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(Cl)cc1)c1cc2ccccc2cc1[O-]	ZINC000000291003	169598724	/nfs/dbraw/zinc/59/87/24/169598724.db2.gz	OHAXNCGNVGGWSO-UHFFFAOYSA-N	-1	1	297.741	4.451	50	0		CIAAMM
CC(C)Cn1c(=S)[n-]nc1C12CC3CC(CC(C3)C1)C2	ZINC000004990923	170050612	/nfs/dbraw/zinc/05/06/12/170050612.db2.gz	PNDYBJIWNXIUAG-UHFFFAOYSA-N	-1	1	291.464	4.064	50	0		CIAAMM
S=c1[n-]nc(CC23CC4CC(CC(C4)C2)C3)n1C1CC1	ZINC000006855110	170249394	/nfs/dbraw/zinc/24/93/94/170249394.db2.gz	PCUDJWNNVBJSGB-UHFFFAOYSA-N	-1	1	289.448	4.034	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1csc2ccccc12	ZINC000078350959	177334602	/nfs/dbraw/zinc/33/46/02/177334602.db2.gz	RKHVXLKCPTUUBP-BJMVGYQFSA-N	-1	1	277.395	4.230	50	0		CIAAMM
[O-]c1cc(F)ccc1-c1ccnn1-c1ccc(Cl)cc1	ZINC000116715334	567093556	/nfs/dbraw/zinc/09/35/56/567093556.db2.gz	BSESSSOJSOJMBQ-UHFFFAOYSA-N	-1	1	288.709	4.037	50	0		CIAAMM
Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1	ZINC000000291002	570387504	/nfs/dbraw/zinc/38/75/04/570387504.db2.gz	OREAWEBREZGCOJ-UHFFFAOYSA-N	-1	1	277.323	4.106	50	0		CIAAMM
CCCCn1c(=S)[n-]nc1C12CC3CC(CC(C3)C1)C2	ZINC000004993637	170051862	/nfs/dbraw/zinc/05/18/62/170051862.db2.gz	VTQUECJSDSOCMA-UHFFFAOYSA-N	-1	1	291.464	4.209	50	0		CIAAMM
CCn1c(=S)[n-]nc1[C@@H](C)Oc1ccc(C(C)C)cc1	ZINC000006490126	170206012	/nfs/dbraw/zinc/20/60/12/170206012.db2.gz	JBONYLBMKFNALQ-LLVKDONJSA-N	-1	1	291.420	4.224	50	0		CIAAMM
CCc1ccccc1[N-]c1nc(-c2ccc(OC)cc2)no1	ZINC000020861619	171276438	/nfs/dbraw/zinc/27/64/38/171276438.db2.gz	KTAZHHMURWFXQG-UHFFFAOYSA-N	-1	1	295.342	4.051	50	0		CIAAMM
CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000383664	567828046	/nfs/dbraw/zinc/82/80/46/567828046.db2.gz	ORSZQVIAVQPTFX-CYBMUJFWSA-N	-1	1	289.400	4.001	50	0		CIAAMM
Fc1cccc(-c2n[n-]c(=S)n2C2CCCCC2)c1	ZINC000020437942	567880874	/nfs/dbraw/zinc/88/08/74/567880874.db2.gz	JBXWSAVDRIGZEB-UHFFFAOYSA-N	-1	1	277.368	4.252	50	0		CIAAMM
CCCN(C(=O)OC(C)(C)C)c1ccc([O-])c(Cl)c1	ZINC000261494170	190039618	/nfs/dbraw/zinc/03/96/18/190039618.db2.gz	RJQQXVFDMZIVJD-UHFFFAOYSA-N	-1	1	285.771	4.197	50	0		CIAAMM
CCCc1cc(-c2n[n-]c(=S)n2CCC)cs1	ZINC000002569131	169810820	/nfs/dbraw/zinc/81/08/20/169810820.db2.gz	QAIPNROHLSYNDJ-UHFFFAOYSA-N	-1	1	267.423	4.032	50	0		CIAAMM
CCCCn1c(=S)[n-]nc1-c1csc(CCC)c1	ZINC000005898042	170152182	/nfs/dbraw/zinc/15/21/82/170152182.db2.gz	NSQOMZQFSFJLBA-UHFFFAOYSA-N	-1	1	281.450	4.422	50	0		CIAAMM
CCn1c(=S)[n-]nc1C(c1ccccc1)c1ccccc1	ZINC000018137757	170743610	/nfs/dbraw/zinc/74/36/10/170743610.db2.gz	TYBLXIIXOUHMOX-UHFFFAOYSA-N	-1	1	295.411	4.141	50	0		CIAAMM
CC(C)c1cc(-c2n[n-]c(=S)n2C(C)C)cs1	ZINC000002569136	567848471	/nfs/dbraw/zinc/84/84/71/567848471.db2.gz	JQOCQTDFMPAZMM-UHFFFAOYSA-N	-1	1	267.423	4.373	50	0		CIAAMM
