smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216857676	568468434	/nfs/dbraw/zinc/46/84/34/568468434.db2.gz	HKXOBYPOCDYZME-UHFFFAOYSA-N	1	1	424.567	0.383	40	70		HCIBMO
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCC[NH+]1CCOCC1	ZINC000216863832	568468586	/nfs/dbraw/zinc/46/85/86/568468586.db2.gz	RVBZKEGEHXVHHC-UHFFFAOYSA-N	1	1	424.567	0.383	40	70		HCIBMO
CCS(=O)(=O)N1C[C@@H](C(=O)NCCC[NH+]2CCN(C)CC2)Oc2ccccc21	ZINC000216950017	568469746	/nfs/dbraw/zinc/46/97/46/568469746.db2.gz	PDJBTKMEIVACIW-SFHVURJKSA-N	1	1	410.540	0.357	40	70		HCIBMO
CCS(=O)(=O)N1C[C@H](C(=O)NCCC[NH+]2CCN(C)CC2)Oc2ccccc21	ZINC000216950037	568469795	/nfs/dbraw/zinc/46/97/95/568469795.db2.gz	PDJBTKMEIVACIW-GOSISDBHSA-N	1	1	410.540	0.357	40	70		HCIBMO
CN1CC[NH+](CCCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)CC1	ZINC000217030823	568470400	/nfs/dbraw/zinc/47/04/00/568470400.db2.gz	XVJQSRZHXYALRL-UHFFFAOYSA-N	1	1	408.524	0.365	40	70		HCIBMO
Cn1c(=O)c(Br)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)n(C)c1=O	ZINC000217568332	568472790	/nfs/dbraw/zinc/47/27/90/568472790.db2.gz	ZXJNENROZSZZCW-NWDGAFQWSA-N	1	1	421.295	0.628	40	70		HCIBMO
Cn1c(=O)c(Br)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)n(C)c1=O	ZINC000217568332	568472789	/nfs/dbraw/zinc/47/27/89/568472789.db2.gz	ZXJNENROZSZZCW-NWDGAFQWSA-N	1	1	421.295	0.628	40	70		HCIBMO