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(c1ccco1)c1ccc(N2CC[NH2+]CC2)cc1	ZINC000004245184	360535855	/nfs/dbraw/zinc/53/58/55/360535855.db2.gz	JOTPLXFOKWWFNF-UHFFFAOYSA-N	1	0	256.305	1.920	30	0		CDACRO
CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000079418630	280272832	/nfs/dbraw/zinc/27/28/32/280272832.db2.gz	DZPRERKOHPPYQH-NEPJUHHUSA-N	1	0	299.415	1.438	30	0		CDACRO
c1ccc2nc(N3CC[NH2+]CC3)c(CC3CC3)nc2c1	ZINC000085650632	135037592	/nfs/dbraw/zinc/03/75/92/135037592.db2.gz	FVSMKVUWGKXIOQ-UHFFFAOYSA-N	1	0	268.364	1.992	30	0		CDACRO
COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H]([NH3+])C(C)(C)C)C2(C)C	ZINC000147287325	348725291	/nfs/dbraw/zinc/72/52/91/348725291.db2.gz	WUVFBJQCJGPLJV-XWLWVQCSSA-N	1	0	282.384	1.016	30	0		CDACRO
CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000079418626	390421296	/nfs/dbraw/zinc/42/12/96/390421296.db2.gz	WJYGSQGZVFDTTQ-RYUDHWBXSA-N	1	0	299.415	1.438	30	0		CDACRO
CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000079418622	390421441	/nfs/dbraw/zinc/42/14/41/390421441.db2.gz	WJYGSQGZVFDTTQ-NEPJUHHUSA-N	1	0	299.415	1.438	30	0		CDACRO
O=C([C@H]1CCC[NH2+]1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000000390539	355908668	/nfs/dbraw/zinc/90/86/68/355908668.db2.gz	BBOVDLDPCZRHEZ-CQSZACIVSA-N	1	0	293.798	1.741	30	0		CDACRO
[NH3+]CCN1C(=O)S[C@@H](Cc2ccccc2Cl)C1=O	ZINC000004312888	356027725	/nfs/dbraw/zinc/02/77/25/356027725.db2.gz	HZAKGDLWZDKRSH-JTQLQIEISA-N	1	0	284.768	1.905	30	0		CDACRO
CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000079418634	277903409	/nfs/dbraw/zinc/90/34/09/277903409.db2.gz	DZPRERKOHPPYQH-RYUDHWBXSA-N	1	0	299.415	1.438	30	0		CDACRO
COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@H]([NH3+])C(C)(C)C)C2(C)C	ZINC000214495253	1175812366	/nfs/dbraw/zinc/81/23/66/1175812366.db2.gz	WUVFBJQCJGPLJV-NAKRPEOUSA-N	1	0	282.384	1.016	30	0		CDACRO
O=C([C@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1	ZINC000004245549	360535665	/nfs/dbraw/zinc/53/56/65/360535665.db2.gz	IMBNVEKXERUTFC-CQSZACIVSA-N	1	0	259.353	1.087	30	0		CDACRO
CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2c1cccc2Cl	ZINC000214489836	1175811499	/nfs/dbraw/zinc/81/14/99/1175811499.db2.gz	OTSZNVZGULSCPG-JTQLQIEISA-N	1	0	251.717	1.437	30	0		CDACRO
[NH3+]CCN1C(=O)S[C@H](Cc2cccc(Cl)c2)C1=O	ZINC000004312884	356027520	/nfs/dbraw/zinc/02/75/20/356027520.db2.gz	ZQAYAZRVZNPEID-SNVBAGLBSA-N	1	0	284.768	1.905	30	0		CDACRO
[NH3+]CCN1C(=O)S[C@@H](Cc2cccc(Cl)c2)C1=O	ZINC000004312886	356027429	/nfs/dbraw/zinc/02/74/29/356027429.db2.gz	ZQAYAZRVZNPEID-JTQLQIEISA-N	1	0	284.768	1.905	30	0		CDACRO
[NH3+]CCN1C(=O)S[C@H](Cc2ccccc2Cl)C1=O	ZINC000004312887	326811021	/nfs/dbraw/zinc/81/10/21/326811021.db2.gz	HZAKGDLWZDKRSH-SNVBAGLBSA-N	1	0	284.768	1.905	30	0		CDACRO
CNC(=O)[C@H]([NH3+])Cc1c[nH]c2c1cccc2Cl	ZINC000214489786	1175811516	/nfs/dbraw/zinc/81/15/16/1175811516.db2.gz	OTSZNVZGULSCPG-SNVBAGLBSA-N	1	0	251.717	1.437	30	0		CDACRO
O=C([C@@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1	ZINC000004245548	360535827	/nfs/dbraw/zinc/53/58/27/360535827.db2.gz	IMBNVEKXERUTFC-AWEZNQCLSA-N	1	0	259.353	1.087	30	0		CDACRO