smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccccc2Cl)cc1	ZINC000216805524	569879542	/nfs/dbraw/zinc/87/95/42/569879542.db2.gz	YZOZVOXPDXVUAX-UHFFFAOYSA-N	1	0	450.004	3.050	40	70		JGIBRO
C[NH+]1CCC(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000216801256	569879355	/nfs/dbraw/zinc/87/93/55/569879355.db2.gz	RTXSCEGLAFCWJK-UHFFFAOYSA-N	1	0	470.422	3.395	40	70		JGIBRO
COc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl	ZINC000216813116	569879460	/nfs/dbraw/zinc/87/94/60/569879460.db2.gz	VPRNSFGVMOOURG-UHFFFAOYSA-N	1	0	496.029	3.071	40	70		JGIBRO
Cc1ccc(CN(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	ZINC000216808722	569879508	/nfs/dbraw/zinc/87/95/08/569879508.db2.gz	VCKAEHIPYUQKIM-UHFFFAOYSA-N	1	0	457.640	3.322	40	70		JGIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccc(Cl)cc2C)cc1	ZINC000216933880	569879814	/nfs/dbraw/zinc/87/98/14/569879814.db2.gz	KJQPRQOLWNYHHE-UHFFFAOYSA-N	1	0	450.004	3.363	40	70		JGIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)F)c(Cl)c2)c(Cl)c1	ZINC000043307749	563169380	/nfs/dbraw/zinc/16/93/80/563169380.db2.gz	NVRULPOEDQNQDU-UHFFFAOYSA-N	1	0	474.345	3.416	40	70		JGIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043834621	563171113	/nfs/dbraw/zinc/17/11/13/563171113.db2.gz	WOZWTYPOZZHVFU-UHFFFAOYSA-N	1	0	483.953	3.032	40	70		JGIBRO
C[NH+]1CCC(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000216806060	569879538	/nfs/dbraw/zinc/87/95/38/569879538.db2.gz	OYUNHRKSUUFHMH-UHFFFAOYSA-N	1	0	484.449	3.437	40	70		JGIBRO
C[NH+]1CCC(CCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000216932678	569879850	/nfs/dbraw/zinc/87/98/50/569879850.db2.gz	NTJOMBVYAQWGRO-UHFFFAOYSA-N	1	0	450.004	3.383	40	70		JGIBRO
C[NH+]1CCC(CCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1	ZINC000216932617	569879865	/nfs/dbraw/zinc/87/98/65/569879865.db2.gz	ANLUTTUIRVKVJU-UHFFFAOYSA-N	1	0	450.004	3.383	40	70		JGIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2cccc(Cl)c2)cc1	ZINC000216805168	569879380	/nfs/dbraw/zinc/87/93/80/569879380.db2.gz	NEJPITYVCTVAIH-UHFFFAOYSA-N	1	0	450.004	3.050	40	70		JGIBRO
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000216833971	569879705	/nfs/dbraw/zinc/87/97/05/569879705.db2.gz	QHHYIGCOJPJVLT-UHFFFAOYSA-N	1	0	451.976	3.038	40	70		JGIBRO
C[NH+]1CCC(CCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1	ZINC000216932578	569879819	/nfs/dbraw/zinc/87/98/19/569879819.db2.gz	JLNCFLXNMLYGIA-UHFFFAOYSA-N	1	0	450.004	3.383	40	70		JGIBRO
Cc1ccc(CN(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000216806386	569879486	/nfs/dbraw/zinc/87/94/86/569879486.db2.gz	FKGHTQPKCXCJEC-UHFFFAOYSA-N	1	0	494.455	3.159	40	70		JGIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccc(Br)cc2)cc1	ZINC000216804248	569879436	/nfs/dbraw/zinc/87/94/36/569879436.db2.gz	DAGJYBVDIZGNCA-UHFFFAOYSA-N	1	0	494.455	3.159	40	70		JGIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307528	563169395	/nfs/dbraw/zinc/16/93/95/563169395.db2.gz	HOFXDBPVYRZUDG-UHFFFAOYSA-N	1	0	497.980	3.422	40	70		JGIBRO
C[NH+]1CCC(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1	ZINC000216802108	569879407	/nfs/dbraw/zinc/87/94/07/569879407.db2.gz	XEIJGXRVCVMGPD-UHFFFAOYSA-N	1	0	470.422	3.395	40	70		JGIBRO
C[NH+]1CCC(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216805350	569879403	/nfs/dbraw/zinc/87/94/03/569879403.db2.gz	YOTYPYICBIUOQF-UHFFFAOYSA-N	1	0	470.422	3.395	40	70		JGIBRO
Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NC1CC[NH+](C)CC1	ZINC000216836565	569879668	/nfs/dbraw/zinc/87/96/68/569879668.db2.gz	XSZZGKBBCNYNSS-UHFFFAOYSA-N	1	0	451.976	3.038	40	70		JGIBRO
C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)CC1	ZINC000216838536	569879716	/nfs/dbraw/zinc/87/97/16/569879716.db2.gz	GQVWUZSXUTWDHH-UHFFFAOYSA-N	1	0	472.394	3.383	40	70		JGIBRO
