1	1	448.435	2.035	50	5		IEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015998999	568862061	/nfs/dbraw/zinc/86/20/61/568862061.db2.gz	ICBKIPGVFKUTRG-QPXQOZNCSA-N	1	1	448.435	2.035	50	5		IEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccccc32)cc1[N+](=O)[O-]	ZINC000015996176	568862088	/nfs/dbraw/zinc/86/20/88/568862088.db2.gz	ALIWSXFLFIJKHK-FAODYONGSA-N	1	1	432.436	2.334	50	5		IEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccccc21	ZINC000016038707	568868442	/nfs/dbraw/zinc/86/84/42/568868442.db2.gz	LBMAHEZVNQZSEB-YWNPBTLJSA-N	1	1	432.436	2.334	50	5		IEBAMO
CN(C)c1cc(F)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-]	ZINC000253421600	569267069	/nfs/dbraw/zinc/26/70/69/569267069.db2.gz	YNTNRRYFXCQTIL-QFBILLFUSA-N	1	1	430.480	2.413	50	5		IEBAMO
C[NH+]1CCN(c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1	ZINC000012416762	523924288	/nfs/dbraw/zinc/92/42/88/523924288.db2.gz	WVMYNVFPXBSIDF-UHFFFAOYSA-N	1	1	441.507	2.377	50	5		IEBAMO
O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12	ZINC000035894857	526518813	/nfs/dbraw/zinc/51/88/13/526518813.db2.gz	GZWSQYUSRHVIJX-TUNNFDKTSA-N	1	1	428.533	2.496	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000138080933	568929654	/nfs/dbraw/zinc/92/96/54/568929654.db2.gz	BCCDAKKSTLWCDS-KCXPTXFHSA-N	1	1	436.399	2.165	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000138080933	568929656	/nfs/dbraw/zinc/92/96/56/568929656.db2.gz	BCCDAKKSTLWCDS-KCXPTXFHSA-N	1	1	436.399	2.165	50	5		IEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248131482	556668487	/nfs/dbraw/zinc/66/84/87/556668487.db2.gz	LBRNRVVTGCJPNW-YIKPNSEUSA-N	1	1	448.435	2.035	50	5		IEBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248156981	556669849	/nfs/dbraw/zinc/66/98/49/556669849.db2.gz	ZVKMTAKXNRSMST-LEWJJULVSA-N	1	1	448.435	2.035	50	5		IEBAMO
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c1C	ZINC000032932853	556676184	/nfs/dbraw/zinc/67/61/84/556676184.db2.gz	YWTXCOLZBGOAHV-UHFFFAOYSA-N	1	1	432.546	2.438	50	5		IEBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000138057367	568928171	/nfs/dbraw/zinc/92/81/71/568928171.db2.gz	HHQCQRRWVWWAQL-VKDGWMQASA-N	1	1	446.463	2.440	50	5		IEBAMO
CN(C)c1cc(F)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-]	ZINC000253421603	569267134	/nfs/dbraw/zinc/26/71/34/569267134.db2.gz	YNTNRRYFXCQTIL-VQIMIIECSA-N	1	1	430.480	2.413	50	5		IEBAMO
C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)[C@@H](c2ccccc2)C1	ZINC000013148597	569311997	/nfs/dbraw/zinc/31/19/97/569311997.db2.gz	FCDLFFWXCLOKND-HXUWFJFHSA-N	1	1	446.529	2.109	50	5		IEBAMO
C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)[C@@H](c2ccccc2)C1	ZINC000013148597	569311999	/nfs/dbraw/zinc/31/19/99/569311999.db2.gz	FCDLFFWXCLOKND-HXUWFJFHSA-N	1	1	446.529	2.109	50	5		IEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccccc21	ZINC000020463683	522975421	/nfs/dbraw/zinc/97/54/21/522975421.db2.gz	LBRNRVVTGCJPNW-QYUDBREXSA-N	1	1	448.435	2.035	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000016000530	568862072	/nfs/dbraw/zinc/86/20/72/568862072.db2.gz	GJLVQDBLKIAINU-FBAVSBLXSA-N	1	1	436.399	2.165	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000016000530	568862073	/nfs/dbraw/zinc/86/20/73/568862073.db2.gz	GJLVQDBLKIAINU-FBAVSBLXSA-N	1	1	436.399	2.165	50	5		IEBAMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)cc1F	ZINC000078821861	569319314	/nfs/dbraw/zinc/31/93/14/569319314.db2.gz	GMTKJMNREZZMJV-UHFFFAOYSA-N	1	1	447.448	2.114	50	5		IEBAMO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000058434887	569454736	/nfs/dbraw/zinc/45/47/36/569454736.db2.gz	ZGTUNOKDHKFLPU-SJORKVTESA-N	1	1	438.550	2.435	50	5		IEBAMO
C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2[N+](=O)[O-])CC1	ZINC000009546105	132321235	/nfs/dbraw/zinc/32/12/35/132321235.db2.gz	JXUYJRCXOGXEFT-UHFFFAOYSA-N	1	1	448.501	2.309	50	5		IEBAMO
CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1	ZINC000012606359	521666366	/nfs/dbraw/zinc/66/63/66/521666366.db2.gz	QUKPLRSXNJQKEO-OAHLLOKOSA-N	1	1	443.470	2.288	50	5		IEBAMO
O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12	ZINC000035894855	526520750	/nfs/dbraw/zinc/52/07/50/526520750.db2.gz	GZWSQYUSRHVIJX-JAXLGGSGSA-N	1	1	428.533	2.496	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229865786	556191005	/nfs/dbraw/zinc/19/10/05/556191005.db2.gz	BCCDAKKSTLWCDS-SUWCGCSTSA-N	1	1	436.399	2.165	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000229865786	556191006	/nfs/dbraw/zinc/19/10/06/556191006.db2.gz	BCCDAKKSTLWCDS-SUWCGCSTSA-N	1	1	436.399	2.165	50	5		IEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248121678	556666014	/nfs/dbraw/zinc/66/60/14/556666014.db2.gz	SFXPWAIGSAOZJV-LVBDUCALSA-N	1	1	432.436	2.334	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000101189216	557263072	/nfs/dbraw/zinc/26/30/72/557263072.db2.gz	GJLVQDBLKIAINU-RQXXJAGISA-N	1	1	436.399	2.165	50	5		IEBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000101189216	557263075	/nfs/dbraw/zinc/26/30/75/557263075.db2.gz	GJLVQDBLKIAINU-RQXXJAGISA-N	1	1	436.399	2.165	50	5		IEBAMO
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