smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1	ZINC000048287760	518287817	/nfs/dbraw/zinc/28/78/17/518287817.db2.gz	KHUXXUUQFZXKPT-UHFFFAOYSA-N	1	2	426.542	2.304	50	30		IEEALO
Cc1noc(C)c1COc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1	ZINC000058291329	526521740	/nfs/dbraw/zinc/52/17/40/526521740.db2.gz	VODIPCPDVJFHLY-UHFFFAOYSA-N	1	2	426.517	2.487	50	30		IEEALO
NC(=[NH2+])NN=C1C(=O)N(C2CCCCCCC2)C(=O)[C@H]1C(=O)NC1CCCCCCC1	ZINC000005494841	556056507	/nfs/dbraw/zinc/05/65/07/556056507.db2.gz	SAGABTFLQRFBNN-XUOUEFSESA-N	1	2	432.569	2.152	50	30		IEEALO
CCN(CC)c1ccc(C=[NH+]Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	ZINC000008398812	556165135	/nfs/dbraw/zinc/16/51/35/556165135.db2.gz	GVINHNIBLFZRNB-HKOYGPOVSA-N	1	2	439.564	2.442	50	30		IEEALO
C[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[NH+](CC(=O)NC(C)(C)C)CC3)sc2C1	ZINC000032539328	556215249	/nfs/dbraw/zinc/21/52/49/556215249.db2.gz	UKSIYZRFTPJOBJ-HNNXBMFYSA-N	1	2	431.606	2.215	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccn2)c1	ZINC000008860060	556228117	/nfs/dbraw/zinc/22/81/17/556228117.db2.gz	SZHVXHXIIDJPND-NRFANRHFSA-N	1	2	437.496	2.391	50	30		IEEALO
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147371	557138950	/nfs/dbraw/zinc/13/89/50/557138950.db2.gz	QIZDHIJZMXIWPK-RUZDIDTESA-N	1	2	449.507	2.356	50	30		IEEALO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147371	557138951	/nfs/dbraw/zinc/13/89/51/557138951.db2.gz	QIZDHIJZMXIWPK-RUZDIDTESA-N	1	2	449.507	2.356	50	30		IEEALO
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000102530872	557343181	/nfs/dbraw/zinc/34/31/81/557343181.db2.gz	SWZBATZAGANGFU-YDJIHCHBSA-N	1	2	426.469	2.432	50	30		IEEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1)c1ccncc1	ZINC000102882606	557408510	/nfs/dbraw/zinc/40/85/10/557408510.db2.gz	ZWTSGWGUBRXJQX-YDJIHCHBSA-N	1	2	425.460	2.365	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)c1	ZINC000102931944	557413052	/nfs/dbraw/zinc/41/30/52/557413052.db2.gz	XQYXANHVZBFSPN-JBCNATCCSA-N	1	2	437.496	2.234	50	30		IEEALO
Cc1ccc(S(=O)(=O)NC2=C(N3CC[NH+](C)CC3)C(=O)c3ccccc3C2=O)cc1	ZINC000104254333	557453719	/nfs/dbraw/zinc/45/37/19/557453719.db2.gz	ALCNBCPGLYHWEN-NMWGTECJSA-N	1	2	425.510	2.495	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)c1	ZINC000008666057	562960432	/nfs/dbraw/zinc/96/04/32/562960432.db2.gz	YBMABPQXZVNTTH-NRFANRHFSA-N	1	2	437.496	2.391	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006445818	569178391	/nfs/dbraw/zinc/17/83/91/569178391.db2.gz	VMNHGYBYMCLAMO-LJQANCHMSA-N	1	2	441.440	2.488	50	30		IEEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccnc1)c1ccc(F)cc1	ZINC000008836222	569478049	/nfs/dbraw/zinc/47/80/49/569478049.db2.gz	ONFWRAKJUXXFLK-YDJIHCHBSA-N	1	2	425.460	2.365	50	30		IEEALO
C=CC[NH+]1CCN(CC2=NC(=O)N[C@H](c3ccccc3OCC)C2C(=O)OCC)CC1	ZINC000067286868	518866531	/nfs/dbraw/zinc/86/65/31/518866531.db2.gz	LSTVNCLGXUNTBR-OAQYLSRUSA-N	1	2	428.533	2.060	50	30		IEEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)s1	ZINC000008859479	556227980	/nfs/dbraw/zinc/22/79/80/556227980.db2.gz	IUOQHBGDSZVISV-GOSISDBHSA-N	1	2	442.541	2.456	50	30		IEEALO
COC(=O)c1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(F)cc2)cc1	ZINC000046134893	557041585	/nfs/dbraw/zinc/04/15/85/557041585.db2.gz	CLGHPSJEAZWBAS-UHFFFAOYSA-N	1	2	428.464	2.142	50	30		IEEALO
CCOc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc3c(c2)OCO3)cc1	ZINC000046140699	557042015	/nfs/dbraw/zinc/04/20/15/557042015.db2.gz	CVMQMZMZOYWXEX-UHFFFAOYSA-N	1	2	440.500	2.344	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccn2)c1	ZINC000102707253	557367332	/nfs/dbraw/zinc/36/73/32/557367332.db2.gz	KNMSHEPRTPTVOO-JBCNATCCSA-N	1	2	437.496	2.234	50	30		IEEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)c(C)n1	ZINC000102737827	557379827	/nfs/dbraw/zinc/37/98/27/557379827.db2.gz	SWMZPPRDSQFSDB-MRJHHRETSA-N	1	2	436.512	2.237	50	30		IEEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1	ZINC000102738671	557380301	/nfs/dbraw/zinc/38/03/01/557380301.db2.gz	VYVSYGUCFFQLNG-WOOAAIBNSA-N	1	2	444.557	2.242	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)c1	ZINC000102861839	557402198	/nfs/dbraw/zinc/40/21/98/557402198.db2.gz	HADGZAKNKJHDMS-MRJHHRETSA-N	1	2	437.496	2.234	50	30		IEEALO
C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000170596486	569142124	/nfs/dbraw/zinc/14/21/24/569142124.db2.gz	OASLXNHZWNKAPN-KRWDZBQOSA-N	1	2	438.553	2.345	50	30		IEEALO
C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000170596486	569142126	/nfs/dbraw/zinc/14/21/26/569142126.db2.gz	OASLXNHZWNKAPN-KRWDZBQOSA-N	1	2	438.553	2.345	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)c1	ZINC000008858550	569479895	/nfs/dbraw/zinc/47/98/95/569479895.db2.gz	JTNUEYQYCQSQGC-NRFANRHFSA-N	1	2	437.496	2.391	50	30		IEEALO
C=CCNC(=O)NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1	ZINC000008881479	569482863	/nfs/dbraw/zinc/48/28/63/569482863.db2.gz	ZZZBWBJUTMLVEL-UHFFFAOYSA-N	1	2	428.562	2.416	50	30		IEEALO
CCOc1ccccc1N1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000058448434	521516806	/nfs/dbraw/zinc/51/68/06/521516806.db2.gz	VVPRNUBLKGEKHW-UHFFFAOYSA-N	1	2	446.573	2.054	50	30		IEEALO
CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)o1	ZINC000058439383	521979338	/nfs/dbraw/zinc/97/93/38/521979338.db2.gz	WWWUBWJSPRJNEL-UHFFFAOYSA-N	1	2	430.486	2.341	50	30		IEEALO
C=C[C@](C)(CO)[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000034691568	555804704	/nfs/dbraw/zinc/80/47/04/555804704.db2.gz	QDAZPQLCVQVLPE-UYAOXDASSA-N	1	2	430.467	2.432	50	30		IEEALO
C=C[C@](C)(CO)[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000034691568	555804705	/nfs/dbraw/zinc/80/47/05/555804705.db2.gz	QDAZPQLCVQVLPE-UYAOXDASSA-N	1	2	430.467	2.432	50	30		IEEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccn1)c1ccc(F)cc1	ZINC000008740870	556206667	/nfs/dbraw/zinc/20/66/67/556206667.db2.gz	ZQGMLLVMRUONCE-YDJIHCHBSA-N	1	2	425.460	2.365	50	30		IEEALO
