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+](Cc3c(O)c(C[NH+]4CCCCC4)coc3=O)CC2)cc1	ZINC000218539645	568481525	/nfs/dbraw/zinc/48/15/25/568481525.db2.gz	AXMYKYFKSXDYQR-UHFFFAOYSA-N	2	2	413.518	2.662	50	10		HFCALP
CC[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCN(c4ccc(OC)cc4)CC3)c2)CC1	ZINC000034684243	557387370	/nfs/dbraw/zinc/38/73/70/557387370.db2.gz	FPYZGHLNMVWSRD-UHFFFAOYSA-N	2	2	422.573	2.795	50	10		HFCALP
COC(=O)Cc1c(C)c2ccc(O)c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c2oc1=O	ZINC000009305580	571246558	/nfs/dbraw/zinc/24/65/58/571246558.db2.gz	SANUAVIPBDZNIR-UHFFFAOYSA-N	2	2	416.518	2.921	50	10		HFCALP
Oc1ccccc1C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020998525	558427545	/nfs/dbraw/zinc/42/75/45/558427545.db2.gz	RDZWGTGTUFYKHN-OAQYLSRUSA-N	2	2	409.530	2.903	50	10		HFCALP
Oc1ccccc1C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020998525	558427548	/nfs/dbraw/zinc/42/75/48/558427548.db2.gz	RDZWGTGTUFYKHN-OAQYLSRUSA-N	2	2	409.530	2.903	50	10		HFCALP
COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1	ZINC000008344122	568994102	/nfs/dbraw/zinc/99/41/02/568994102.db2.gz	WMLAHDDDRWBKCV-NRFANRHFSA-N	2	2	422.573	2.550	50	10		HFCALP
CCOC(=O)c1c(C[NH+](C)C)n(C)c2cc(Br)c(O)c(C[NH+](C)C)c21	ZINC000000862742	557104554	/nfs/dbraw/zinc/10/45/54/557104554.db2.gz	NLRPAIRWFGHBQA-UHFFFAOYSA-N	2	2	412.328	2.946	50	10		HFCALP
COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCCCC4)c3O)CC2)cc1	ZINC000101374350	560793514	/nfs/dbraw/zinc/79/35/14/560793514.db2.gz	USSPVSZXFSKSLI-UHFFFAOYSA-N	2	2	413.518	2.662	50	10		HFCALP
Oc1ccccc1C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020998527	558427352	/nfs/dbraw/zinc/42/73/52/558427352.db2.gz	RDZWGTGTUFYKHN-NRFANRHFSA-N	2	2	409.530	2.903	50	10		HFCALP
Oc1ccccc1C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020998527	558427355	/nfs/dbraw/zinc/42/73/55/558427355.db2.gz	RDZWGTGTUFYKHN-NRFANRHFSA-N	2	2	409.530	2.903	50	10		HFCALP
COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1	ZINC000008344123	568994011	/nfs/dbraw/zinc/99/40/11/568994011.db2.gz	WMLAHDDDRWBKCV-OAQYLSRUSA-N	2	2	422.573	2.550	50	10		HFCALP