smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CC(=O)[O+]=N1	ZINC000019774263	558280825	/nfs/dbraw/zinc/28/08/25/558280825.db2.gz	YXJGLUHQARVIIR-GOSISDBHSA-O	2	0	403.503	1.480	50	30		HDEARP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000072281862	558706505	/nfs/dbraw/zinc/70/65/05/558706505.db2.gz	CSSRBMXBGWONOO-UHFFFAOYSA-N	2	0	423.583	1.224	50	30		HDEARP
CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CC(=O)[O+]=N1	ZINC000019774265	558280813	/nfs/dbraw/zinc/28/08/13/558280813.db2.gz	YXJGLUHQARVIIR-SFHVURJKSA-O	2	0	403.503	1.480	50	30		HDEARP
C[C@@H]1C[C@H](C)CN(C(=O)C[N+]23CC[N+](CC(=O)N4C[C@H](C)C[C@H](C)C4)(CC2)CC3)C1	ZINC000013131672	558520124	/nfs/dbraw/zinc/52/01/24/558520124.db2.gz	DSJCKQWXSCOIOJ-QSMRXADQSA-N	2	0	420.642	1.656	50	30		HDEARP
C[C@@H]1C[C@H](C)CN(C(=O)C[N+]23CC[N+](CC(=O)N4C[C@@H](C)C[C@H](C)C4)(CC2)CC3)C1	ZINC000018164156	560780418	/nfs/dbraw/zinc/78/04/18/560780418.db2.gz	DSJCKQWXSCOIOJ-JGNAIIIHSA-N	2	0	420.642	1.656	50	30		HDEARP
C[C@@H]1C[C@@H](C)CN(C(=O)C[N+]23CC[N+](CC(=O)N4C[C@H](C)C[C@H](C)C4)(CC2)CC3)C1	ZINC000018193164	560782159	/nfs/dbraw/zinc/78/21/59/560782159.db2.gz	DSJCKQWXSCOIOJ-SMYYOOTLSA-N	2	0	420.642	1.656	50	30		HDEARP
C=CCn1cc(C[NH+]2CCC3(CN(CCN4CC[NH+](CC)CC4)C(=O)O3)CC2)cn1	ZINC000072418850	568920845	/nfs/dbraw/zinc/92/08/45/568920845.db2.gz	NZNMFWKSHUQVJS-UHFFFAOYSA-N	2	0	416.570	1.493	50	30		HDEARP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1	ZINC000022913157	518687290	/nfs/dbraw/zinc/68/72/90/518687290.db2.gz	LLMXDSNEQYSTTN-NRFANRHFSA-N	2	0	403.567	1.647	50	30		HDEARP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1	ZINC000022913154	518688045	/nfs/dbraw/zinc/68/80/45/518688045.db2.gz	LLMXDSNEQYSTTN-OAQYLSRUSA-N	2	0	403.567	1.647	50	30		HDEARP
C[C@@H]1C[C@@H](C)CN(C(=O)C[N+]23CC[N+](CC(=O)N4C[C@H](C)C[C@@H](C)C4)(CC2)CC3)C1	ZINC000239297082	569054090	/nfs/dbraw/zinc/05/40/90/569054090.db2.gz	DSJCKQWXSCOIOJ-AOJLTGJHSA-N	2	0	420.642	1.656	50	30		HDEARP