C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[NH+](CC(=O)NC(C)(C)C)CC3)sc2C1	ZINC000032539327	556215339	/nfs/dbraw/zinc/21/53/39/556215339.db2.gz	UKSIYZRFTPJOBJ-OAHLLOKOSA-N	1	2	431.606	2.215	50	30		IEEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)s1	ZINC000008836077	556225812	/nfs/dbraw/zinc/22/58/12/556225812.db2.gz	TWBNJJZRJULOOC-SFHVURJKSA-N	1	2	442.541	2.456	50	30		IEEALO
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147374	557138908	/nfs/dbraw/zinc/13/89/08/557138908.db2.gz	QIZDHIJZMXIWPK-VWLOTQADSA-N	1	2	449.507	2.356	50	30		IEEALO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147374	557138910	/nfs/dbraw/zinc/13/89/10/557138910.db2.gz	QIZDHIJZMXIWPK-VWLOTQADSA-N	1	2	449.507	2.356	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccco2)c1	ZINC000102498694	557336600	/nfs/dbraw/zinc/33/66/00/557336600.db2.gz	BXLMHOFNMMDNHX-NHFXJNLRSA-N	1	2	426.469	2.432	50	30		IEEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)s1	ZINC000102863173	557403178	/nfs/dbraw/zinc/40/31/78/557403178.db2.gz	WVCCTONVCHQCGG-GHNGSUTGSA-N	1	2	442.541	2.299	50	30		IEEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(F)c1)c1ccncc1	ZINC000102882608	557408503	/nfs/dbraw/zinc/40/85/03/557408503.db2.gz	ZWTSGWGUBRXJQX-NHFXJNLRSA-N	1	2	425.460	2.365	50	30		IEEALO
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C	ZINC000239636996	557844779	/nfs/dbraw/zinc/84/47/79/557844779.db2.gz	BIDZULMWDPJFJH-QFIPXVFZSA-N	1	2	442.541	2.020	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)c1	ZINC000008666056	562960450	/nfs/dbraw/zinc/96/04/50/562960450.db2.gz	YBMABPQXZVNTTH-OAQYLSRUSA-N	1	2	437.496	2.391	50	30		IEEALO
C=CCN1C(=O)c2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)cc2C1=O	ZINC000024301795	568860663	/nfs/dbraw/zinc/86/06/63/568860663.db2.gz	DZSSSZNBFUJSIT-UHFFFAOYSA-N	1	2	431.492	2.362	50	30		IEEALO
C=CCNC(=O)N1CC[NH+]([C@H](C(=O)NCCc2ccc(OC)cc2)C2CCCC2)CC1	ZINC000036310636	568996689	/nfs/dbraw/zinc/99/66/89/568996689.db2.gz	MPESIBVRECKKQL-QFIPXVFZSA-N	1	2	428.577	2.426	50	30		IEEALO
CN(C)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000252630523	569204040	/nfs/dbraw/zinc/20/40/40/569204040.db2.gz	VBJPZHQSZMIYPU-UHFFFAOYSA-N	1	2	446.533	2.043	50	30		IEEALO
CCCC1(CCC)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000013098914	569309726	/nfs/dbraw/zinc/30/97/26/569309726.db2.gz	LHYNJYQWIUQVNK-UHFFFAOYSA-N	1	2	425.533	2.093	50	30		IEEALO
COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000020219562	569356854	/nfs/dbraw/zinc/35/68/54/569356854.db2.gz	NMRODQFYORODGO-NRFANRHFSA-N	1	2	437.496	2.391	50	30		IEEALO
COc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000020358383	569361826	/nfs/dbraw/zinc/36/18/26/569361826.db2.gz	IOBJOYZXXGVBML-NRFANRHFSA-N	1	2	437.496	2.391	50	30		IEEALO
COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(S(=O)(=O)Cc1ccccc1)C2	ZINC000096309869	569392399	/nfs/dbraw/zinc/39/23/99/569392399.db2.gz	UZYUENHRHKCQIA-JOCHJYFZSA-N	1	2	428.558	2.221	50	30		IEEALO
COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(S(=O)(=O)Cc1ccccc1)C2	ZINC000096309870	569392506	/nfs/dbraw/zinc/39/25/06/569392506.db2.gz	UZYUENHRHKCQIA-QFIPXVFZSA-N	1	2	428.558	2.221	50	30		IEEALO
COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000009042840	569497765	/nfs/dbraw/zinc/49/77/65/569497765.db2.gz	VBDXNKGGGIZOCC-MRJHHRETSA-N	1	2	437.496	2.234	50	30		IEEALO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)cc1	ZINC000032905110	518956722	/nfs/dbraw/zinc/95/67/22/518956722.db2.gz	DMYBGVZDUOTMJQ-HXUWFJFHSA-N	1	2	440.525	2.412	50	30		IEEALO
CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)c2cccc(OCc3cccnc3)c2)o1	ZINC000071842128	521980971	/nfs/dbraw/zinc/98/09/71/521980971.db2.gz	HPTQCTHNRPQKQY-UHFFFAOYSA-N	1	2	430.486	2.341	50	30		IEEALO
C[NH+]=C(Nc1ccc2c(c1)OCO2)S[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000012416496	523672938	/nfs/dbraw/zinc/67/29/38/523672938.db2.gz	HDOWSSNVHWCLKJ-QGZVFWFLSA-N	1	2	441.465	2.474	50	30		IEEALO
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C3=CC(=O)CC(C)(C)O3)C2)CC1	ZINC000055153482	524559326	/nfs/dbraw/zinc/55/93/26/524559326.db2.gz	DLCGYCKAFGWQDW-GOSISDBHSA-N	1	2	427.545	2.460	50	30		IEEALO
Cc1ccc(Cn2c(N[NH+]=Cc3ccc(N(C)C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000071782645	524767250	/nfs/dbraw/zinc/76/72/50/524767250.db2.gz	FUSYWTKFELQLKJ-QFEZKATASA-N	1	2	445.527	2.302	50	30		IEEALO
Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)c1C#N	ZINC000022800958	525683928	/nfs/dbraw/zinc/68/39/28/525683928.db2.gz	TVXQHZRXFMQLDL-NRFANRHFSA-N	1	2	436.560	2.307	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1	ZINC000013692689	526483413	/nfs/dbraw/zinc/48/34/13/526483413.db2.gz	RTGPEFJRKUZOJS-GOSISDBHSA-N	1	2	430.530	2.389	50	30		IEEALO
[NH2+]=C(COc1ccc([N+](=O)[O-])cc1)NOC(=O)CCn1cc(C(F)(F)F)ccc1=O	ZINC000012369931	526811780	/nfs/dbraw/zinc/81/17/80/526811780.db2.gz	AUIUKKQQKJVQGE-UHFFFAOYSA-N	1	2	428.323	2.060	50	30		IEEALO
C=C[C@@](C)(CO)[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000034691567	555804681	/nfs/dbraw/zinc/80/46/81/555804681.db2.gz	QDAZPQLCVQVLPE-QUCCMNQESA-N	1	2	430.467	2.432	50	30		IEEALO
C=C[C@@](C)(CO)[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000034691567	555804683	/nfs/dbraw/zinc/80/46/83/555804683.db2.gz	QDAZPQLCVQVLPE-QUCCMNQESA-N	1	2	430.467	2.432	50	30		IEEALO
C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CC[NH+](CCO)CC1	ZINC000020019536	556963950	/nfs/dbraw/zinc/96/39/50/556963950.db2.gz	DBVYVQWTHDGOHM-KRWDZBQOSA-N	1	2	426.561	2.087	50	30		IEEALO
CCOc1ccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NCC[NH+]2CCOCC2)cc1	ZINC000046133505	557040128	/nfs/dbraw/zinc/04/01/28/557040128.db2.gz	BVWLGVAACUVASP-UHFFFAOYSA-N	1	2	440.500	2.344	50	30		IEEALO
CCCCCCCCN1C(=O)C(=C(C)NCCCN2CC[NH+](C)CC2)C(=O)NC1=S	ZINC000102159998	557312929	/nfs/dbraw/zinc/31/29/29/557312929.db2.gz	ZBLDRXJSADRBRK-HNENSFHCSA-N	1	2	437.654	2.091	50	30		IEEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)s1	ZINC000102863174	557403167	/nfs/dbraw/zinc/40/31/67/557403167.db2.gz	WVCCTONVCHQCGG-SELCWUDQSA-N	1	2	442.541	2.299	50	30		IEEALO
