smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)CC1	ZINC000216863077	570308760	/nfs/dbraw/zinc/30/87/60/570308760.db2.gz	AHHWYMXPXXGPKZ-UHFFFAOYSA-N	2	2	394.541	0.709	40	70		GCIBLP
C[NH+](C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216871957	530492534	/nfs/dbraw/zinc/49/25/34/530492534.db2.gz	WQGHCIQUCDMPTN-UHFFFAOYSA-N	2	2	388.921	0.568	40	70		GCIBLP
CC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)CC1	ZINC000216856991	570308253	/nfs/dbraw/zinc/30/82/53/570308253.db2.gz	JFCOFXWQTZCNLF-UHFFFAOYSA-N	2	2	394.541	0.709	40	70		GCIBLP
C[NH+](C)CCCNC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216886751	570309043	/nfs/dbraw/zinc/30/90/43/570309043.db2.gz	JZGJUSITAVRXCA-UHFFFAOYSA-N	2	2	382.530	0.445	40	70		GCIBLP
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCC[NH+](C)C	ZINC000216864051	570308639	/nfs/dbraw/zinc/30/86/39/570308639.db2.gz	NOPYLLQTVAOOPU-UHFFFAOYSA-N	2	2	382.530	0.613	40	70		GCIBLP
C[NH+](C)CCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216879663	530492546	/nfs/dbraw/zinc/49/25/46/530492546.db2.gz	WJIULQWBFLAKJV-UHFFFAOYSA-N	2	2	388.921	0.568	40	70		GCIBLP
Cc1ccc(C(=O)NCCC[NH+](C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216857944	570308148	/nfs/dbraw/zinc/30/81/48/570308148.db2.gz	SSLZXENWKQPUOS-UHFFFAOYSA-N	2	2	382.530	0.613	40	70		GCIBLP