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)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000181283623	618894326	/nfs/dbraw/zinc/89/43/26/618894326.db2.gz	PJCMGKYABRAHFC-VKJFTORMSA-N	2	0	289.467	3.132	10	10		CGCERP
CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1	ZINC000251234633	334358612	/nfs/dbraw/zinc/35/86/12/334358612.db2.gz	KZEVYPXGCVHLAO-UAGQMJEPSA-N	2	0	288.435	3.259	10	10		CGCERP
CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1O	ZINC000088164184	327016838	/nfs/dbraw/zinc/01/68/38/327016838.db2.gz	PIUJMTCHKZUFQX-BTFYYFJDSA-N	2	0	288.435	3.448	10	10		CGCERP
C[N@H+](CCC[NH2+]Cc1cccc(F)c1[O-])C1CCCCC1	ZINC000165029832	622853958	/nfs/dbraw/zinc/85/39/58/622853958.db2.gz	UFKUILPRRUGLLF-UHFFFAOYSA-N	2	0	294.414	3.276	10	10		CGCERP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O	ZINC000019915118	170924588	/nfs/dbraw/zinc/92/45/88/170924588.db2.gz	XHLFGQXFLQTDQV-KGLIPLIRSA-N	2	0	294.439	3.259	10	10		CGCERP
CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1O	ZINC000088164185	327016794	/nfs/dbraw/zinc/01/67/94/327016794.db2.gz	PIUJMTCHKZUFQX-UCMJJCQDSA-N	2	0	288.435	3.448	10	10		CGCERP
C[NH2+]CCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000005320003	170085453	/nfs/dbraw/zinc/08/54/53/170085453.db2.gz	SGCRIYMGLGMMSV-UHFFFAOYSA-N	2	0	265.360	3.409	10	10		CGCERP
COc1ccc(C[NH2+]C(C)C)cc1C[NH+]1CCCCC1	ZINC000045206458	175328550	/nfs/dbraw/zinc/32/85/50/175328550.db2.gz	CHIBPZXYBHLNNG-UHFFFAOYSA-N	2	0	276.424	3.179	10	10		CGCERP
CC[NH+](CC)Cc1cc(C[NH2+]C(C)C)ccc1OC	ZINC000045206454	175328311	/nfs/dbraw/zinc/32/83/11/175328311.db2.gz	ODQSXWBAWRYSDT-UHFFFAOYSA-N	2	0	264.413	3.035	10	10		CGCERP
Cc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1O	ZINC000179986686	373951225	/nfs/dbraw/zinc/95/12/25/373951225.db2.gz	ZGSFCWDVCOQWTA-HNNXBMFYSA-N	2	0	297.402	3.030	10	10		CGCERP
CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1	ZINC000217915009	333125161	/nfs/dbraw/zinc/12/51/61/333125161.db2.gz	KZEVYPXGCVHLAO-USXIJHARSA-N	2	0	288.435	3.259	10	10		CGCERP
CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1	ZINC000211272209	392985329	/nfs/dbraw/zinc/98/53/29/392985329.db2.gz	KZEVYPXGCVHLAO-DJIMGWMZSA-N	2	0	288.435	3.259	10	10		CGCERP
CC[NH+]1CCC([NH2+]Cc2c(O)ccc3ccccc32)CC1	ZINC000038097904	521581534	/nfs/dbraw/zinc/58/15/34/521581534.db2.gz	CGBJYSNSHNWGAU-UHFFFAOYSA-N	2	0	284.403	3.119	10	10		CGCERP
CC1(C)CC([NH2+]Cc2cc(Cl)ccc2O)CC(C)(C)[NH2+]1	ZINC000020143354	171029377	/nfs/dbraw/zinc/02/93/77/171029377.db2.gz	BMQVBZBBRXBFPY-UHFFFAOYSA-N	2	0	296.842	3.444	10	10		CGCERP
CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1	ZINC000251234632	334358488	/nfs/dbraw/zinc/35/84/88/334358488.db2.gz	KZEVYPXGCVHLAO-OIISXLGYSA-N	2	0	288.435	3.259	10	10		CGCERP
CCCN(CC[NH+](C)C)c1ccc([C@H](C)[NH3+])cc1Cl	ZINC000061698052	521659119	/nfs/dbraw/zinc/65/91/19/521659119.db2.gz	AVFUBMFOCLZZFP-LBPRGKRZSA-N	2	0	283.847	3.138	10	10		CGCERP