smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1c1cccs1	ZINC000329009809	570450804	/nfs/dbraw/zinc/45/08/04/570450804.db2.gz	ZJIXFWWYUWIKOE-RKVPGOIHSA-N	2	2	358.511	3.547	40	30		FHEBLP
C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1c1cccs1	ZINC000329009809	570450806	/nfs/dbraw/zinc/45/08/06/570450806.db2.gz	ZJIXFWWYUWIKOE-RKVPGOIHSA-N	2	2	358.511	3.547	40	30		FHEBLP
C[NH+](C)CC(C[NH+](C)C)C(=O)C=Cc1ccc(OCc2ccccc2)cc1	ZINC000017140407	524047172	/nfs/dbraw/zinc/04/71/72/524047172.db2.gz	ZSEBEHIYUDUVEO-QINSGFPZSA-N	2	2	366.505	3.587	40	30		FHEBLP
CCN(CC)c1ccc(/C=[NH+]\N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000019771374	263376669	/nfs/dbraw/zinc/37/66/69/263376669.db2.gz	IMZIFRKFRVCUCI-NKFKGCMQSA-N	2	2	350.510	3.685	40	30		FHEBLP
[NH2+]=C(Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000015922242	570848138	/nfs/dbraw/zinc/84/81/38/570848138.db2.gz	HTWVBUISVTWBIE-UHFFFAOYSA-N	2	2	363.292	3.757	40	30		FHEBLP
C[NH+](C)CC(C[NH+](C)C)C(=O)C=Cc1ccc(OCc2ccccc2)cc1	ZINC000001584560	524046708	/nfs/dbraw/zinc/04/67/08/524046708.db2.gz	ZSEBEHIYUDUVEO-NTCAYCPXSA-N	2	2	366.505	3.587	40	30		FHEBLP
CN(C)c1ccc(/C=[NH+]\N2CC[NH+](Cc3ccccc3Cl)CC2)cc1	ZINC000019790561	522136985	/nfs/dbraw/zinc/13/69/85/522136985.db2.gz	VNUOLMATLPCKQO-JCMHNJIXSA-N	2	2	356.901	3.558	40	30		FHEBLP
CC#CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](C)Cc2ccccc2)[C@H]1O	ZINC000585261329	570480494	/nfs/dbraw/zinc/48/04/94/570480494.db2.gz	JLPYMSCSADXRPQ-WXFUMESZSA-N	2	2	362.517	3.536	40	30		FHEBLP
CC#CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](C)Cc2ccccc2)[C@H]1O	ZINC000585261329	570480496	/nfs/dbraw/zinc/48/04/96/570480496.db2.gz	JLPYMSCSADXRPQ-WXFUMESZSA-N	2	2	362.517	3.536	40	30		FHEBLP
CC#CC[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H]1O	ZINC000585261329	570480498	/nfs/dbraw/zinc/48/04/98/570480498.db2.gz	JLPYMSCSADXRPQ-WXFUMESZSA-N	2	2	362.517	3.536	40	30		FHEBLP
CC#CC[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2)[C@H]1O	ZINC000585261329	570480501	/nfs/dbraw/zinc/48/05/01/570480501.db2.gz	JLPYMSCSADXRPQ-WXFUMESZSA-N	2	2	362.517	3.536	40	30		FHEBLP