Cc1ccccc1NC(=O)c1c([O-])ccc2ccccc21	ZINC000000395086	567053373	/nfs/dbraw/zinc/05/33/73/567053373.db2.gz	JBTHNODWOGCYQF-UHFFFAOYSA-N	-1	1	277.323	4.106	50	0		CIAAMM
S=c1[n-]nc(-c2ccccc2)n1C1CCCCC1	ZINC000000276473	567823560	/nfs/dbraw/zinc/82/35/60/567823560.db2.gz	VTLLUDFHDJESNU-UHFFFAOYSA-N	-1	1	259.378	4.113	50	0		CIAAMM
[O-]c1ccc(Cl)cc1-c1cc(-c2ccccc2)no1	ZINC000001199965	567887724	/nfs/dbraw/zinc/88/77/24/567887724.db2.gz	XSMTZFRIVPTJFM-UHFFFAOYSA-N	-1	1	271.703	4.368	50	0		CIAAMM
C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccs1	ZINC000017842089	567937450	/nfs/dbraw/zinc/93/74/50/567937450.db2.gz	NGZNBZAQRZEXIS-NSHDSACASA-N	-1	1	297.379	4.098	50	0		CIAAMM
Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1C	ZINC000002881173	567937839	/nfs/dbraw/zinc/93/78/39/567937839.db2.gz	GHNALHYESXNZSA-UHFFFAOYSA-N	-1	1	291.350	4.415	50	0		CIAAMM
CC(C)(C)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000017007863	570226777	/nfs/dbraw/zinc/22/67/77/570226777.db2.gz	VSDUUCKOLAQMBN-FLIBITNWSA-N	-1	1	277.414	4.313	50	0		CIAAMM
CCCCn1c(=S)[n-]nc1-c1csc(C)c1C	ZINC000005898059	170152157	/nfs/dbraw/zinc/15/21/57/170152157.db2.gz	QURAUJJISXEDFW-UHFFFAOYSA-N	-1	1	267.423	4.086	50	0		CIAAMM
CC(C)Cn1c(=S)[n-]nc1-c1csc(C(C)C)c1	ZINC000006493089	170206650	/nfs/dbraw/zinc/20/66/50/170206650.db2.gz	AUJDGTAHXHTKIE-UHFFFAOYSA-N	-1	1	281.450	4.449	50	0		CIAAMM
CCn1c(CSCc2ccc(Cl)cc2)n[n-]c1=S	ZINC000015924012	170682158	/nfs/dbraw/zinc/68/21/58/170682158.db2.gz	ISVGGRSILMGTHA-UHFFFAOYSA-N	-1	1	299.852	4.047	50	0		CIAAMM
CCc1cccc([N-]c2nc(-c3ccccc3)no2)c1	ZINC000015770745	566895302	/nfs/dbraw/zinc/89/53/02/566895302.db2.gz	UAVXNIDCQVVSDS-UHFFFAOYSA-N	-1	1	265.316	4.043	50	0		CIAAMM
Cc1ccc(SCc2nnc([N-]c3ccccc3)o2)cc1	ZINC000080346085	567128915	/nfs/dbraw/zinc/12/89/15/567128915.db2.gz	UREXTLFDKKPBHY-UHFFFAOYSA-N	-1	1	297.383	4.414	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1cccc2ccccc12	ZINC000002526630	567847835	/nfs/dbraw/zinc/84/78/35/567847835.db2.gz	KHWBBJGNDBRXEW-XYOKQWHBSA-N	-1	1	271.366	4.169	50	0		CIAAMM
CC(C)n1c(=S)[n-]nc1-c1csc2ccccc12	ZINC000002569160	567848455	/nfs/dbraw/zinc/84/84/55/567848455.db2.gz	JIFWDSDGZQBKEZ-UHFFFAOYSA-N	-1	1	275.402	4.403	50	0		CIAAMM
CCCCn1c(=S)[n-]nc1-c1csc(C)c1CC	ZINC000004652195	567858676	/nfs/dbraw/zinc/85/86/76/567858676.db2.gz	MLNOITCKFXBSCF-UHFFFAOYSA-N	-1	1	281.450	4.340	50	0		CIAAMM
Cc1occc1-c1n[n-]c(=S)n1[C@@H](C)c1ccccc1	ZINC000002772061	567860482	/nfs/dbraw/zinc/86/04/82/567860482.db2.gz	VJLHOKCZFFKOTM-JTQLQIEISA-N	-1	1	285.372	4.118	50	0		CIAAMM
Cc1ccsc1-c1n[n-]c(=S)n1C1CCCCC1	ZINC000013145033	567865266	/nfs/dbraw/zinc/86/52/66/567865266.db2.gz	DMEDKLIIKCQDGI-UHFFFAOYSA-N	-1	1	279.434	4.483	50	0		CIAAMM
