smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCN2CCCC[C@@H]21	ZINC000063855377	462678712	/nfs/dbraw/zinc/67/87/12/462678712.db2.gz	GODCAQKAFYHVBL-WOJBJXKFSA-N	1	3	330.472	2.481	50	10		EECAHO
CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1	ZINC000004725436	692827309	/nfs/dbraw/zinc/82/73/09/692827309.db2.gz	SDHPADVAAWPQFU-UHFFFAOYSA-N	1	3	333.476	2.062	50	10		EECAHO
c1cc(N2CCC(N3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc2c1OCO2	ZINC000067605214	275064492	/nfs/dbraw/zinc/06/44/92/275064492.db2.gz	VHXUWRBYHDGKFD-FQEVSTJZSA-N	1	3	343.471	2.460	50	10		EECAHO
c1cc(N2CCC([N@@H+]3CC[C@@]4(C3)CCCNC4)CC2)cc2c1OCO2	ZINC000067605214	275064493	/nfs/dbraw/zinc/06/44/93/275064493.db2.gz	VHXUWRBYHDGKFD-FQEVSTJZSA-N	1	3	343.471	2.460	50	10		EECAHO
c1cc(N2CCC([N@H+]3CC[C@@]4(C3)CCCNC4)CC2)cc2c1OCO2	ZINC000067605214	275064494	/nfs/dbraw/zinc/06/44/94/275064494.db2.gz	VHXUWRBYHDGKFD-FQEVSTJZSA-N	1	3	343.471	2.460	50	10		EECAHO
c1cc(N2CCC(N3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc2c1OCO2	ZINC000067605216	463024767	/nfs/dbraw/zinc/02/47/67/463024767.db2.gz	VHXUWRBYHDGKFD-HXUWFJFHSA-N	1	3	343.471	2.460	50	10		EECAHO
c1cc(N2CCC([N@@H+]3CC[C@]4(C3)CCCNC4)CC2)cc2c1OCO2	ZINC000067605216	463024772	/nfs/dbraw/zinc/02/47/72/463024772.db2.gz	VHXUWRBYHDGKFD-HXUWFJFHSA-N	1	3	343.471	2.460	50	10		EECAHO
c1cc(N2CCC([N@H+]3CC[C@]4(C3)CCCNC4)CC2)cc2c1OCO2	ZINC000067605216	463024774	/nfs/dbraw/zinc/02/47/74/463024774.db2.gz	VHXUWRBYHDGKFD-HXUWFJFHSA-N	1	3	343.471	2.460	50	10		EECAHO
C[NH+](C)Cc1cc(CN2CCC([NH+]3CCSCC3)CC2)ccc1[O-]	ZINC000067756923	215204466	/nfs/dbraw/zinc/20/44/66/215204466.db2.gz	ZXXIFPVQAZUJDX-UHFFFAOYSA-N	1	3	349.544	2.467	50	10		EECAHO
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1	ZINC000004388637	210186611	/nfs/dbraw/zinc/18/66/11/210186611.db2.gz	LRXLNMZQHZJZBB-UHFFFAOYSA-N	1	3	347.503	2.308	50	10		EECAHO