smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	ZINC000160716466	376379648	/nfs/dbraw/zinc/37/96/48/376379648.db2.gz	OULSMDASARYGFT-STQMWFEESA-N	1	0	321.381	-0.192	10	70		DBIERO
COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161309293	376402566	/nfs/dbraw/zinc/40/25/66/376402566.db2.gz	XRTRKGJTQUJBOV-GFCCVEGCSA-N	1	0	310.402	-0.188	10	70		DBIERO
NC(=O)NC(=O)CC[NH+]1CCC(c2ccnn2CCO)CC1	ZINC000160656311	378296014	/nfs/dbraw/zinc/29/60/14/378296014.db2.gz	GSJVZHBJBQPHEE-UHFFFAOYSA-N	1	0	309.370	-0.360	10	70		DBIERO
COC(=O)Cn1cc(CCN2CCO[C@H](C[NH+](C)C)C2)nn1	ZINC000160013166	375204310	/nfs/dbraw/zinc/20/43/10/375204310.db2.gz	UODQGVZYWGTVPM-CYBMUJFWSA-N	1	0	311.386	-0.744	10	70		DBIERO
COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161309402	376402969	/nfs/dbraw/zinc/40/29/69/376402969.db2.gz	XRTRKGJTQUJBOV-LBPRGKRZSA-N	1	0	310.402	-0.188	10	70		DBIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CCc2ncnn2C1	ZINC000160939022	376390553	/nfs/dbraw/zinc/39/05/53/376390553.db2.gz	APMCEMXBBQTRKT-STQMWFEESA-N	1	0	322.413	-0.261	10	70		DBIERO
COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H](n3cncn3)C2)nn1	ZINC000160006899	533787138	/nfs/dbraw/zinc/78/71/38/533787138.db2.gz	KPGUJUXBHHDMRT-CYBMUJFWSA-N	1	0	319.369	-0.078	10	70		DBIERO
C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CCS1(=O)=O	ZINC000160765009	278799074	/nfs/dbraw/zinc/79/90/74/278799074.db2.gz	XSDSKLHJTNUCOJ-SECBINFHSA-N	1	0	308.367	-0.132	10	70		DBIERO
[NH3+][C@H]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	ZINC000160716324	376379448	/nfs/dbraw/zinc/37/94/48/376379448.db2.gz	OULSMDASARYGFT-OLZOCXBDSA-N	1	0	321.381	-0.192	10	70		DBIERO
Cn1cnc2cc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)cnc21	ZINC000160469152	379583443	/nfs/dbraw/zinc/58/34/43/379583443.db2.gz	ZZICHBROPLNIGZ-LBPRGKRZSA-N	1	0	302.382	-0.056	10	70		DBIERO
NC(=O)[C@@H]1Cc2ccccc2CN1C[C@H](O)CN1CCOCC1	ZINC000159627839	375146562	/nfs/dbraw/zinc/14/65/62/375146562.db2.gz	QXHPXSBKHLLPSN-CVEARBPZSA-N	1	0	319.405	-0.408	10	70		DBIERO
[NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	ZINC000160716590	376379056	/nfs/dbraw/zinc/37/90/56/376379056.db2.gz	OULSMDASARYGFT-CHWSQXEVSA-N	1	0	321.381	-0.192	10	70		DBIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CCc2ncnn2C1	ZINC000160938889	376390291	/nfs/dbraw/zinc/39/02/91/376390291.db2.gz	APMCEMXBBQTRKT-OLZOCXBDSA-N	1	0	322.413	-0.261	10	70		DBIERO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1CCc2ncnn2C1	ZINC000160939147	376390710	/nfs/dbraw/zinc/39/07/10/376390710.db2.gz	APMCEMXBBQTRKT-CHWSQXEVSA-N	1	0	322.413	-0.261	10	70		DBIERO
C[C@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CCS1(=O)=O	ZINC000160765137	279878718	/nfs/dbraw/zinc/87/87/18/279878718.db2.gz	XSDSKLHJTNUCOJ-VIFPVBQESA-N	1	0	308.367	-0.132	10	70		DBIERO
Cn1cnc2cc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cnc21	ZINC000160469019	379582145	/nfs/dbraw/zinc/58/21/45/379582145.db2.gz	ZZICHBROPLNIGZ-GFCCVEGCSA-N	1	0	302.382	-0.056	10	70		DBIERO
COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H](n3cncn3)C2)nn1	ZINC000160006764	533787555	/nfs/dbraw/zinc/78/75/55/533787555.db2.gz	KPGUJUXBHHDMRT-ZDUSSCGKSA-N	1	0	319.369	-0.078	10	70		DBIERO
COC(=O)Cn1cc(CCN2CCO[C@@H](C[NH+](C)C)C2)nn1	ZINC000160013298	375204517	/nfs/dbraw/zinc/20/45/17/375204517.db2.gz	UODQGVZYWGTVPM-ZDUSSCGKSA-N	1	0	311.386	-0.744	10	70		DBIERO
Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2=O)cc1	ZINC000160925440	524976543	/nfs/dbraw/zinc/97/65/43/524976543.db2.gz	DRNXVKDQZGERRM-IHRRRGAJSA-N	1	0	303.362	-0.061	10	70		DBIERO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1CCc2ncnn2C1	ZINC000160939288	376390047	/nfs/dbraw/zinc/39/00/47/376390047.db2.gz	APMCEMXBBQTRKT-QWHCGFSZSA-N	1	0	322.413	-0.261	10	70		DBIERO