N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1	ZINC000025166112	568645793	/nfs/dbraw/zinc/64/57/93/568645793.db2.gz	AAWBYNKBJCZTCY-UHFFFAOYSA-N	1	2	430.447	2.409	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000020102533	569333935	/nfs/dbraw/zinc/33/39/35/569333935.db2.gz	OSWNHGHSTIBOEA-LJQANCHMSA-N	1	2	441.440	2.488	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccn2)cc1	ZINC000008742914	569473037	/nfs/dbraw/zinc/47/30/37/569473037.db2.gz	CVWQTUYJMCNYMP-OAQYLSRUSA-N	1	2	437.496	2.391	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)c1	ZINC000008858549	569479867	/nfs/dbraw/zinc/47/98/67/569479867.db2.gz	JTNUEYQYCQSQGC-OAQYLSRUSA-N	1	2	437.496	2.391	50	30		IEEALO
CSCCCNC(NC[C@H](C)[NH+]1CCOCC1)=C(C#N)C(=O)Nc1ccccc1F	ZINC000225504921	525380457	/nfs/dbraw/zinc/38/04/57/525380457.db2.gz	RCHKJAXFBVJVTC-IRXDYDNUSA-N	1	2	435.569	2.366	50	30		IEEALO
Cc1c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cnn1C	ZINC000036612379	525906527	/nfs/dbraw/zinc/90/65/27/525906527.db2.gz	XYEYXKPPCVQODA-GOSISDBHSA-N	1	2	430.530	2.091	50	30		IEEALO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1	ZINC000095462344	526496373	/nfs/dbraw/zinc/49/63/73/526496373.db2.gz	UZXJNNGUHGHPEJ-QFIPXVFZSA-N	1	2	437.519	2.062	50	30		IEEALO
N#Cc1ccccc1S(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1	ZINC000012814881	526748545	/nfs/dbraw/zinc/74/85/45/526748545.db2.gz	XRDMFXDQYPEFFC-UHFFFAOYSA-N	1	2	445.508	2.198	50	30		IEEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1	ZINC000013718601	556717764	/nfs/dbraw/zinc/71/77/64/556717764.db2.gz	NLUQICGPXCWECC-IBGZPJMESA-N	1	2	444.557	2.399	50	30		IEEALO
Cc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1F	ZINC000024147307	557139022	/nfs/dbraw/zinc/13/90/22/557139022.db2.gz	YLAUPUVTAPHFAC-XMMPIXPASA-N	1	2	437.471	2.405	50	30		IEEALO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1F	ZINC000024147307	557139024	/nfs/dbraw/zinc/13/90/24/557139024.db2.gz	YLAUPUVTAPHFAC-XMMPIXPASA-N	1	2	437.471	2.405	50	30		IEEALO
COc1ccc(OCC[NH+]2CCN(C(=O)COc3ccc(C#N)cc3OC)CC2)cc1	ZINC000018260286	557254649	/nfs/dbraw/zinc/25/46/49/557254649.db2.gz	WKJPHTFWEWELLW-UHFFFAOYSA-N	1	2	425.485	2.177	50	30		IEEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)s1	ZINC000102927571	557410410	/nfs/dbraw/zinc/41/04/10/557410410.db2.gz	BSPXXXKSHPIBSD-SELCWUDQSA-N	1	2	442.541	2.299	50	30		IEEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)s1	ZINC000102927567	557410476	/nfs/dbraw/zinc/41/04/76/557410476.db2.gz	BSPXXXKSHPIBSD-GHNGSUTGSA-N	1	2	442.541	2.299	50	30		IEEALO
C=CCNC(=O)N1CC[NH+]([C@@H](C(=O)NCCc2ccc(OC)cc2)C2CCCC2)CC1	ZINC000036310634	568996663	/nfs/dbraw/zinc/99/66/63/568996663.db2.gz	MPESIBVRECKKQL-JOCHJYFZSA-N	1	2	428.577	2.426	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006445829	569178427	/nfs/dbraw/zinc/17/84/27/569178427.db2.gz	VMNHGYBYMCLAMO-IBGZPJMESA-N	1	2	441.440	2.488	50	30		IEEALO
C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000027538224	569267792	/nfs/dbraw/zinc/26/77/92/569267792.db2.gz	AIDPSWNUGHFCGV-KRWDZBQOSA-N	1	2	449.511	2.184	50	30		IEEALO
C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000027538224	569267794	/nfs/dbraw/zinc/26/77/94/569267794.db2.gz	AIDPSWNUGHFCGV-KRWDZBQOSA-N	1	2	449.511	2.184	50	30		IEEALO
C=CCN1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1cccc3cccnc31)CC2	ZINC000096210904	569386548	/nfs/dbraw/zinc/38/65/48/569386548.db2.gz	DFNGNJQCTROCKA-LJQANCHMSA-N	1	2	428.558	2.358	50	30		IEEALO
C=CCn1c(N2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000056952548	519195785	/nfs/dbraw/zinc/19/57/85/519195785.db2.gz	HHQJCRXLACFPLC-UHFFFAOYSA-N	1	2	449.342	2.238	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccn2)cc1	ZINC000012416273	523552932	/nfs/dbraw/zinc/55/29/32/523552932.db2.gz	CVWQTUYJMCNYMP-NRFANRHFSA-N	1	2	437.496	2.391	50	30		IEEALO
C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000022804246	524288373	/nfs/dbraw/zinc/28/83/73/524288373.db2.gz	XVBQRJGOSISYCJ-HNNXBMFYSA-N	1	2	437.569	2.352	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)cc1	ZINC000008438660	556174659	/nfs/dbraw/zinc/17/46/59/556174659.db2.gz	ZZTJHJODWKZQHM-NRFANRHFSA-N	1	2	437.496	2.391	50	30		IEEALO
C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000022926192	556339170	/nfs/dbraw/zinc/33/91/70/556339170.db2.gz	XVBQRJGOSISYCJ-OAHLLOKOSA-N	1	2	437.569	2.352	50	30		IEEALO
C[NH+](C)c1ccc(N2/C(=N/C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000015890545	556561581	/nfs/dbraw/zinc/56/15/81/556561581.db2.gz	DLSFOPHBFKHDCH-DQBSXFRDSA-N	1	2	445.566	2.433	50	30		IEEALO
COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000102859512	557399476	/nfs/dbraw/zinc/39/94/76/557399476.db2.gz	DTFNFPKFMPJLJM-NHFXJNLRSA-N	1	2	426.469	2.432	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)c1	ZINC000102861841	557402260	/nfs/dbraw/zinc/40/22/60/557402260.db2.gz	HADGZAKNKJHDMS-JBCNATCCSA-N	1	2	437.496	2.234	50	30		IEEALO
N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)oc1NCCC[NH+]1CCOCC1	ZINC000012421168	557837782	/nfs/dbraw/zinc/83/77/82/557837782.db2.gz	JFRNXAXZZHFDLE-UHFFFAOYSA-N	1	2	445.545	2.132	50	30		IEEALO
O=C(C#Cc1ccccc1)N1CCC2(C[C@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1	ZINC000012150103	568821473	/nfs/dbraw/zinc/82/14/73/568821473.db2.gz	PJAQJMOGQYOVDZ-QFIPXVFZSA-N	1	2	428.536	2.411	50	30		IEEALO
C=CCOc1ccccc1C[N@@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccccc1	ZINC000014990480	568827816	/nfs/dbraw/zinc/82/78/16/568827816.db2.gz	LKJTWIOGQRJSDZ-YADHBBJMSA-N	1	2	432.528	2.412	50	30		IEEALO
C=CCOc1ccccc1C[N@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccccc1	ZINC000014990480	568827817	/nfs/dbraw/zinc/82/78/17/568827817.db2.gz	LKJTWIOGQRJSDZ-YADHBBJMSA-N	1	2	432.528	2.412	50	30		IEEALO
C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000170596496	569142152	/nfs/dbraw/zinc/14/21/52/569142152.db2.gz	SCULMBVBRVTHDB-INIZCTEOSA-N	1	2	431.456	2.394	50	30		IEEALO
C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000170596496	569142154	/nfs/dbraw/zinc/14/21/54/569142154.db2.gz	SCULMBVBRVTHDB-INIZCTEOSA-N	1	2	431.456	2.394	50	30		IEEALO
C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000027538222	569267825	/nfs/dbraw/zinc/26/78/25/569267825.db2.gz	AIDPSWNUGHFCGV-QGZVFWFLSA-N	1	2	449.511	2.184	50	30		IEEALO