CC(C)Cn1c(=S)[n-]nc1-c1csc2ccccc12	ZINC000013111461	567941262	/nfs/dbraw/zinc/94/12/62/567941262.db2.gz	XBPJRLOTGOHRGX-UHFFFAOYSA-N	-1	1	289.429	4.478	50	0		CIAAMM
CCCCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000002678032	566914255	/nfs/dbraw/zinc/91/42/55/566914255.db2.gz	KKXCNLPOQHINCO-FMIVXFBMSA-N	-1	1	293.413	4.195	50	0		CIAAMM
O=C(c1ccc([O-])cc1)c1ccc(Oc2ccccc2)cc1	ZINC000039374207	567050334	/nfs/dbraw/zinc/05/03/34/567050334.db2.gz	SBOGNWOCCNXJHZ-UHFFFAOYSA-N	-1	1	290.318	4.416	50	0		CIAAMM
COc1ccc(-c2n[n-]c(=S)n2C2CCCCC2)cc1	ZINC000000080451	567817783	/nfs/dbraw/zinc/81/77/83/567817783.db2.gz	NSAJUYMRPAVLGA-UHFFFAOYSA-N	-1	1	289.404	4.121	50	0		CIAAMM
CCn1c(=S)[n-]nc1[C@H](C)Oc1ccc(C(C)C)cc1	ZINC000002526642	567847859	/nfs/dbraw/zinc/84/78/59/567847859.db2.gz	JBONYLBMKFNALQ-NSHDSACASA-N	-1	1	291.420	4.224	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(Cl)c(Cl)c1	ZINC000002536847	567847886	/nfs/dbraw/zinc/84/78/86/567847886.db2.gz	ZLJFJFLVZUHVOW-XBXARRHUSA-N	-1	1	290.196	4.323	50	0		CIAAMM
O=C(Nc1ccccc1Cl)c1cc2ccccc2cc1[O-]	ZINC000002556927	567848068	/nfs/dbraw/zinc/84/80/68/567848068.db2.gz	KLNUTTQQHSRBIE-UHFFFAOYSA-N	-1	1	297.741	4.451	50	0		CIAAMM
Cc1cc(-c2n[n-]c(=S)n2Cc2ccccc2)cs1	ZINC000013111464	567864761	/nfs/dbraw/zinc/86/47/61/567864761.db2.gz	DIALLAJNMSGYRS-UHFFFAOYSA-N	-1	1	287.413	4.026	50	0		CIAAMM
CC(C)COc1ccccc1C=C1SC(=S)[N-]C1=O	ZINC000015933438	567871793	/nfs/dbraw/zinc/87/17/93/567871793.db2.gz	ARDDFMTZKQMGBZ-KPKJPENVSA-N	-1	1	293.413	4.051	50	0		CIAAMM
C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1	ZINC000012798755	567940846	/nfs/dbraw/zinc/94/08/46/567940846.db2.gz	IZPDSWRHLKVSEQ-ZDUSSCGKSA-N	-1	1	291.350	4.036	50	0		CIAAMM
CC[C@@H](Oc1ccc(C)c(C)c1)c1n[n-]c(=S)n1CC	ZINC000006707595	170230948	/nfs/dbraw/zinc/23/09/48/170230948.db2.gz	SCRWIDQJZQPZRP-CYBMUJFWSA-N	-1	1	291.420	4.108	50	0		CIAAMM
CC(C)n1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1	ZINC000008680976	170345138	/nfs/dbraw/zinc/34/51/38/170345138.db2.gz	DAEFPNAAMHBGJW-UHFFFAOYSA-N	-1	1	275.421	4.486	50	0		CIAAMM
CCCCCc1c(C)nc(Nc2ccc(C)cc2C)[n-]c1=O	ZINC000008969209	170359774	/nfs/dbraw/zinc/35/97/74/170359774.db2.gz	VTPXMWNZDVULRP-UHFFFAOYSA-N	-1	1	299.418	4.171	50	0		CIAAMM
C[C@H]1C[C@H](C)CN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC000020413088	171183180	/nfs/dbraw/zinc/18/31/80/171183180.db2.gz	PTMMQQMTONESQM-UWVGGRQHSA-N	-1	1	288.218	4.177	50	0		CIAAMM
CCc1cccc([N-]c2nc(-c3ccc(OC)cc3)no2)c1	ZINC000021158333	171298571	/nfs/dbraw/zinc/29/85/71/171298571.db2.gz	WDGNPFLCAMDALU-UHFFFAOYSA-N	-1	1	295.342	4.051	50	0		CIAAMM
CC(C)(C)P(c1cccc(C(=O)[O-])c1)C(C)(C)C	ZINC000022611975	171394328	/nfs/dbraw/zinc/39/43/28/171394328.db2.gz	RTRJRAZYROADJH-UHFFFAOYSA-N	-1	1	266.321	4.089	50	0		CIAAMM
