smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN([C@H]2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000329137292	1072465195	/nfs/dbraw/zinc/46/51/95/1072465195.db2.gz	DDQQCUDRGQCHTI-KRWDZBQOSA-N	2	2	380.537	-0.224	10	30		GBEELP
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000329137293	1072464953	/nfs/dbraw/zinc/46/49/53/1072464953.db2.gz	DDQQCUDRGQCHTI-QGZVFWFLSA-N	2	2	380.537	-0.224	10	30		GBEELP
CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)C1	ZINC000329660924	1073375455	/nfs/dbraw/zinc/37/54/55/1073375455.db2.gz	OSKLKSURVQIHGX-QZTJIDSGSA-N	2	2	383.537	-0.042	10	30		GBEELP
CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)C1	ZINC000329660924	1073375445	/nfs/dbraw/zinc/37/54/45/1073375445.db2.gz	OSKLKSURVQIHGX-QZTJIDSGSA-N	2	2	383.537	-0.042	10	30		GBEELP
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C)CCO3)CC2)C1	ZINC000329660924	1073375436	/nfs/dbraw/zinc/37/54/36/1073375436.db2.gz	OSKLKSURVQIHGX-QZTJIDSGSA-N	2	2	383.537	-0.042	10	30		GBEELP
CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)C1	ZINC000329660925	1073375147	/nfs/dbraw/zinc/37/51/47/1073375147.db2.gz	OSKLKSURVQIHGX-ZWKOTPCHSA-N	2	2	383.537	-0.042	10	30		GBEELP
CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)C1	ZINC000329660925	1073375139	/nfs/dbraw/zinc/37/51/39/1073375139.db2.gz	OSKLKSURVQIHGX-ZWKOTPCHSA-N	2	2	383.537	-0.042	10	30		GBEELP
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C)CCO3)CC2)C1	ZINC000329660925	1073375127	/nfs/dbraw/zinc/37/51/27/1073375127.db2.gz	OSKLKSURVQIHGX-ZWKOTPCHSA-N	2	2	383.537	-0.042	10	30		GBEELP
C[NH+]1CCN(OC(=O)[C@@H]2[C@@H]3NCC[NH2+][C@@H]3C(=O)N2c2ccc(Cl)cn2)CC1	ZINC000504815577	529775487	/nfs/dbraw/zinc/77/54/87/529775487.db2.gz	RAPWYIXFYADGMW-ILXRZTDVSA-N	2	2	393.855	-0.899	10	30		GBEELP
C[NH+]1CCN(OC(=O)[C@@H]2[C@@H]3NCC[NH2+][C@H]3C(=O)N2c2ccc(Cl)cn2)CC1	ZINC000504815578	529775533	/nfs/dbraw/zinc/77/55/33/529775533.db2.gz	RAPWYIXFYADGMW-KFWWJZLASA-N	2	2	393.855	-0.899	10	30		GBEELP
C[NH+]1CCN(OC(=O)[C@@H]2[C@H]3NCC[NH2+][C@@H]3C(=O)N2c2ccc(Cl)cn2)CC1	ZINC000504815579	529775545	/nfs/dbraw/zinc/77/55/45/529775545.db2.gz	RAPWYIXFYADGMW-KKUMJFAQSA-N	2	2	393.855	-0.899	10	30		GBEELP
C[NH+]1CCN(OC(=O)[C@@H]2[C@H]3NCC[NH2+][C@H]3C(=O)N2c2ccc(Cl)cn2)CC1	ZINC000504815580	529775619	/nfs/dbraw/zinc/77/56/19/529775619.db2.gz	RAPWYIXFYADGMW-ZNMIVQPWSA-N	2	2	393.855	-0.899	10	30		GBEELP