C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000027538222	569267826	/nfs/dbraw/zinc/26/78/26/569267826.db2.gz	AIDPSWNUGHFCGV-QGZVFWFLSA-N	1	2	449.511	2.184	50	30		IEEALO
COc1ccc(/N=C2\S[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CC(=O)N2C)cc1	ZINC000008663716	569470005	/nfs/dbraw/zinc/47/00/05/569470005.db2.gz	AGVWTPKCAOPWPH-FNWSHLARSA-N	1	2	439.541	2.390	50	30		IEEALO
COc1ccc(/N=C2\S[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CC(=O)N2C)cc1	ZINC000008663717	569470010	/nfs/dbraw/zinc/47/00/10/569470010.db2.gz	AGVWTPKCAOPWPH-LWVPEANGSA-N	1	2	439.541	2.390	50	30		IEEALO
CC[NH+](CC)c1ccc(N2/C(=N/C(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000015894434	520912217	/nfs/dbraw/zinc/91/22/17/520912217.db2.gz	ZJROHENWEBCPKV-PASYPCJHSA-N	1	2	437.587	2.313	50	30		IEEALO
O=C(COc1coc(C[NH+]2CCN(c3ccccc3)CC2)cc1=O)NC[C@H]1CCCO1	ZINC000056949834	527477643	/nfs/dbraw/zinc/47/76/43/527477643.db2.gz	MJPPEZJPGQCDGG-LJQANCHMSA-N	1	2	427.501	2.476	50	30		IEEALO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2OC)cc1	ZINC000032905111	556550604	/nfs/dbraw/zinc/55/06/04/556550604.db2.gz	DMYBGVZDUOTMJQ-FQEVSTJZSA-N	1	2	440.525	2.412	50	30		IEEALO
C=CC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1	ZINC000023148273	557027431	/nfs/dbraw/zinc/02/74/31/557027431.db2.gz	DZDHIZSZZAYSGH-UHFFFAOYSA-N	1	2	429.542	2.334	50	30		IEEALO
C=CC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1	ZINC000023148273	557027437	/nfs/dbraw/zinc/02/74/37/557027437.db2.gz	DZDHIZSZZAYSGH-UHFFFAOYSA-N	1	2	429.542	2.334	50	30		IEEALO
CC(=O)Nc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(F)cc2)c1	ZINC000046134901	557041588	/nfs/dbraw/zinc/04/15/88/557041588.db2.gz	HGGBAVUUKLTUPQ-UHFFFAOYSA-N	1	2	427.480	2.314	50	30		IEEALO
NC(=[NH2+])NN=C1C(=O)N(C2CCCCCCC2)C(=O)[C@@H]1C(=O)NC1CCCCCCC1	ZINC000101920940	557296701	/nfs/dbraw/zinc/29/67/01/557296701.db2.gz	SAGABTFLQRFBNN-NGOJKJPPSA-N	1	2	432.569	2.152	50	30		IEEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccncc1)c1ccc(F)cc1	ZINC000102543940	557348661	/nfs/dbraw/zinc/34/86/61/557348661.db2.gz	XYFCFBXEBIKJIW-YDJIHCHBSA-N	1	2	425.460	2.365	50	30		IEEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)c(C)n1	ZINC000102735749	557373226	/nfs/dbraw/zinc/37/32/26/557373226.db2.gz	XVMPWMBWIIRAKO-WOOAAIBNSA-N	1	2	442.541	2.299	50	30		IEEALO
CC[NH+]1CCN(C2=C(NS(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc3C2=O)CC1	ZINC000009057769	562966775	/nfs/dbraw/zinc/96/67/75/562966775.db2.gz	CTTGJLPYZZTLOJ-UHFFFAOYSA-N	1	2	439.537	2.202	50	30		IEEALO
COc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000020358384	569361811	/nfs/dbraw/zinc/36/18/11/569361811.db2.gz	IOBJOYZXXGVBML-OAQYLSRUSA-N	1	2	437.496	2.391	50	30		IEEALO
C=CCN1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1cccc3cccnc31)CC2	ZINC000096210905	569386645	/nfs/dbraw/zinc/38/66/45/569386645.db2.gz	DFNGNJQCTROCKA-IBGZPJMESA-N	1	2	428.558	2.358	50	30		IEEALO
NC1=C(c2nc(-c3ccc(Br)cc3)cs2)C(=O)CN1CC[NH+]1CCOCC1	ZINC000218570133	569458566	/nfs/dbraw/zinc/45/85/66/569458566.db2.gz	IZJZIKLHHMCCGP-UHFFFAOYSA-N	1	2	449.374	2.417	50	30		IEEALO
C=CC[NH+]1CCN(CC2=NC(=O)N[C@@H](c3ccccc3OCC)C2C(=O)OCC)CC1	ZINC000067286870	518866212	/nfs/dbraw/zinc/86/62/12/518866212.db2.gz	LSTVNCLGXUNTBR-NRFANRHFSA-N	1	2	428.533	2.060	50	30		IEEALO
C=CC[NH+]1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)CC1	ZINC000067262643	518868756	/nfs/dbraw/zinc/86/87/56/518868756.db2.gz	FGRWSOUATGDGET-UHFFFAOYSA-N	1	2	434.525	2.418	50	30		IEEALO
C=CCn1c(N2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000056952547	519195453	/nfs/dbraw/zinc/19/54/53/519195453.db2.gz	WRDZSFBUPVSGQB-UHFFFAOYSA-N	1	2	449.342	2.238	50	30		IEEALO
C=CCn1c(N2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000056952545	519195834	/nfs/dbraw/zinc/19/58/34/519195834.db2.gz	VILDBXYHUCIUMI-UHFFFAOYSA-N	1	2	449.342	2.238	50	30		IEEALO
C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1	ZINC000022917117	526243001	/nfs/dbraw/zinc/24/30/01/526243001.db2.gz	AQZUYFVPTODKDE-SFHVURJKSA-N	1	2	429.590	2.259	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1	ZINC000013692690	526482887	/nfs/dbraw/zinc/48/28/87/526482887.db2.gz	RTGPEFJRKUZOJS-SFHVURJKSA-N	1	2	430.530	2.389	50	30		IEEALO
N#Cc1ccc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)cc1	ZINC000012814902	526681250	/nfs/dbraw/zinc/68/12/50/526681250.db2.gz	ROFXACNWBCRNEM-UHFFFAOYSA-N	1	2	445.508	2.198	50	30		IEEALO
COc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(F)cc2)cc1OC	ZINC000046134848	557041576	/nfs/dbraw/zinc/04/15/76/557041576.db2.gz	GPCAOOOJCZXYNJ-UHFFFAOYSA-N	1	2	430.480	2.373	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccco2)c1	ZINC000102498702	557336699	/nfs/dbraw/zinc/33/66/99/557336699.db2.gz	BXLMHOFNMMDNHX-YDJIHCHBSA-N	1	2	426.469	2.432	50	30		IEEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1	ZINC000102738674	557380304	/nfs/dbraw/zinc/38/03/04/557380304.db2.gz	VYVSYGUCFFQLNG-LFVOPCPISA-N	1	2	444.557	2.242	50	30		IEEALO
C=C[C@@](C)(CO)[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000105039129	557473330	/nfs/dbraw/zinc/47/33/30/557473330.db2.gz	QDAZPQLCVQVLPE-ICSRJNTNSA-N	1	2	430.467	2.432	50	30		IEEALO
C=C[C@@](C)(CO)[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000105039129	557473332	/nfs/dbraw/zinc/47/33/32/557473332.db2.gz	QDAZPQLCVQVLPE-ICSRJNTNSA-N	1	2	430.467	2.432	50	30		IEEALO
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C	ZINC000239636995	557844765	/nfs/dbraw/zinc/84/47/65/557844765.db2.gz	BIDZULMWDPJFJH-JOCHJYFZSA-N	1	2	442.541	2.020	50	30		IEEALO
O=C(C#Cc1ccccc1)N1CCC2(C[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1	ZINC000012150102	568821526	/nfs/dbraw/zinc/82/15/26/568821526.db2.gz	PJAQJMOGQYOVDZ-JOCHJYFZSA-N	1	2	428.536	2.411	50	30		IEEALO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000170596485	569142141	/nfs/dbraw/zinc/14/21/41/569142141.db2.gz	OASLXNHZWNKAPN-QGZVFWFLSA-N	1	2	438.553	2.345	50	30		IEEALO
C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000170596485	569142143	/nfs/dbraw/zinc/14/21/43/569142143.db2.gz	OASLXNHZWNKAPN-QGZVFWFLSA-N	1	2	438.553	2.345	50	30		IEEALO
COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000020219563	569356812	/nfs/dbraw/zinc/35/68/12/569356812.db2.gz	NMRODQFYORODGO-OAQYLSRUSA-N	1	2	437.496	2.391	50	30		IEEALO
COc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1	ZINC000008871159	569480731	/nfs/dbraw/zinc/48/07/31/569480731.db2.gz	RZJIJURKLMHKKZ-FQEVSTJZSA-N	1	2	437.525	2.429	50	30		IEEALO
C=CCNC(=O)N1CC[NH+]([C@@H](C(=O)NCCc2ccccc2OC)C2CCCC2)CC1	ZINC000036310655	518905411	/nfs/dbraw/zinc/90/54/11/518905411.db2.gz	DKWMLPWOMZUCJS-JOCHJYFZSA-N	1	2	428.577	2.426	50	30		IEEALO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)c1	ZINC000012520038	518957045	/nfs/dbraw/zinc/95/70/45/518957045.db2.gz	UQERWPKJDAUOLT-HXUWFJFHSA-N	1	2	440.525	2.412	50	30		IEEALO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](CC(=O)NC2CC2)CC1	ZINC000022775891	524289110	/nfs/dbraw/zinc/28/91/10/524289110.db2.gz	UJUBMLAUXNGUFN-HNNXBMFYSA-N	1	2	429.590	2.112	50	30		IEEALO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1	ZINC000095462345	526511447	/nfs/dbraw/zinc/51/14/47/526511447.db2.gz	UZXJNNGUHGHPEJ-JOCHJYFZSA-N	1	2	437.519	2.062	50	30		IEEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)c(C)n1	ZINC000013691111	527223089	/nfs/dbraw/zinc/22/30/89/527223089.db2.gz	UNYLQKBXCIGUHO-IBGZPJMESA-N	1	2	442.541	2.456	50	30		IEEALO
C=CCOc1ccc(-c2nnc(CCC(=O)NCC[NH+]3CCCCC3)c(=O)[nH]2)cc1OC	ZINC000034766195	555906382	/nfs/dbraw/zinc/90/63/82/555906382.db2.gz	LONBICKTJUGXNM-UHFFFAOYSA-N	1	2	441.532	2.352	50	30		IEEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)c(C)n1	ZINC000013722907	556717403	/nfs/dbraw/zinc/71/74/03/556717403.db2.gz	IFKHNYYGODINCA-OAQYLSRUSA-N	1	2	436.512	2.394	50	30		IEEALO
COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O	ZINC000020082139	556978993	/nfs/dbraw/zinc/97/89/93/556978993.db2.gz	XMAPQOCYVLLQFZ-FQEVSTJZSA-N	1	2	442.468	2.294	50	30		IEEALO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1	ZINC000011526100	557159285	/nfs/dbraw/zinc/15/92/85/557159285.db2.gz	YFPJVLSBLRLSJZ-UHFFFAOYSA-N	1	2	435.528	2.015	50	30		IEEALO
CCOC(=O)C(=CNC1CC1)C(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](C)CC2)cc1Cl	ZINC000101437095	557285406	/nfs/dbraw/zinc/28/54/06/557285406.db2.gz	NKRFDPAZZBYLNF-QINSGFPZSA-N	1	2	436.896	2.382	50	30		IEEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1	ZINC000102746226	557378600	/nfs/dbraw/zinc/37/86/00/557378600.db2.gz	SSHFZSQJHRTPIO-MRJHHRETSA-N	1	2	438.528	2.181	50	30		IEEALO
C[NH+](C)c1ccc(N2/C(=N/C(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000008995895	562966502	/nfs/dbraw/zinc/96/65/02/562966502.db2.gz	DLSFOPHBFKHDCH-ZSBAHVMLSA-N	1	2	445.566	2.433	50	30		IEEALO
CC[NH+](CC)c1ccc(N2/C(=N/C(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009488725	562971861	/nfs/dbraw/zinc/97/18/61/562971861.db2.gz	ZJROHENWEBCPKV-PYCZEHKTSA-N	1	2	437.587	2.313	50	30		IEEALO
CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc1C	ZINC000019121806	568742572	/nfs/dbraw/zinc/74/25/72/568742572.db2.gz	CFRAKSCEKUCPBD-UHFFFAOYSA-N	1	2	425.514	2.274	50	30		IEEALO
CCN(CC)c1ccc(C=[NH+]Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	ZINC000252606799	569194502	/nfs/dbraw/zinc/19/45/02/569194502.db2.gz	GVINHNIBLFZRNB-UHFFFAOYSA-N	1	2	439.564	2.442	50	30		IEEALO
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000020219559	569356802	/nfs/dbraw/zinc/35/68/02/569356802.db2.gz	RFXBNMISOVTKOR-OAQYLSRUSA-N	1	2	437.496	2.391	50	30		IEEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccnc1)c1ccc(F)cc1	ZINC000008836224	569478011	/nfs/dbraw/zinc/47/80/11/569478011.db2.gz	ONFWRAKJUXXFLK-NHFXJNLRSA-N	1	2	425.460	2.365	50	30		IEEALO
COc1ccc(-c2nc(NCc3ccc(N4CC[NH+](C)CC4)nc3)[nH]c(=O)c2C#N)cc1	ZINC000040130046	569490205	/nfs/dbraw/zinc/49/02/05/569490205.db2.gz	YEJDNIVVSRRPKW-UHFFFAOYSA-N	1	2	431.500	2.488	50	30		IEEALO
N#Cc1c2c(c(-c3ccccc3)nc1N1CC[NH+](CC(=O)N3CCOCC3)CC1)CCC2	ZINC000013609180	132351635	/nfs/dbraw/zinc/35/16/35/132351635.db2.gz	KHDIUWHAELVRBA-UHFFFAOYSA-N	1	2	431.540	2.090	50	30		IEEALO
C=C(C)Cn1c(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000056952573	518638826	/nfs/dbraw/zinc/63/88/26/518638826.db2.gz	HILXDZKANPDLKI-UHFFFAOYSA-N	1	2	446.914	2.114	50	30		IEEALO
CC[NH+]1CCN(c2ncc(Cl)c(C(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)n2)CC1	ZINC000036413069	521701404	/nfs/dbraw/zinc/70/14/04/521701404.db2.gz	OBFJKSVZAZRHSL-AWEZNQCLSA-N	1	2	437.891	2.411	50	30		IEEALO
COC(=O)c1ccc(CSc2nc(N3CCOCC3)c3c(c2C#N)CC[N@@H+](C)C3)o1	ZINC000020648124	522051296	/nfs/dbraw/zinc/05/12/96/522051296.db2.gz	LRRXRQFEIDEVOM-UHFFFAOYSA-N	1	2	428.514	2.450	50	30		IEEALO
COC(=O)c1ccc(CSc2nc(N3CCOCC3)c3c(c2C#N)CC[N@H+](C)C3)o1	ZINC000020648124	522051305	/nfs/dbraw/zinc/05/13/05/522051305.db2.gz	LRRXRQFEIDEVOM-UHFFFAOYSA-N	1	2	428.514	2.450	50	30		IEEALO
CN(C)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000035128464	522135292	/nfs/dbraw/zinc/13/52/92/522135292.db2.gz	VBJPZHQSZMIYPU-RCCKNPSSSA-N	1	2	446.533	2.043	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccn2)cc1	ZINC000102690122	523375243	/nfs/dbraw/zinc/37/52/43/523375243.db2.gz	WPEHRIYYUULCFZ-JBCNATCCSA-N	1	2	437.496	2.234	50	30		IEEALO
COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1S(=O)(=O)N1CCOCC1	ZINC000082062756	523463795	/nfs/dbraw/zinc/46/37/95/523463795.db2.gz	MHWIZQCALYWNIJ-UHFFFAOYSA-N	1	2	445.541	2.362	50	30		IEEALO
COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1S(=O)(=O)N1CCOCC1	ZINC000082062756	523463806	/nfs/dbraw/zinc/46/38/06/523463806.db2.gz	MHWIZQCALYWNIJ-UHFFFAOYSA-N	1	2	445.541	2.362	50	30		IEEALO
Cc1ccc(Cn2c(N[NH+]=Cc3ccc(N(C)C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000012437270	524767223	/nfs/dbraw/zinc/76/72/23/524767223.db2.gz	FUSYWTKFELQLKJ-AFUMVMLFSA-N	1	2	445.527	2.302	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1F	ZINC000013687779	526482555	/nfs/dbraw/zinc/48/25/55/526482555.db2.gz	OTFDUIKPLHJGMB-FQEVSTJZSA-N	1	2	442.491	2.466	50	30		IEEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)s1	ZINC000009041293	556242056	/nfs/dbraw/zinc/24/20/56/556242056.db2.gz	IUOQHBGDSZVISV-SFHVURJKSA-N	1	2	442.541	2.456	50	30		IEEALO