Cc1ccc(C(=O)c2c[n-]c3cc(Cl)ccc3c2=O)cc1	ZINC000067340912	567197285	/nfs/dbraw/zinc/19/72/85/567197285.db2.gz	TUMLIIQPCPUFMW-UHFFFAOYSA-N	-1	1	297.741	4.133	50	0		CIAAMM
CC(C)=CCc1c([O-])ccc(C(=O)Cc2ccccc2)c1O	ZINC000000481579	567832548	/nfs/dbraw/zinc/83/25/48/567832548.db2.gz	QCSUTZFIHSEGOO-UHFFFAOYSA-N	-1	1	296.366	4.032	50	0		CIAAMM
Cc1ccccc1-c1n[n-]c(=S)n1C1CCCCC1	ZINC000001293716	567836642	/nfs/dbraw/zinc/83/66/42/567836642.db2.gz	GPNAWSRBDFQIOA-UHFFFAOYSA-N	-1	1	273.405	4.421	50	0		CIAAMM
CCCCCC1CCC(c2n[n-]c(=S)n2C)CC1	ZINC000013144171	567865432	/nfs/dbraw/zinc/86/54/32/567865432.db2.gz	GSSBHFLULCGMNG-UHFFFAOYSA-N	-1	1	267.442	4.332	50	0		CIAAMM
Fc1ccccc1-c1n[n-]c(=S)n1C1CCCCC1	ZINC000006438579	170201535	/nfs/dbraw/zinc/20/15/35/170201535.db2.gz	KXGNWCJFEFTKBC-UHFFFAOYSA-N	-1	1	277.368	4.252	50	0		CIAAMM
Cc1ccc([N-]c2nc(-c3ccccc3F)no2)cc1F	ZINC000071928098	176302197	/nfs/dbraw/zinc/30/21/97/176302197.db2.gz	LHGVQCCCGZTQKA-UHFFFAOYSA-N	-1	1	287.269	4.067	50	0		CIAAMM
CCc1cccc(C)c1NCc1cc(F)c([O-])c(F)c1	ZINC000094347536	566936004	/nfs/dbraw/zinc/93/60/04/566936004.db2.gz	LWCKXAWPKOAWJF-UHFFFAOYSA-N	-1	1	277.314	4.153	50	0		CIAAMM
O=C(Nc1cccc(Cl)c1)c1cc2ccccc2cc1[O-]	ZINC000000247780	567822953	/nfs/dbraw/zinc/82/29/53/567822953.db2.gz	CUTAMZZNECWJOY-UHFFFAOYSA-N	-1	1	297.741	4.451	50	0		CIAAMM
CC(C)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000002536882	567847739	/nfs/dbraw/zinc/84/77/39/567847739.db2.gz	ZLKBBUUMEJPMIP-YRNVUSSQSA-N	-1	1	263.387	4.139	50	0		CIAAMM
Cc1occc1-c1n[n-]c(=S)n1[C@H](C)c1ccccc1	ZINC000002772062	567860357	/nfs/dbraw/zinc/86/03/57/567860357.db2.gz	VJLHOKCZFFKOTM-SNVBAGLBSA-N	-1	1	285.372	4.118	50	0		CIAAMM
S=c1[n-]nc(-c2cccs2)n1C1CCCCC1	ZINC000013658381	567866747	/nfs/dbraw/zinc/86/67/47/567866747.db2.gz	AOXGLLSRMBLBSO-UHFFFAOYSA-N	-1	1	265.407	4.174	50	0		CIAAMM
O=C(C=C(O)c1ccccc1)c1ccc2ccccc2c1[O-]	ZINC000100476725	567927706	/nfs/dbraw/zinc/92/77/06/567927706.db2.gz	SIVIDNLTOXSUIX-UHFFFAOYSA-N	-1	1	290.318	4.001	50	0		CIAAMM
C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1	ZINC000012798751	567940815	/nfs/dbraw/zinc/94/08/15/567940815.db2.gz	IZPDSWRHLKVSEQ-CYBMUJFWSA-N	-1	1	291.350	4.036	50	0		CIAAMM
CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc([O-])cc1O2	ZINC000011766616	570220758	/nfs/dbraw/zinc/22/07/58/570220758.db2.gz	PGBWLTVDGGWTEE-UHFFFAOYSA-N	-1	1	288.387	4.333	50	0		CIAAMM
S=c1[n-]nc(Cc2cccs2)n1C1CCCCC1	ZINC000006438224	170201530	/nfs/dbraw/zinc/20/15/30/170201530.db2.gz	WOGBURNHLMDEBL-UHFFFAOYSA-N	-1	1	279.434	4.098	50	0		CIAAMM
