smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc3c(cc2Cl)OCO3)cc1	ZINC000013991175	557400212	/nfs/dbraw/zinc/40/02/12/557400212.db2.gz	OKOHHHDQQHQWRR-UHFFFAOYSA-N	2	2	426.948	4.424	40	10		IICBLP
CN(C)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc3c(cc2Cl)OCO3)cc1	ZINC000013991175	557400215	/nfs/dbraw/zinc/40/02/15/557400215.db2.gz	OKOHHHDQQHQWRR-UHFFFAOYSA-N	2	2	426.948	4.424	40	10		IICBLP
CC[NH+](CC)CCN(C(=O)c1ccccc1OC)C1CC[NH+](c2ccc(OC)cc2)CC1	ZINC000057744307	557258448	/nfs/dbraw/zinc/25/84/48/557258448.db2.gz	MTPKIAUPWIPDLS-UHFFFAOYSA-N	2	2	439.600	4.157	40	10		IICBLP
CN(C)c1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2F)nc([C@H]2CCCC[NH2+]2)n1	ZINC000019709860	556871394	/nfs/dbraw/zinc/87/13/94/556871394.db2.gz	GRKZBFCDEWGBGI-HSZRJFAPSA-N	2	2	440.611	4.119	40	10		IICBLP
CN(C)c1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2F)nc([C@H]2CCCC[NH2+]2)n1	ZINC000019709860	556871397	/nfs/dbraw/zinc/87/13/97/556871397.db2.gz	GRKZBFCDEWGBGI-HSZRJFAPSA-N	2	2	440.611	4.119	40	10		IICBLP
CN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3cccs3)nn2C)cc1	ZINC000020503732	569369473	/nfs/dbraw/zinc/36/94/73/569369473.db2.gz	ZNFGDKGEPAAEEW-NNWRFLSQSA-N	2	2	435.641	4.182	40	10	biogenic,in-vitro	IICBLP
CN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3cccs3)nn2C)cc1	ZINC000020503732	569369475	/nfs/dbraw/zinc/36/94/75/569369475.db2.gz	ZNFGDKGEPAAEEW-NNWRFLSQSA-N	2	2	435.641	4.182	40	10	biogenic,in-vitro	IICBLP
Cc1ccc2occ(C[N@@H+](CCCn3cc[nH+]c3)Cc3ccc(N(C)C)cc3)c(=O)c2c1	ZINC000013991162	557400234	/nfs/dbraw/zinc/40/02/34/557400234.db2.gz	MSALVUZBOPMDTG-UHFFFAOYSA-N	2	2	430.552	4.456	40	10		IICBLP
Cc1ccc2occ(C[N@H+](CCCn3cc[nH+]c3)Cc3ccc(N(C)C)cc3)c(=O)c2c1	ZINC000013991162	557400237	/nfs/dbraw/zinc/40/02/37/557400237.db2.gz	MSALVUZBOPMDTG-UHFFFAOYSA-N	2	2	430.552	4.456	40	10		IICBLP
CN(C)c1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2F)nc([C@@H]2CCCC[NH2+]2)n1	ZINC000019709859	556871310	/nfs/dbraw/zinc/87/13/10/556871310.db2.gz	GRKZBFCDEWGBGI-QHCPKHFHSA-N	2	2	440.611	4.119	40	10		IICBLP
CN(C)c1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2F)nc([C@@H]2CCCC[NH2+]2)n1	ZINC000019709859	556871315	/nfs/dbraw/zinc/87/13/15/556871315.db2.gz	GRKZBFCDEWGBGI-QHCPKHFHSA-N	2	2	440.611	4.119	40	10		IICBLP