C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CC[NH+](CCO)CC1	ZINC000020019540	556963958	/nfs/dbraw/zinc/96/39/58/556963958.db2.gz	DBVYVQWTHDGOHM-QGZVFWFLSA-N	1	2	426.561	2.087	50	30		IEEALO
COc1ccc(NC(=NC(=O)c2cccc(F)c2)NCC[NH+]2CCOCC2)cc1OC	ZINC000046134975	557041663	/nfs/dbraw/zinc/04/16/63/557041663.db2.gz	JXNGGZSLQCGPCX-UHFFFAOYSA-N	1	2	430.480	2.373	50	30		IEEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccncc1)c1ccc(F)cc1	ZINC000102543932	557348745	/nfs/dbraw/zinc/34/87/45/557348745.db2.gz	XYFCFBXEBIKJIW-NHFXJNLRSA-N	1	2	425.460	2.365	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102858627	557399434	/nfs/dbraw/zinc/39/94/34/557399434.db2.gz	IJEBVJQOOWKORP-WOOAAIBNSA-N	1	2	441.440	2.332	50	30		IEEALO
COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000102859509	557399462	/nfs/dbraw/zinc/39/94/62/557399462.db2.gz	DTFNFPKFMPJLJM-YDJIHCHBSA-N	1	2	426.469	2.432	50	30		IEEALO
C=CCNC(=O)c1c(=O)cc(C)n(CC[NH+]2CCOCC2)c1COc1ccc(C)cc1	ZINC000014889110	568827413	/nfs/dbraw/zinc/82/74/13/568827413.db2.gz	YXJRXNGOGIUBTA-UHFFFAOYSA-N	1	2	425.529	2.292	50	30		IEEALO
CCC(C)(C)NC(=O)CO[NH+]=C(N)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1	ZINC000079013818	569321839	/nfs/dbraw/zinc/32/18/39/569321839.db2.gz	UPLVWMJALGXOKB-UHFFFAOYSA-N	1	2	442.539	2.489	50	30		IEEALO
COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000008817128	569476884	/nfs/dbraw/zinc/47/68/84/569476884.db2.gz	SWZBATZAGANGFU-NHFXJNLRSA-N	1	2	426.469	2.432	50	30		IEEALO
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000008817731	569476970	/nfs/dbraw/zinc/47/69/70/569476970.db2.gz	ZZQDMYOSCYDGJN-YDJIHCHBSA-N	1	2	426.469	2.432	50	30		IEEALO
C=CC[NH+]1CCN(Cc2nc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)no2)CC1	ZINC000065235813	518865651	/nfs/dbraw/zinc/86/56/51/518865651.db2.gz	RLFRJCNVMDYKPE-UHFFFAOYSA-N	1	2	445.527	2.206	50	30		IEEALO
C=CCOc1ccc2nc(C)n(-c3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)c(=O)c2c1	ZINC000020718834	519049477	/nfs/dbraw/zinc/04/94/77/519049477.db2.gz	FLUZDCBPTCGHBR-UHFFFAOYSA-N	1	2	448.523	2.321	50	30		IEEALO
Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)c1C#N	ZINC000022800964	525682548	/nfs/dbraw/zinc/68/25/48/525682548.db2.gz	TVXQHZRXFMQLDL-OAQYLSRUSA-N	1	2	436.560	2.307	50	30		IEEALO
COc1cccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)c1	ZINC000013566835	526133942	/nfs/dbraw/zinc/13/39/42/526133942.db2.gz	CXUQDLQHPZCNNR-UHFFFAOYSA-N	1	2	433.530	2.179	50	30		IEEALO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](CC(=O)NC2CC2)CC1	ZINC000022775896	526175184	/nfs/dbraw/zinc/17/51/84/526175184.db2.gz	UJUBMLAUXNGUFN-OAHLLOKOSA-N	1	2	429.590	2.112	50	30		IEEALO
CN(CC(=O)ONC(=[NH2+])c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000006574659	556095196	/nfs/dbraw/zinc/09/51/96/556095196.db2.gz	XHBUNPGCMUVOLL-UHFFFAOYSA-N	1	2	442.453	2.232	50	30	aggregator	IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccn2)c1	ZINC000008860059	556228095	/nfs/dbraw/zinc/22/80/95/556228095.db2.gz	SZHVXHXIIDJPND-OAQYLSRUSA-N	1	2	437.496	2.391	50	30		IEEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)c(C)n1	ZINC000013722910	556717412	/nfs/dbraw/zinc/71/74/12/556717412.db2.gz	IFKHNYYGODINCA-NRFANRHFSA-N	1	2	436.512	2.394	50	30		IEEALO
COc1cc(OC)cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(F)cc2)c1	ZINC000046134897	557041641	/nfs/dbraw/zinc/04/16/41/557041641.db2.gz	QYTYLCHUZHLJKZ-UHFFFAOYSA-N	1	2	430.480	2.373	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccn2)cc1	ZINC000102690119	557363946	/nfs/dbraw/zinc/36/39/46/557363946.db2.gz	WPEHRIYYUULCFZ-MRJHHRETSA-N	1	2	437.496	2.234	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1F	ZINC000102749768	557379214	/nfs/dbraw/zinc/37/92/14/557379214.db2.gz	XSPBPGBDYAWMLU-YDJIHCHBSA-N	1	2	442.491	2.310	50	30		IEEALO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000170596495	569142078	/nfs/dbraw/zinc/14/20/78/569142078.db2.gz	SCULMBVBRVTHDB-MRXNPFEDSA-N	1	2	431.456	2.394	50	30		IEEALO
C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000170596495	569142081	/nfs/dbraw/zinc/14/20/81/569142081.db2.gz	SCULMBVBRVTHDB-MRXNPFEDSA-N	1	2	431.456	2.394	50	30		IEEALO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2OC)c1	ZINC000012520039	518957128	/nfs/dbraw/zinc/95/71/28/518957128.db2.gz	UQERWPKJDAUOLT-FQEVSTJZSA-N	1	2	440.525	2.412	50	30		IEEALO
C[NH+]=C(Nc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000095531859	523671812	/nfs/dbraw/zinc/67/18/12/523671812.db2.gz	HDOWSSNVHWCLKJ-KRWDZBQOSA-N	1	2	441.465	2.474	50	30		IEEALO
C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)C1	ZINC000022789812	525375161	/nfs/dbraw/zinc/37/51/61/525375161.db2.gz	APAHUNSJKFSESO-CALCHBBNSA-N	1	2	443.617	2.169	50	30		IEEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1	ZINC000013718598	527605803	/nfs/dbraw/zinc/60/58/03/527605803.db2.gz	NLUQICGPXCWECC-LJQANCHMSA-N	1	2	444.557	2.399	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013799646	556310108	/nfs/dbraw/zinc/31/01/08/556310108.db2.gz	QVWDCAASZBOMNC-IBGZPJMESA-N	1	2	441.440	2.488	50	30		IEEALO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000032652440	556413504	/nfs/dbraw/zinc/41/35/04/556413504.db2.gz	GWBVYAUYQNXRNU-UHFFFAOYSA-N	1	2	440.497	2.233	50	30		IEEALO
C[NH+](C)c1ccc(N2/C(=N/C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000015890547	556561638	/nfs/dbraw/zinc/56/16/38/556561638.db2.gz	DLSFOPHBFKHDCH-ZPTLURPKSA-N	1	2	445.566	2.433	50	30		IEEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1	ZINC000013728369	556721199	/nfs/dbraw/zinc/72/11/99/556721199.db2.gz	VJKCBAAEOVQXSK-NRFANRHFSA-N	1	2	438.528	2.338	50	30		IEEALO
O=C(N=C(NCC[NH+]1CCOCC1)Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1	ZINC000046135055	557042047	/nfs/dbraw/zinc/04/20/47/557042047.db2.gz	TYROOGURHNEQMT-UHFFFAOYSA-N	1	2	428.464	2.127	50	30		IEEALO
N/C(=N/O)c1ccccc1CN(Cc1ccccc1/C(N)=N/O)c1ccc(/C(N)=[NH+]\O)cc1	ZINC000100032013	557237866	/nfs/dbraw/zinc/23/78/66/557237866.db2.gz	NZUMNESPIRKGDF-UHFFFAOYSA-N	1	2	447.499	2.177	50	30		IEEALO