CCc1c(C)scc1-c1n[n-]c(=S)n1CC(C)C	ZINC000006519530	170208953	/nfs/dbraw/zinc/20/89/53/170208953.db2.gz	DFAXOLBTMACEGC-UHFFFAOYSA-N	-1	1	281.450	4.196	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1cccc(Cl)c1Cl	ZINC000002536845	567847895	/nfs/dbraw/zinc/84/78/95/567847895.db2.gz	JMNPBVGLEZGPIF-QPJJXVBHSA-N	-1	1	290.196	4.323	50	0		CIAAMM
CC(C)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000017023346	567874440	/nfs/dbraw/zinc/87/44/40/567874440.db2.gz	CSQOGPWVIWZOOG-GHXNOFRVSA-N	-1	1	293.413	4.051	50	0		CIAAMM
CCOc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O	ZINC000017024873	567874680	/nfs/dbraw/zinc/87/46/80/567874680.db2.gz	FWMYEYGAMZTVQD-POHAHGRESA-N	-1	1	299.804	4.068	50	0		CIAAMM
CC(C)C[N-]C(=S)Oc1ccc(-c2ccccc2)cc1	ZINC000001029408	567931978	/nfs/dbraw/zinc/93/19/78/567931978.db2.gz	MHAALWQGEFAXPF-UHFFFAOYSA-N	-1	1	285.412	4.263	50	0		CIAAMM
CC(C)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000016990654	570225885	/nfs/dbraw/zinc/22/58/85/570225885.db2.gz	ZLKBBUUMEJPMIP-XFFZJAGNSA-N	-1	1	263.387	4.139	50	0		CIAAMM
CCCCc1cc(=O)[n-]c(Nc2cccc3ccccc32)n1	ZINC000041597086	570404202	/nfs/dbraw/zinc/40/42/02/570404202.db2.gz	YIUAIWRBQCBELN-UHFFFAOYSA-N	-1	1	293.370	4.009	50	0		CIAAMM
[O-]c1ccc(Cl)cc1-c1nc2ccccc2s1	ZINC000000226209	169580265	/nfs/dbraw/zinc/58/02/65/169580265.db2.gz	NTSGEVXMOPCWCT-UHFFFAOYSA-N	-1	1	261.733	4.322	50	0		CIAAMM
CC(C)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000002536798	169805113	/nfs/dbraw/zinc/80/51/13/169805113.db2.gz	CSQOGPWVIWZOOG-KPKJPENVSA-N	-1	1	293.413	4.051	50	0		CIAAMM
CC[C@H](Oc1ccc(C)c(C)c1)c1n[n-]c(=S)n1CC	ZINC000006706784	170230901	/nfs/dbraw/zinc/23/09/01/170230901.db2.gz	SCRWIDQJZQPZRP-ZDUSSCGKSA-N	-1	1	291.420	4.108	50	0		CIAAMM
CC(C)(C)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000002536883	567847752	/nfs/dbraw/zinc/84/77/52/567847752.db2.gz	VSDUUCKOLAQMBN-DHZHZOJOSA-N	-1	1	277.414	4.313	50	0		CIAAMM
Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1	ZINC000000235671	567822561	/nfs/dbraw/zinc/82/25/61/567822561.db2.gz	NBBZFRCZVJXXHT-UHFFFAOYSA-N	-1	1	277.323	4.106	50	0		CIAAMM
Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])c(C)c1	ZINC000000295767	567824267	/nfs/dbraw/zinc/82/42/67/567824267.db2.gz	VTPSNRIENVXKCI-UHFFFAOYSA-N	-1	1	291.350	4.415	50	0		CIAAMM
S=c1[n-]nc(COc2ccccc2)n1C1CCCCC1	ZINC000018136995	567876626	/nfs/dbraw/zinc/87/66/26/567876626.db2.gz	TUFSOGPLRUAVHM-UHFFFAOYSA-N	-1	1	289.404	4.025	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1csc2ccccc12	ZINC000084593125	570252935	/nfs/dbraw/zinc/25/29/35/570252935.db2.gz	RKHVXLKCPTUUBP-YHYXMXQVSA-N	-1	1	277.395	4.230	50	0		CIAAMM
CC(C)Cn1c(=S)[n-]nc1-c1csc2c1CCCC2	ZINC000006493094	170206792	/nfs/dbraw/zinc/20/67/92/170206792.db2.gz	MJQOCJHPWFEGNY-UHFFFAOYSA-N	-1	1	293.461	4.204	50	0		CIAAMM
