smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(N2CC[NH+](CCCO)CC2)c1=O	ZINC000045336028	563190151	/nfs/dbraw/zinc/19/01/51/563190151.db2.gz	FHFJVFOTDIRAOD-UHFFFAOYSA-N	1	1	482.585	1.793	1	10		JDCFMO
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(NCC(=O)N2CC[NH+](C)CC2)c1=O	ZINC000045321910	563188337	/nfs/dbraw/zinc/18/83/37/563188337.db2.gz	OTXJWGJRGDMLHV-UHFFFAOYSA-N	1	1	495.584	1.475	1	10		JDCFMO
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(ccc(O)c3C[NH+]3CCOCC3)nc2-1	ZINC000026008716	563021686	/nfs/dbraw/zinc/02/16/86/563021686.db2.gz	HHGDSMGXVQDEOV-VWLOTQADSA-N	1	1	463.490	1.617	1	10		JDCFMO
CCCOCCn1c2cc(-c3ccc(OC)nc3)cnc2nc(NCC(=O)N2CC[NH+](C)CC2)c1=O	ZINC000045317211	563187506	/nfs/dbraw/zinc/18/75/06/563187506.db2.gz	VYLBTDDVUFATED-UHFFFAOYSA-N	1	1	495.584	1.475	1	10		JDCFMO
NS(=O)(=O)c1ccc(Nc2c3ccccc3[nH+]c3c(C(=O)NC(CO)(CO)CO)cccc23)cc1	ZINC000005742199	562934730	/nfs/dbraw/zinc/93/47/30/562934730.db2.gz	WQEPGRUINPRKNF-UHFFFAOYSA-N	1	1	496.545	1.225	1	10		JDCFMO
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(N2CCC[N@@H+](CCO)CC2)c1=O	ZINC000045336030	563190179	/nfs/dbraw/zinc/19/01/79/563190179.db2.gz	JWKNHXGJPRWPMQ-UHFFFAOYSA-N	1	1	482.585	1.793	1	10		JDCFMO
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(N2CC[NH+](C[C@H](C)O)CC2)c1=O	ZINC000045339591	563191163	/nfs/dbraw/zinc/19/11/63/563191163.db2.gz	JWZQBERYCMZHJF-SFHVURJKSA-N	1	1	482.585	1.792	1	10		JDCFMO
CN(C)CCN(C)C(=O)c1cc2c(s1)C(=O)c1sc(C(=O)N(C)CC[NH+](C)C)cc1C2=O	ZINC000028893907	563085498	/nfs/dbraw/zinc/08/54/98/563085498.db2.gz	JVKIJNPQGMRVBS-UHFFFAOYSA-N	1	1	476.624	1.852	1	10		JDCFMO
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(N2CC[NH+](C[C@@H](C)O)CC2)c1=O	ZINC000045339600	563191139	/nfs/dbraw/zinc/19/11/39/563191139.db2.gz	JWZQBERYCMZHJF-GOSISDBHSA-N	1	1	482.585	1.792	1	10		JDCFMO
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000058582392	563207779	/nfs/dbraw/zinc/20/77/79/563207779.db2.gz	OYSKULJUVLIWHX-VOTSOKGWSA-N	1	1	470.482	1.689	1	10		JDCFMO