C[NH+]1CCC(CCNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1	ZINC000216947039	569879816	/nfs/dbraw/zinc/87/98/16/569879816.db2.gz	GQUWHJMYWZVLGD-UHFFFAOYSA-N	1	0	450.432	3.388	40	70		JGIBRO
C[NH+]1CCC(CCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216937510	569879864	/nfs/dbraw/zinc/87/98/64/569879864.db2.gz	YITGKVYOQCSEKP-UHFFFAOYSA-N	1	0	450.004	3.383	40	70		JGIBRO
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CC[NH+](C)CC2)c(C)c1	ZINC000216808550	569879510	/nfs/dbraw/zinc/87/95/10/569879510.db2.gz	JEROJXXFFKYMBN-UHFFFAOYSA-N	1	0	457.640	3.056	40	70		JGIBRO
Cc1ccc(CN(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000216802260	569879401	/nfs/dbraw/zinc/87/94/01/569879401.db2.gz	IVIKYLFTZQYJHY-UHFFFAOYSA-N	1	0	450.004	3.050	40	70		JGIBRO
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000216811216	569879502	/nfs/dbraw/zinc/87/95/02/569879502.db2.gz	DTCIDOVRXQZINA-UHFFFAOYSA-N	1	0	466.003	3.063	40	70		JGIBRO
C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1	ZINC000216833517	569879657	/nfs/dbraw/zinc/87/96/57/569879657.db2.gz	CXBZXWLTNZIMLD-UHFFFAOYSA-N	1	0	471.501	3.095	40	70		JGIBRO
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)c(Cl)c2)cc1	ZINC000216838823	569879690	/nfs/dbraw/zinc/87/96/90/569879690.db2.gz	NEGXASPWNQIDEV-UHFFFAOYSA-N	1	0	482.002	3.129	40	70		JGIBRO
C[NH+]1CCC(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216801768	569879442	/nfs/dbraw/zinc/87/94/42/569879442.db2.gz	NGEWZWRHAZSDOF-UHFFFAOYSA-N	1	0	470.422	3.395	40	70		JGIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2c(F)cccc2Cl)cc1	ZINC000216803871	569879391	/nfs/dbraw/zinc/87/93/91/569879391.db2.gz	UMMLNQPWKPCACP-UHFFFAOYSA-N	1	0	467.994	3.189	40	70		JGIBRO
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC[NH+](C)CC1)c1ccc(C)c(Cl)c1	ZINC000216813277	569879478	/nfs/dbraw/zinc/87/94/78/569879478.db2.gz	MXKDDVFEMIJRJR-UHFFFAOYSA-N	1	0	480.030	3.371	40	70		JGIBRO
Cc1ccccc1CN(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000216805895	569879548	/nfs/dbraw/zinc/87/95/48/569879548.db2.gz	ZHHNVJFWCIXPTI-UHFFFAOYSA-N	1	0	450.004	3.050	40	70		JGIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccc(C)c(Cl)c2)cc1	ZINC000216933928	569879828	/nfs/dbraw/zinc/87/98/28/569879828.db2.gz	SVTBHDWSLCRECC-UHFFFAOYSA-N	1	0	450.004	3.363	40	70		JGIBRO
Cc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	ZINC000216937953	569879878	/nfs/dbraw/zinc/87/98/78/569879878.db2.gz	SPEVHTVMAPXXRR-UHFFFAOYSA-N	1	0	450.004	3.363	40	70		JGIBRO
COc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)n2)cc1	ZINC000218070309	569882620	/nfs/dbraw/zinc/88/26/20/569882620.db2.gz	KZIOAMWPECCFDZ-DOCBIHDTSA-N	1	0	474.605	3.341	40	70		JGIBRO
COc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)n2)cc1	ZINC000218070225	569882646	/nfs/dbraw/zinc/88/26/46/569882646.db2.gz	KZIOAMWPECCFDZ-SVAWTBLWSA-N	1	0	474.605	3.341	40	70		JGIBRO
Cc1cccc(CN(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000216802566	569879428	/nfs/dbraw/zinc/87/94/28/569879428.db2.gz	IEYPKPOMKAYFNB-UHFFFAOYSA-N	1	0	450.004	3.050	40	70		JGIBRO
CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccccc2)cc1Cl	ZINC000216815692	569879526	/nfs/dbraw/zinc/87/95/26/569879526.db2.gz	AXPIBYNZIKSMGE-UHFFFAOYSA-N	1	0	480.030	3.140	40	70		JGIBRO
O=C(CCCc1cn(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccccc12)N1CCOCC1	ZINC000217528654	569880242	/nfs/dbraw/zinc/88/02/42/569880242.db2.gz	WEROGHWYOMMSTN-JTHBVZDNSA-N	1	0	474.605	3.061	40	70		JGIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccc(Cl)cc2)cc1	ZINC000216798458	569879384	/nfs/dbraw/zinc/87/93/84/569879384.db2.gz	SPQKOQOZSYAOKO-UHFFFAOYSA-N	1	0	450.004	3.050	40	70		JGIBRO
C[NH+]1CCC(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216802748	569879399	/nfs/dbraw/zinc/87/93/99/569879399.db2.gz	YVKMWQFGQSZNHM-UHFFFAOYSA-N	1	0	470.422	3.395	40	70		JGIBRO