C[C@@H]1C[C@H](C)CN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC000020413084	171183461	/nfs/dbraw/zinc/18/34/61/171183461.db2.gz	PTMMQQMTONESQM-AOOOYVTPSA-N	-1	1	288.218	4.177	50	0		CIAAMM
COc1ccccc1Sc1cc([O-])c(C=O)c(Cl)c1	ZINC000035287503	172104958	/nfs/dbraw/zinc/10/49/58/172104958.db2.gz	OPNCUNDVFQRSDF-UHFFFAOYSA-N	-1	1	294.759	4.018	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1c(Cl)cccc1Cl	ZINC000001839809	567843576	/nfs/dbraw/zinc/84/35/76/567843576.db2.gz	OTZKWVOYXVTTIH-XBXARRHUSA-N	-1	1	290.196	4.323	50	0		CIAAMM
CCn1c(=S)[n-]nc1[C@H](C)Oc1ccc(Cl)c(C)c1	ZINC000002532696	567847765	/nfs/dbraw/zinc/84/77/65/567847765.db2.gz	YXZVMCVOVBHZIZ-VIFPVBQESA-N	-1	1	297.811	4.062	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(C(F)(F)F)cc1	ZINC000003141279	169860070	/nfs/dbraw/zinc/86/00/70/169860070.db2.gz	ZXSOIGQCMUHMHG-VMPITWQZSA-N	-1	1	289.303	4.035	50	0		CIAAMM
Cc1cc(C)cc([N-]c2nc(-c3ccccc3F)no2)c1	ZINC000071928169	176302141	/nfs/dbraw/zinc/30/21/41/176302141.db2.gz	SFYPTLKXFVGMMD-UHFFFAOYSA-N	-1	1	283.306	4.236	50	0		CIAAMM
Cc1ccc(-c2cc([O-])cc3sc(=O)oc32)cc1Cl	ZINC000000106778	567818389	/nfs/dbraw/zinc/81/83/89/567818389.db2.gz	XQKXEIUMCIPPBU-UHFFFAOYSA-N	-1	1	292.743	4.189	50	0		CIAAMM
CCCc1ccc(OC(=O)c2ccc([O-])cc2Cl)cc1	ZINC000000225530	567822581	/nfs/dbraw/zinc/82/25/81/567822581.db2.gz	KLRCTKSAAPBESE-UHFFFAOYSA-N	-1	1	290.746	4.217	50	0		CIAAMM
S=c1[n-]nc(Cc2ccccc2)n1C1CCCCC1	ZINC000000239070	567823004	/nfs/dbraw/zinc/82/30/04/567823004.db2.gz	RLEQSONBQYPRBC-UHFFFAOYSA-N	-1	1	273.405	4.037	50	0		CIAAMM
CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000383665	567827982	/nfs/dbraw/zinc/82/79/82/567827982.db2.gz	ORSZQVIAVQPTFX-ZDUSSCGKSA-N	-1	1	289.400	4.001	50	0		CIAAMM
Cc1cccc(-c2n[n-]c(=S)n2C2CCCCC2)c1	ZINC000000874811	567835133	/nfs/dbraw/zinc/83/51/33/567835133.db2.gz	NJGNFQGRCYDKQB-UHFFFAOYSA-N	-1	1	273.405	4.421	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1ccccc1C(F)(F)F	ZINC000015933450	567871851	/nfs/dbraw/zinc/87/18/51/567871851.db2.gz	YAFQKXSDJFTZRD-VMPITWQZSA-N	-1	1	289.303	4.035	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(Cl)c(Cl)c1	ZINC000017022326	567874677	/nfs/dbraw/zinc/87/46/77/567874677.db2.gz	ZLJFJFLVZUHVOW-YWEYNIOJSA-N	-1	1	290.196	4.323	50	0		CIAAMM
CCCCCCc1c(C)c2c([O-])cc(C)cc2oc1=O	ZINC000030819542	567884791	/nfs/dbraw/zinc/88/47/91/567884791.db2.gz	UCWAUUXKPHJRAK-UHFFFAOYSA-N	-1	1	274.360	4.238	50	0		CIAAMM
CCCCn1c2ccccc2c([O-])c(-c2ccccc2)c1=O	ZINC000100294426	567912702	/nfs/dbraw/zinc/91/27/02/567912702.db2.gz	BITGZPFCMXYHLN-UHFFFAOYSA-N	-1	1	293.366	4.174	50	0		CIAAMM
CCc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1	ZINC000002880718	567937893	/nfs/dbraw/zinc/93/78/93/567937893.db2.gz	BUWFSSGWPXVAOC-UHFFFAOYSA-N	-1	1	291.350	4.360	50	0		CIAAMM