COc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000102543776	557348738	/nfs/dbraw/zinc/34/87/38/557348738.db2.gz	VEYXOCNRPUAVSS-MRJHHRETSA-N	1	2	437.496	2.234	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1	ZINC000102736879	557375240	/nfs/dbraw/zinc/37/52/40/557375240.db2.gz	IGWLEASAOQDZQB-SELCWUDQSA-N	1	2	430.530	2.232	50	30		IEEALO
N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)oc1NCC[NH+]1CCOCC1	ZINC000012421083	557837737	/nfs/dbraw/zinc/83/77/37/557837737.db2.gz	DPLBHUIUVUUKEI-UHFFFAOYSA-N	1	2	445.545	2.132	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(O)c1	ZINC000020309631	569359720	/nfs/dbraw/zinc/35/97/20/569359720.db2.gz	BBRYTCVRUOWBCK-LJQANCHMSA-N	1	2	441.440	2.449	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c(O)c1	ZINC000020309636	569359800	/nfs/dbraw/zinc/35/98/00/569359800.db2.gz	VJIQMIYJLYSTED-LJQANCHMSA-N	1	2	441.440	2.449	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(O)c1	ZINC000020309634	569359816	/nfs/dbraw/zinc/35/98/16/569359816.db2.gz	BBRYTCVRUOWBCK-IBGZPJMESA-N	1	2	441.440	2.449	50	30		IEEALO
COc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1	ZINC000008871158	569480725	/nfs/dbraw/zinc/48/07/25/569480725.db2.gz	RZJIJURKLMHKKZ-HXUWFJFHSA-N	1	2	437.525	2.429	50	30		IEEALO
COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000009042838	569497750	/nfs/dbraw/zinc/49/77/50/569497750.db2.gz	VBDXNKGGGIZOCC-JBCNATCCSA-N	1	2	437.496	2.234	50	30		IEEALO
C#CC[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1ccc(C)cc1	ZINC000057997105	518255760	/nfs/dbraw/zinc/25/57/60/518255760.db2.gz	MLEUAZXQUDDADG-UHFFFAOYSA-N	1	2	439.581	2.104	50	30		IEEALO
C#CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1ccc(C)cc1	ZINC000057997105	518255769	/nfs/dbraw/zinc/25/57/69/518255769.db2.gz	MLEUAZXQUDDADG-UHFFFAOYSA-N	1	2	439.581	2.104	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(F)c1	ZINC000013693414	526482503	/nfs/dbraw/zinc/48/25/03/526482503.db2.gz	NZWZAEGYJQBHTR-FQEVSTJZSA-N	1	2	442.491	2.466	50	30		IEEALO
O=C(COc1coc(C[NH+]2CCN(c3ccccc3)CC2)cc1=O)NC[C@@H]1CCCO1	ZINC000056949833	527478230	/nfs/dbraw/zinc/47/82/30/527478230.db2.gz	MJPPEZJPGQCDGG-IBGZPJMESA-N	1	2	427.501	2.476	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009310115	556278855	/nfs/dbraw/zinc/27/88/55/556278855.db2.gz	QVWDCAASZBOMNC-LJQANCHMSA-N	1	2	441.440	2.488	50	30		IEEALO
CC(C)=C1Oc2c(ccc(O)c2C[N@@H+]2CCCN(S(=O)(=O)N3CCCCC3)CC2)C1=O	ZINC000218485233	557202699	/nfs/dbraw/zinc/20/26/99/557202699.db2.gz	OPGPXFANEAZFTF-UHFFFAOYSA-N	1	2	449.573	2.500	50	30		IEEALO
CC(C)=C1Oc2c(ccc(O)c2C[N@H+]2CCCN(S(=O)(=O)N3CCCCC3)CC2)C1=O	ZINC000218485233	557202706	/nfs/dbraw/zinc/20/27/06/557202706.db2.gz	OPGPXFANEAZFTF-UHFFFAOYSA-N	1	2	449.573	2.500	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccn2)c1	ZINC000102707247	557367293	/nfs/dbraw/zinc/36/72/93/557367293.db2.gz	KNMSHEPRTPTVOO-MRJHHRETSA-N	1	2	437.496	2.234	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1F	ZINC000102749765	557379249	/nfs/dbraw/zinc/37/92/49/557379249.db2.gz	XSPBPGBDYAWMLU-NHFXJNLRSA-N	1	2	442.491	2.310	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102858630	557399440	/nfs/dbraw/zinc/39/94/40/557399440.db2.gz	IJEBVJQOOWKORP-LFVOPCPISA-N	1	2	441.440	2.332	50	30		IEEALO
C=C[C@](C)(CO)[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000169681291	568991996	/nfs/dbraw/zinc/99/19/96/568991996.db2.gz	QDAZPQLCVQVLPE-AZUAARDMSA-N	1	2	430.467	2.432	50	30		IEEALO
C=C[C@](C)(CO)[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000169681291	568991998	/nfs/dbraw/zinc/99/19/98/568991998.db2.gz	QDAZPQLCVQVLPE-AZUAARDMSA-N	1	2	430.467	2.432	50	30		IEEALO
C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1	ZINC000253392475	569264301	/nfs/dbraw/zinc/26/43/01/569264301.db2.gz	APESYXRQWQENCI-UHFFFAOYSA-N	1	2	428.968	2.499	50	30		IEEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)c(C)n1	ZINC000013691110	527222752	/nfs/dbraw/zinc/22/27/52/527222752.db2.gz	UNYLQKBXCIGUHO-LJQANCHMSA-N	1	2	442.541	2.456	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)cc1	ZINC000008438658	556174566	/nfs/dbraw/zinc/17/45/66/556174566.db2.gz	ZZTJHJODWKZQHM-OAQYLSRUSA-N	1	2	437.496	2.391	50	30		IEEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)s1	ZINC000008836080	556225658	/nfs/dbraw/zinc/22/56/58/556225658.db2.gz	TWBNJJZRJULOOC-GOSISDBHSA-N	1	2	442.541	2.456	50	30		IEEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1	ZINC000013728366	556721292	/nfs/dbraw/zinc/72/12/92/556721292.db2.gz	VJKCBAAEOVQXSK-OAQYLSRUSA-N	1	2	438.528	2.338	50	30		IEEALO
O=C(N=C(NCC[NH+]1CCOCC1)Nc1ccc2c(c1)OCCO2)c1cccc(F)c1	ZINC000046135059	557041942	/nfs/dbraw/zinc/04/19/42/557041942.db2.gz	VIJJGUMRLGCRDN-UHFFFAOYSA-N	1	2	428.464	2.127	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1	ZINC000102736878	557375245	/nfs/dbraw/zinc/37/52/45/557375245.db2.gz	IGWLEASAOQDZQB-GHNGSUTGSA-N	1	2	430.530	2.232	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(F)c1	ZINC000102751775	557382860	/nfs/dbraw/zinc/38/28/60/557382860.db2.gz	ZETOWEXRFHRACD-NHFXJNLRSA-N	1	2	442.491	2.310	50	30		IEEALO
C[NH+](C)c1ccc(N2/C(=N/C(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000008995896	562966480	/nfs/dbraw/zinc/96/64/80/562966480.db2.gz	DLSFOPHBFKHDCH-DBWZVEGISA-N	1	2	445.566	2.433	50	30		IEEALO
CC[NH+](CC)c1ccc(N2/C(=N/C(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009488729	562971834	/nfs/dbraw/zinc/97/18/34/562971834.db2.gz	ZJROHENWEBCPKV-RNEKCMENSA-N	1	2	437.587	2.313	50	30		IEEALO
COc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000020219558	569356872	/nfs/dbraw/zinc/35/68/72/569356872.db2.gz	RFXBNMISOVTKOR-NRFANRHFSA-N	1	2	437.496	2.391	50	30		IEEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c(O)c1	ZINC000020309638	569359794	/nfs/dbraw/zinc/35/97/94/569359794.db2.gz	VJIQMIYJLYSTED-IBGZPJMESA-N	1	2	441.440	2.449	50	30		IEEALO
C=CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccc(Br)cc2)n(C)c1=O	ZINC000008725104	569472078	/nfs/dbraw/zinc/47/20/78/569472078.db2.gz	SIXJUWTVMZWNNJ-UHFFFAOYSA-N	1	2	443.305	2.241	50	30		IEEALO
COc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000008901307	569484290	/nfs/dbraw/zinc/48/42/90/569484290.db2.gz	BMZAYSUMBLYOAK-MRJHHRETSA-N	1	2	437.496	2.234	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009045745	569498121	/nfs/dbraw/zinc/49/81/21/569498121.db2.gz	JDQNXTADTNCMJZ-WOOAAIBNSA-N	1	2	441.440	2.332	50	30		IEEALO
