smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc([C@@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1	ZINC000151526371	544552846	/nfs/dbraw/zinc/55/28/46/544552846.db2.gz	UVTQGFNKCDRPAY-LLVKDONJSA-N	-2	1	352.394	2.386	10	0		FEAEML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnc(N(C)C)c(C(=O)[O-])c1	ZINC000035397735	539981252	/nfs/dbraw/zinc/98/12/52/539981252.db2.gz	QZDAXKUNGYPHQR-UHFFFAOYSA-N	-2	1	353.375	2.094	10	0		FEAEML
O=C([O-])c1ccc(CCOc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1	ZINC000022056098	539691337	/nfs/dbraw/zinc/69/13/37/539691337.db2.gz	SLOBZACXYXBLIT-HNNXBMFYSA-N	-2	1	372.402	2.295	10	0	in-vitro	FEAEML
CCCC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(=O)[O-]	ZINC000262317082	549809995	/nfs/dbraw/zinc/80/99/95/549809995.db2.gz	UVMRJIJCNCOKBO-OAHLLOKOSA-N	-2	1	372.425	2.245	10	0		FEAEML
C[C@@H]1C[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000170807372	327099898	/nfs/dbraw/zinc/09/98/98/327099898.db2.gz	WHSXZCBKJGDWLJ-SKDRFNHKSA-N	-2	1	352.437	2.393	10	0		FEAEML
O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1	ZINC000070556230	541734824	/nfs/dbraw/zinc/73/48/24/541734824.db2.gz	YWTZYQWUGKHPBF-HTQZYQBOSA-N	-2	1	368.274	2.432	10	0		FEAEML
Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000151523840	544552476	/nfs/dbraw/zinc/55/24/76/544552476.db2.gz	PUCJQSJIERNWSP-SECBINFHSA-N	-2	1	358.785	2.477	10	0		FEAEML
O=C([O-])[C@@H]1CCCN1c1ncnc2ccc(C=C3SC(=O)[N-]C3=O)cc21	ZINC000136577096	544374940	/nfs/dbraw/zinc/37/49/40/544374940.db2.gz	DXKNRFFXNXVNMR-ALFJJAPYSA-N	-2	1	370.390	2.007	10	0		FEAEML
CCC[C@](C)([N-]S(=O)(=O)c1sccc1Br)C(=O)[O-]	ZINC000042524319	211779331	/nfs/dbraw/zinc/77/93/31/211779331.db2.gz	DKBZBHVEFRYYEN-JTQLQIEISA-N	-2	1	356.263	2.432	10	0		FEAEML
Cc1nc([C@@H]2CCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cs1	ZINC000187089589	328001418	/nfs/dbraw/zinc/00/14/18/328001418.db2.gz	ZZOOSDDZFWJJSV-LBPRGKRZSA-N	-2	1	371.422	2.074	10	0		FEAEML
Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000172631069	327212816	/nfs/dbraw/zinc/21/28/16/327212816.db2.gz	YMUJXHWYMMFFDE-RKDXNWHRSA-N	-2	1	370.331	2.183	10	0		FEAEML
CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)[O-]	ZINC000042350512	670164058	/nfs/dbraw/zinc/16/40/58/670164058.db2.gz	CPLWKUDZZBETNF-POYBYMJQSA-N	-2	1	356.263	2.288	10	0		FEAEML
O=C([O-])c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000032971209	539961938	/nfs/dbraw/zinc/96/19/38/539961938.db2.gz	XTDBWBFDPWUABU-UHFFFAOYSA-N	-2	1	362.407	2.022	10	0		FEAEML
O=C([O-])c1cccc(NC(=O)c2ccc(SCc3nn[n-]n3)cc2)c1	ZINC000115662199	543580105	/nfs/dbraw/zinc/58/01/05/543580105.db2.gz	YMBDBPRPSFLZTC-UHFFFAOYSA-N	-2	1	355.379	2.443	10	0		FEAEML
Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000172601434	327210665	/nfs/dbraw/zinc/21/06/65/327210665.db2.gz	VRPLLLBXNYKZHX-ZDUSSCGKSA-N	-2	1	350.378	2.140	10	0		FEAEML
C[C@H]1C[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000170807374	327099917	/nfs/dbraw/zinc/09/99/17/327099917.db2.gz	WHSXZCBKJGDWLJ-CABZTGNLSA-N	-2	1	352.437	2.393	10	0		FEAEML
Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000172631063	327212710	/nfs/dbraw/zinc/21/27/10/327212710.db2.gz	YMUJXHWYMMFFDE-DTWKUNHWSA-N	-2	1	370.331	2.183	10	0		FEAEML
O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1	ZINC000070556229	541734803	/nfs/dbraw/zinc/73/48/03/541734803.db2.gz	YWTZYQWUGKHPBF-YUMQZZPRSA-N	-2	1	368.274	2.432	10	0		FEAEML
Cc1nc(-c2ncc(C(=O)N(C)C3(C(=O)[O-])CCCC3)c(=O)[n-]2)cs1	ZINC000096164193	205844414	/nfs/dbraw/zinc/84/44/14/205844414.db2.gz	MHJBKQDTWNMGEI-UHFFFAOYSA-N	-2	1	362.411	2.084	10	0		FEAEML
Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C)c3c(=O)[n-]c(=O)nc-3[n-]1)[C@H](C)C2	ZINC000182200536	327765254	/nfs/dbraw/zinc/76/52/54/327765254.db2.gz	GGTMGWPRMLYGOA-BDJLRTHQSA-N	-2	1	364.405	2.304	10	0		FEAEML
CCC[C@@](C)([N-]S(=O)(=O)c1sccc1Br)C(=O)[O-]	ZINC000042524320	205096241	/nfs/dbraw/zinc/09/62/41/205096241.db2.gz	DKBZBHVEFRYYEN-SNVBAGLBSA-N	-2	1	356.263	2.432	10	0		FEAEML
O=C([O-])c1ccc(CCOc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1	ZINC000022056103	539691290	/nfs/dbraw/zinc/69/12/90/539691290.db2.gz	SLOBZACXYXBLIT-OAHLLOKOSA-N	-2	1	372.402	2.295	10	0	in-vitro	FEAEML
Cc1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000172601799	546261296	/nfs/dbraw/zinc/26/12/96/546261296.db2.gz	YWBNOAYOHJMKOX-VIFPVBQESA-N	-2	1	358.785	2.477	10	0		FEAEML
Cc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000174596370	327337303	/nfs/dbraw/zinc/33/73/03/327337303.db2.gz	VSTXPFYAFDGHBD-LLVKDONJSA-N	-2	1	371.422	2.156	10	0		FEAEML
O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1	ZINC000070556228	541734731	/nfs/dbraw/zinc/73/47/31/541734731.db2.gz	YWTZYQWUGKHPBF-JGVFFNPUSA-N	-2	1	368.274	2.432	10	0		FEAEML
Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)c3c(=O)[n-]c(=O)nc-3[n-]1)[C@@H](C)C2	ZINC000182200590	327765225	/nfs/dbraw/zinc/76/52/25/327765225.db2.gz	GGTMGWPRMLYGOA-ZBEGNZNMSA-N	-2	1	364.405	2.304	10	0		FEAEML
C[C@H]1C[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000170807378	327099963	/nfs/dbraw/zinc/09/99/63/327099963.db2.gz	WHSXZCBKJGDWLJ-JOYOIKCWSA-N	-2	1	352.437	2.393	10	0		FEAEML
Cc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000151523746	544552700	/nfs/dbraw/zinc/55/27/00/544552700.db2.gz	PUCJQSJIERNWSP-VIFPVBQESA-N	-2	1	358.785	2.477	10	0		FEAEML
Cc1cccc(S(=O)(=O)[N-]c2cnc(N3CCCC3)c(C(=O)[O-])c2)c1	ZINC000064472356	541206484	/nfs/dbraw/zinc/20/64/84/541206484.db2.gz	DZWDJDOFEXTTPV-UHFFFAOYSA-N	-2	1	361.423	2.489	10	0		FEAEML
Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C)c3c(=O)[n-]c(=O)nc-3[n-]1)[C@@H](C)C2	ZINC000182200571	547452801	/nfs/dbraw/zinc/45/28/01/547452801.db2.gz	GGTMGWPRMLYGOA-MEDUHNTESA-N	-2	1	364.405	2.304	10	0		FEAEML
Cc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000172631066	327212820	/nfs/dbraw/zinc/21/28/20/327212820.db2.gz	YMUJXHWYMMFFDE-IUCAKERBSA-N	-2	1	370.331	2.183	10	0		FEAEML
CCc1ccc([C@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1	ZINC000151526444	544552861	/nfs/dbraw/zinc/55/28/61/544552861.db2.gz	UVTQGFNKCDRPAY-NSHDSACASA-N	-2	1	352.394	2.386	10	0		FEAEML
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000013345594	220065171	/nfs/dbraw/zinc/06/51/71/220065171.db2.gz	WGFYOMLBWCGCHW-UHFFFAOYSA-N	-2	1	365.363	2.068	10	0		FEAEML
CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)[O-]	ZINC000042350509	211777995	/nfs/dbraw/zinc/77/79/95/211777995.db2.gz	CPLWKUDZZBETNF-SVRRBLITSA-N	-2	1	356.263	2.288	10	0		FEAEML
O=c1cc(-c2nc3c([n-]2)C(=O)NC[C@H](c2ccc(Cl)cc2)C3)nc[nH]1	ZINC000102457875	222298850	/nfs/dbraw/zinc/29/88/50/222298850.db2.gz	KTUDBDMVIXNVPD-SNVBAGLBSA-N	-2	1	355.785	2.295	10	0		FEAEML
Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCC3)c(C(=O)[O-])c2)cc1	ZINC000035397452	539981389	/nfs/dbraw/zinc/98/13/89/539981389.db2.gz	AICNKHKIJCMSJI-UHFFFAOYSA-N	-2	1	361.423	2.489	10	0		FEAEML
O=C([O-])c1ccc(NC(=O)c2ccc(SCc3nn[n-]n3)cc2)cc1	ZINC000115655298	543579860	/nfs/dbraw/zinc/57/98/60/543579860.db2.gz	XYQXLOQUBZXCAC-UHFFFAOYSA-N	-2	1	355.379	2.443	10	0		FEAEML
Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000172601430	327210771	/nfs/dbraw/zinc/21/07/71/327210771.db2.gz	VRPLLLBXNYKZHX-CYBMUJFWSA-N	-2	1	350.378	2.140	10	0		FEAEML
Cc1ccc([C@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1F	ZINC000088252650	325289131	/nfs/dbraw/zinc/28/91/31/325289131.db2.gz	QCYCGYUVBAQQQP-JTQLQIEISA-N	-2	1	356.357	2.271	10	0		FEAEML
Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000172631078	327212713	/nfs/dbraw/zinc/21/27/13/327212713.db2.gz	YMUJXHWYMMFFDE-BDAKNGLRSA-N	-2	1	370.331	2.183	10	0		FEAEML
Cc1cc(C(=O)N2CCCC[C@H]2c2nccs2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000174596381	327337241	/nfs/dbraw/zinc/33/72/41/327337241.db2.gz	VSTXPFYAFDGHBD-NSHDSACASA-N	-2	1	371.422	2.156	10	0		FEAEML
Cc1ccc([C@@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1F	ZINC000088252649	325289209	/nfs/dbraw/zinc/28/92/09/325289209.db2.gz	QCYCGYUVBAQQQP-SNVBAGLBSA-N	-2	1	356.357	2.271	10	0		FEAEML
Cc1ccccc1S(=O)(=O)[N-]c1cnc(N2CCCC2)c(C(=O)[O-])c1	ZINC000035397462	539981413	/nfs/dbraw/zinc/98/14/13/539981413.db2.gz	XQDAFIPLFMNGBE-UHFFFAOYSA-N	-2	1	361.423	2.489	10	0		FEAEML