CCCCn1c(=S)[n-]nc1-c1csc(CC)c1	ZINC000005898034	170152095	/nfs/dbraw/zinc/15/20/95/170152095.db2.gz	FXEKREULHAMJSA-UHFFFAOYSA-N	-1	1	267.423	4.032	50	0		CIAAMM
Cc1occc1-c1n[n-]c(=S)n1C1CCCCC1	ZINC000006825212	170246947	/nfs/dbraw/zinc/24/69/47/170246947.db2.gz	NVLHKLSJTULKQC-UHFFFAOYSA-N	-1	1	263.366	4.014	50	0		CIAAMM
Cc1ccccc1NC(=O)c1cc2ccccc2cc1[O-]	ZINC000000235673	567822647	/nfs/dbraw/zinc/82/26/47/567822647.db2.gz	FBLAHUMENIHUGG-UHFFFAOYSA-N	-1	1	277.323	4.106	50	0		CIAAMM
Cc1ccc(-c2n[n-]c(=S)n2C2CCCCC2)cc1	ZINC000001241576	567836466	/nfs/dbraw/zinc/83/64/66/567836466.db2.gz	HGVMNKOYSRHZSD-UHFFFAOYSA-N	-1	1	273.405	4.421	50	0		CIAAMM
C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccs1	ZINC000017842088	567937324	/nfs/dbraw/zinc/93/73/24/567937324.db2.gz	NGZNBZAQRZEXIS-LLVKDONJSA-N	-1	1	297.379	4.098	50	0		CIAAMM
CCCc1cc(-c2n[n-]c(=S)n2CC(C)C)cs1	ZINC000006493359	170206523	/nfs/dbraw/zinc/20/65/23/170206523.db2.gz	KITJLERJQDBUHH-UHFFFAOYSA-N	-1	1	281.450	4.278	50	0		CIAAMM
CCn1c(=S)[n-]nc1[C@@H](C)Oc1ccc(Cl)c(C)c1	ZINC000006635286	170220859	/nfs/dbraw/zinc/22/08/59/170220859.db2.gz	YXZVMCVOVBHZIZ-SECBINFHSA-N	-1	1	297.811	4.062	50	0		CIAAMM
Cc1ccc(SCc2cc(=O)oc3cc([O-])ccc23)cc1	ZINC000000127659	567818924	/nfs/dbraw/zinc/81/89/24/567818924.db2.gz	GAMBGEKLOJDMAD-UHFFFAOYSA-N	-1	1	298.363	4.099	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc2ccccc2c1	ZINC000002536874	567847677	/nfs/dbraw/zinc/84/76/77/567847677.db2.gz	ATGWUPYXIYFRKP-XYOKQWHBSA-N	-1	1	271.366	4.169	50	0		CIAAMM
CCCc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1	ZINC000003892443	567854193	/nfs/dbraw/zinc/85/41/93/567854193.db2.gz	KTCCKTVURXXFNT-UHFFFAOYSA-N	-1	1	280.323	4.118	50	0		CIAAMM
COc1ccccc1-c1n[n-]c(=S)n1C1CCCCC1	ZINC000017971902	567875960	/nfs/dbraw/zinc/87/59/60/567875960.db2.gz	WJILUVXAUVDBOY-UHFFFAOYSA-N	-1	1	289.404	4.121	50	0		CIAAMM
[O-]c1c(F)cc(F)cc1-c1ccc(F)c2cccnc21	ZINC000426395885	567908163	/nfs/dbraw/zinc/90/81/63/567908163.db2.gz	ABZGMMOGVIPBQA-UHFFFAOYSA-N	-1	1	275.229	4.025	50	0		CIAAMM
Cc1ccc(C(=O)c2c[n-]c3ccc(Cl)cc3c2=O)cc1	ZINC000002601969	570396985	/nfs/dbraw/zinc/39/69/85/570396985.db2.gz	QGJAUMFUPBPNJF-UHFFFAOYSA-N	-1	1	297.741	4.133	50	0		CIAAMM
Cc1ccc(C(=O)c2cnc3ccc(Cl)cc3c2[O-])cc1	ZINC000002601969	570396987	/nfs/dbraw/zinc/39/69/87/570396987.db2.gz	QGJAUMFUPBPNJF-UHFFFAOYSA-N	-1	1	297.741	4.133	50	0		CIAAMM
CCOc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O	ZINC000002536810	169805122	/nfs/dbraw/zinc/80/51/22/169805122.db2.gz	FWMYEYGAMZTVQD-UXBLZVDNSA-N	-1	1	299.804	4.068	50	0		CIAAMM
CCCCCCn1c(=S)[n-]nc1-c1cccs1	ZINC000006172775	170180378	/nfs/dbraw/zinc/18/03/78/170180378.db2.gz	VFXXQDUIKBULRC-UHFFFAOYSA-N	-1	1	267.423	4.249	50	0		CIAAMM
