smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCN(c5ccccc5)CC4)c3O)CC2)cc1	ZINC000101373473	569794682	/nfs/dbraw/zinc/79/46/82/569794682.db2.gz	BMIBSUMBMXQNPN-UHFFFAOYSA-N	2	2	490.604	2.998	50	10		JFCALP
CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCC[NH+]3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1	ZINC000009763815	555489400	/nfs/dbraw/zinc/48/94/00/555489400.db2.gz	BSOHGMVTARHCHA-RUZDIDTESA-N	2	2	480.609	2.918	50	10		JFCALP
COc1ccc(N2CC[NH+](Cc3c(O)c(C[NH+]4CCN(c5ccccc5)CC4)coc3=O)CC2)cc1	ZINC000101373178	569794672	/nfs/dbraw/zinc/79/46/72/569794672.db2.gz	FQWYCRVLXMJIDP-UHFFFAOYSA-N	2	2	490.604	2.998	50	10		JFCALP
C[NH+]1CCC([NH2+]Cc2cc(I)cc(I)c2O)CC1	ZINC000253401024	570096622	/nfs/dbraw/zinc/09/66/22/570096622.db2.gz	PVRCXOUBDWVGGZ-UHFFFAOYSA-N	2	2	472.108	2.785	50	10		JFCALP
CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCC[NH+]3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1	ZINC000095241504	569722205	/nfs/dbraw/zinc/72/22/05/569722205.db2.gz	BSOHGMVTARHCHA-VWLOTQADSA-N	2	2	480.609	2.918	50	10		JFCALP
C[NH+](C)CCC[NH2+]Cc1cc(I)cc(I)c1O	ZINC000048277691	569845563	/nfs/dbraw/zinc/84/55/63/569845563.db2.gz	FSEDARFFVDEQSZ-UHFFFAOYSA-N	2	2	460.097	2.643	50	10		JFCALP
CC[NH+]1CCN(c2nnc(-n3cccc3C[NH+]3CCN(c4ccc(OC)cc4)CC3)s2)CC1	ZINC000021880897	521701451	/nfs/dbraw/zinc/70/14/51/521701451.db2.gz	YJVUFDVWHYRFRO-UHFFFAOYSA-N	2	2	467.643	2.802	50	10		JFCALP
COc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)c1O	ZINC000009763559	555489187	/nfs/dbraw/zinc/48/91/87/555489187.db2.gz	WLXASAPCAXOIMP-UHFFFAOYSA-N	2	2	467.566	2.686	50	10		JFCALP