CC[NH+]1CCN(c2ncc(Cl)c(C(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)n2)CC1	ZINC000036413068	521701819	/nfs/dbraw/zinc/70/18/19/521701819.db2.gz	OBFJKSVZAZRHSL-CQSZACIVSA-N	1	2	437.891	2.411	50	30		IEEALO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl	ZINC000012892816	521968738	/nfs/dbraw/zinc/96/87/38/521968738.db2.gz	MCVNCLMIOUWOLA-UHFFFAOYSA-N	1	2	446.960	2.420	50	30		IEEALO
C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1	ZINC000022917112	524089333	/nfs/dbraw/zinc/08/93/33/524089333.db2.gz	AQZUYFVPTODKDE-GOSISDBHSA-N	1	2	429.590	2.259	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1F	ZINC000013687775	526482612	/nfs/dbraw/zinc/48/26/12/526482612.db2.gz	OTFDUIKPLHJGMB-HXUWFJFHSA-N	1	2	442.491	2.466	50	30		IEEALO
C=CCNC(=O)N1CCc2[nH+]c(N3CCN(c4ccc(C)cc4)CC3)nc(N(C)C)c2C1	ZINC000034676810	555794727	/nfs/dbraw/zinc/79/47/27/555794727.db2.gz	PAZKDZQXXWFJOX-UHFFFAOYSA-N	1	2	435.576	2.431	50	30		IEEALO
CC[NH+](CC)c1ccc(N2/C(=N/C(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000015894435	556561907	/nfs/dbraw/zinc/56/19/07/556561907.db2.gz	ZJROHENWEBCPKV-XONKTAOPSA-N	1	2	437.587	2.313	50	30		IEEALO
COc1ccc(-c2nc(C#N)c(NCCCn3cc[nH+]c3)o2)cc1S(=O)(=O)N(C)C	ZINC000013724762	556717087	/nfs/dbraw/zinc/71/70/87/556717087.db2.gz	MPKUVZOYSUPHSE-UHFFFAOYSA-N	1	2	430.490	2.171	50	30		IEEALO
COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O	ZINC000020082143	556979071	/nfs/dbraw/zinc/97/90/71/556979071.db2.gz	XMAPQOCYVLLQFZ-HXUWFJFHSA-N	1	2	442.468	2.294	50	30		IEEALO
COc1ccc(NC(=NC(=O)c2ccc(F)cc2)NCC[NH+]2CCOCC2)cc1OC	ZINC000046134971	557041598	/nfs/dbraw/zinc/04/15/98/557041598.db2.gz	LPNHHOQPOUYJHY-UHFFFAOYSA-N	1	2	430.480	2.373	50	30		IEEALO
Cc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1F	ZINC000024147304	557138900	/nfs/dbraw/zinc/13/89/00/557138900.db2.gz	YLAUPUVTAPHFAC-DEOSSOPVSA-N	1	2	437.471	2.405	50	30		IEEALO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1F	ZINC000024147304	557138901	/nfs/dbraw/zinc/13/89/01/557138901.db2.gz	YLAUPUVTAPHFAC-DEOSSOPVSA-N	1	2	437.471	2.405	50	30		IEEALO
O=C(NC1=C(NCCC[NH+]2CCOCC2)C(=O)c2ccccc2C1=O)c1cccs1	ZINC000025326413	557204100	/nfs/dbraw/zinc/20/41/00/557204100.db2.gz	RVSILDVFJXNEBJ-UHFFFAOYSA-N	1	2	425.510	2.081	50	30		IEEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)c(C)n1	ZINC000102735750	557373288	/nfs/dbraw/zinc/37/32/88/557373288.db2.gz	XVMPWMBWIIRAKO-LFVOPCPISA-N	1	2	442.541	2.299	50	30		IEEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)c(C)n1	ZINC000102737830	557379914	/nfs/dbraw/zinc/37/99/14/557379914.db2.gz	SWMZPPRDSQFSDB-JBCNATCCSA-N	1	2	436.512	2.237	50	30		IEEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)c1	ZINC000102931940	557413104	/nfs/dbraw/zinc/41/31/04/557413104.db2.gz	XQYXANHVZBFSPN-MRJHHRETSA-N	1	2	437.496	2.234	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000020102536	569333930	/nfs/dbraw/zinc/33/39/30/569333930.db2.gz	OSWNHGHSTIBOEA-IBGZPJMESA-N	1	2	441.440	2.488	50	30		IEEALO
C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)C1	ZINC000096126940	569385731	/nfs/dbraw/zinc/38/57/31/569385731.db2.gz	APAHUNSJKFSESO-IRXDYDNUSA-N	1	2	443.617	2.169	50	30		IEEALO
COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000008817732	569476908	/nfs/dbraw/zinc/47/69/08/569476908.db2.gz	ZZQDMYOSCYDGJN-NHFXJNLRSA-N	1	2	426.469	2.432	50	30		IEEALO
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000008901302	569484276	/nfs/dbraw/zinc/48/42/76/569484276.db2.gz	BMZAYSUMBLYOAK-JBCNATCCSA-N	1	2	437.496	2.234	50	30		IEEALO
COc1ccc(-c2csc(C3=C(N)N(CCC[NH+]4CCOCC4)CC3=O)n2)cc1OC	ZINC000008991342	569495261	/nfs/dbraw/zinc/49/52/61/569495261.db2.gz	DNPILJLJMHSRKM-UHFFFAOYSA-N	1	2	444.557	2.062	50	30		IEEALO
C=CCNC(=O)N1CC[NH+]([C@H](C(=O)NCCc2ccccc2OC)C2CCCC2)CC1	ZINC000036310658	518905624	/nfs/dbraw/zinc/90/56/24/518905624.db2.gz	DKWMLPWOMZUCJS-QFIPXVFZSA-N	1	2	428.577	2.426	50	30		IEEALO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](CC(=O)N3CCCCC3)CC2)c1	ZINC000022911895	524407865	/nfs/dbraw/zinc/40/78/65/524407865.db2.gz	KQPMUBLHYKHRHX-UHFFFAOYSA-N	1	2	425.577	2.180	50	30		IEEALO
COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C3=CC(=O)CC(C)(C)O3)C2)CC1	ZINC000055153480	524562139	/nfs/dbraw/zinc/56/21/39/524562139.db2.gz	DLCGYCKAFGWQDW-SFHVURJKSA-N	1	2	427.545	2.460	50	30		IEEALO
Cc1c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cnn1C	ZINC000036612380	525926937	/nfs/dbraw/zinc/92/69/37/525926937.db2.gz	XYEYXKPPCVQODA-SFHVURJKSA-N	1	2	430.530	2.091	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1	ZINC000013693413	526482437	/nfs/dbraw/zinc/48/24/37/526482437.db2.gz	NZWZAEGYJQBHTR-HXUWFJFHSA-N	1	2	442.491	2.466	50	30		IEEALO
COc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000102543768	557348474	/nfs/dbraw/zinc/34/84/74/557348474.db2.gz	VEYXOCNRPUAVSS-JBCNATCCSA-N	1	2	437.496	2.234	50	30		IEEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccn1)c1ccc(F)cc1	ZINC000102707419	557367287	/nfs/dbraw/zinc/36/72/87/557367287.db2.gz	ZQGMLLVMRUONCE-NHFXJNLRSA-N	1	2	425.460	2.365	50	30		IEEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1	ZINC000102746228	557378464	/nfs/dbraw/zinc/37/84/64/557378464.db2.gz	SSHFZSQJHRTPIO-JBCNATCCSA-N	1	2	438.528	2.181	50	30		IEEALO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1	ZINC000102751777	557383093	/nfs/dbraw/zinc/38/30/93/557383093.db2.gz	ZETOWEXRFHRACD-YDJIHCHBSA-N	1	2	442.491	2.310	50	30		IEEALO
O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102927716	557410540	/nfs/dbraw/zinc/41/05/40/557410540.db2.gz	JDQNXTADTNCMJZ-LFVOPCPISA-N	1	2	441.440	2.332	50	30		IEEALO
CCCCCCCCN1C(=O)C(=C(C)NCCCN2CC[NH+](C)CC2)C(=O)NC1=S	ZINC000104945676	557466321	/nfs/dbraw/zinc/46/63/21/557466321.db2.gz	ZBLDRXJSADRBRK-VHEBQXMUSA-N	1	2	437.654	2.091	50	30		IEEALO
C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)C1	ZINC000096126941	569385772	/nfs/dbraw/zinc/38/57/72/569385772.db2.gz	APAHUNSJKFSESO-IAGOWNOFSA-N	1	2	443.617	2.169	50	30		IEEALO