C[C@@H]1C[C@@H](C)CN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC000020413081	171183453	/nfs/dbraw/zinc/18/34/53/171183453.db2.gz	PTMMQQMTONESQM-NXEZZACHSA-N	-1	1	288.218	4.177	50	0		CIAAMM
CCc1ccccc1NC(=O)c1cc2ccccc2cc1[O-]	ZINC000000120220	567818839	/nfs/dbraw/zinc/81/88/39/567818839.db2.gz	SVJPZKBLNJTZNY-UHFFFAOYSA-N	-1	1	291.350	4.360	50	0		CIAAMM
CCc1c(C)scc1-c1n[n-]c(=S)n1C(C)C	ZINC000002569142	567848428	/nfs/dbraw/zinc/84/84/28/567848428.db2.gz	IUTDFVXNYJWPIM-UHFFFAOYSA-N	-1	1	267.423	4.121	50	0		CIAAMM
CCCCCCSc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000004438619	567857875	/nfs/dbraw/zinc/85/78/75/567857875.db2.gz	HFHMBKMEJDQTDD-UHFFFAOYSA-N	-1	1	288.416	4.109	50	0		CIAAMM
CCCCn1c(=S)[n-]nc1-c1csc2c1CCCC2	ZINC000013132701	567865398	/nfs/dbraw/zinc/86/53/98/567865398.db2.gz	SVWIIRUCJGMRDH-UHFFFAOYSA-N	-1	1	293.461	4.348	50	0		CIAAMM
Cc1cc(Nc2ccccc2C(=O)[O-])c2cccc(C)c2n1	ZINC000020058104	567880981	/nfs/dbraw/zinc/88/09/81/567880981.db2.gz	CIRYGTSWCNPTOU-UHFFFAOYSA-N	-1	1	292.338	4.293	50	0		CIAAMM
Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1C	ZINC000000031383	567905704	/nfs/dbraw/zinc/90/57/04/567905704.db2.gz	QQJZWTLAVYMEEW-UHFFFAOYSA-N	-1	1	291.350	4.415	50	0		CIAAMM
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1[O-]	ZINC000002990895	567937837	/nfs/dbraw/zinc/93/78/37/567937837.db2.gz	VVTOJRWAXHPZMC-UHFFFAOYSA-N	-1	1	289.334	4.312	50	0		CIAAMM
[O-]c1cc(OCc2ccccc2)cc(C(F)(F)F)c1F	ZINC000261494063	190039806	/nfs/dbraw/zinc/03/98/06/190039806.db2.gz	OYSVVPZXPSCEGO-UHFFFAOYSA-N	-1	1	286.224	4.129	50	0		CIAAMM
CCCCn1c(=S)[n-]nc1-c1cc(Cl)ccc1OC	ZINC000006492220	170206016	/nfs/dbraw/zinc/20/60/16/170206016.db2.gz	QRHDRZYONPQAIO-UHFFFAOYSA-N	-1	1	297.811	4.070	50	0		CIAAMM
CCc1ccccc1[N-]c1nc(-c2ccccc2)no1	ZINC000071928155	176301959	/nfs/dbraw/zinc/30/19/59/176301959.db2.gz	FPZIJSLSWDZSPY-UHFFFAOYSA-N	-1	1	265.316	4.043	50	0		CIAAMM
Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cccc(C)c2n1	ZINC000000085184	567817761	/nfs/dbraw/zinc/81/77/61/567817761.db2.gz	PTETVQVNGDYLIU-UHFFFAOYSA-N	-1	1	292.338	4.293	50	0		CIAAMM
S=c1[n-]nc(C2CCCCC2)n1C1CCCCC1	ZINC000006015942	170168593	/nfs/dbraw/zinc/16/85/93/170168593.db2.gz	YFNZBPMVDDCLNY-UHFFFAOYSA-N	-1	1	265.426	4.494	50	0		CIAAMM
Cc1ccc(Nc2nc(C)c(CCC(C)C)c(=O)[n-]2)c(C)c1	ZINC000009013112	170361322	/nfs/dbraw/zinc/36/13/22/170361322.db2.gz	HWAUGAUDXKVYEH-UHFFFAOYSA-N	-1	1	299.418	4.027	50	0		CIAAMM
CCCc1cc(-c2n[n-]c(=S)n2C(C)C)cs1	ZINC000002569132	567848420	/nfs/dbraw/zinc/84/84/20/567848420.db2.gz	NNMIUGGUPMDJMW-UHFFFAOYSA-N	-1	1	267.423	4.203	50	0		CIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(C(F)(F)F)cc1	ZINC000017022189	567874434	/nfs/dbraw/zinc/87/44/34/567874434.db2.gz	ZXSOIGQCMUHMHG-YVMONPNESA-N	-1	1	289.303	4.035	50	0		CIAAMM