smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)OCCCNc1nc(OCCCC[NH3+])cc(OCCN(C)C)n1	ZINC000040980354	205086697	/nfs/dbraw/zinc/08/66/97/205086697.db2.gz	DXHKBVCUGNSHSK-UHFFFAOYSA-N	1	3	369.510	1.762	1	0		FDAFHO
Cc1nc(CC[NH3+])cc(N2CCN([C@H]3CCc4ccccc4C3)CC2)n1	ZINC000039455315	132300876	/nfs/dbraw/zinc/30/08/76/132300876.db2.gz	UUOWXOARJXBJKL-FQEVSTJZSA-N	1	3	351.498	1.966	1	0		FDAFHO
CC[NH+](CC)CCn1c2ccccc2n2c1nc(N1CCNCC1)cc2=O	ZINC000095589639	136151095	/nfs/dbraw/zinc/15/10/95/136151095.db2.gz	SURDLMABENUMIY-UHFFFAOYSA-N	1	3	368.485	1.401	1	0		FDAFHO
CN(C)CCN1C(=O)c2cccc3c(NCC[NH+](C)C)ccc(c32)C1=O	ZINC000040951176	211765301	/nfs/dbraw/zinc/76/53/01/211765301.db2.gz	ABKVCQHPAOLOSS-UHFFFAOYSA-N	1	3	354.454	1.971	1	0		FDAFHO
Cc1nc2c(c(N(C)C[C@H]3Cc4ccccc4CN3C)n1)CC[NH2+]CC2	ZINC000065431124	221219303	/nfs/dbraw/zinc/21/93/03/221219303.db2.gz	LWDHSQLPNDLWKJ-GOSISDBHSA-N	1	3	351.498	1.966	1	0		FDAFHO
Cc1nc(CC[NH3+])cc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)n1	ZINC000039455314	132300849	/nfs/dbraw/zinc/30/08/49/132300849.db2.gz	UUOWXOARJXBJKL-HXUWFJFHSA-N	1	3	351.498	1.966	1	0		FDAFHO
N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCC([NH3+])CC1)C1CCCCC1	ZINC000027330062	581096725	/nfs/dbraw/zinc/09/67/25/581096725.db2.gz	GGSMNICSNHFDOA-KXIUCKCTSA-N	1	3	364.534	1.519	1	0		FDAFHO
CCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000013824647	220096646	/nfs/dbraw/zinc/09/66/46/220096646.db2.gz	LMRYUEWBOMNZAX-IRXDYDNUSA-N	1	3	354.539	1.910	1	0		FDAFHO
CS(=O)(=O)Nc1ccc(CCN2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000026722032	136153210	/nfs/dbraw/zinc/15/32/10/136153210.db2.gz	IAVQXEJOXYEWMG-UHFFFAOYSA-N	1	3	360.483	1.818	1	0		FDAFHO