smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CCN1CCC[N@@H+](CCC(N)=O)CCN(CCC(N)=O)CCC[NH+](CCC(N)=O)CC1	ZINC000022861099	555962594	/nfs/dbraw/zinc/96/25/94/555962594.db2.gz	MFCMEXXBOCYXAY-UHFFFAOYSA-N	2	1	484.646	-2.510	40	0		JAABMP
CC[NH2+][C@@H]1C[C@H](N)[C@@H](O[C@@H]2OC(C[NH3+])=CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1O	ZINC000043562156	520126117	/nfs/dbraw/zinc/12/61/17/520126117.db2.gz	CIDUJQMULVCIBT-QLUHXCBFSA-N	4	1	475.587	-3.201	40	0	in-vitro	JAABMP
CC[NH2+][C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(C[NH3+])=CC[C@@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1O	ZINC000043562157	520125815	/nfs/dbraw/zinc/12/58/15/520125815.db2.gz	CIDUJQMULVCIBT-JSLQJVODSA-N	4	1	475.587	-3.201	40	0		JAABMP
CC[NH2+][C@H]1C[C@H](N)[C@@H](O[C@H]2OC(C[NH3+])=CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1O	ZINC000072332892	569703020	/nfs/dbraw/zinc/70/30/20/569703020.db2.gz	CIDUJQMULVCIBT-COJHAFKSSA-N	4	1	475.587	-3.201	40	0		JAABMP
CC[NH2+][C@@H]1C[C@@H](N)[C@@H](O[C@H]2OC(C[NH3+])=CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1O	ZINC000072332893	569703061	/nfs/dbraw/zinc/70/30/61/569703061.db2.gz	CIDUJQMULVCIBT-CGLRVDNYSA-N	4	1	475.587	-3.201	40	0		JAABMP
CC[NH2+][C@H]1C[C@@H](N)[C@@H](O[C@H]2OC(C[NH3+])=CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1O	ZINC000072332894	569703071	/nfs/dbraw/zinc/70/30/71/569703071.db2.gz	CIDUJQMULVCIBT-BILVNQDGSA-N	4	1	475.587	-3.201	40	0		JAABMP
CC[NH2+][C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](C[NH3+])CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1O	ZINC000100735707	569768160	/nfs/dbraw/zinc/76/81/60/569768160.db2.gz	NZGMVSJQULXLHF-RAKCNUBFSA-N	4	1	477.603	-3.326	40	0		JAABMP
CC[NH2+][C@@H]1C[C@H](N)[C@@H](O[C@@H]2O[C@H](C[NH3+])CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1O	ZINC000103650285	569836946	/nfs/dbraw/zinc/83/69/46/569836946.db2.gz	NZGMVSJQULXLHF-QOGHJSHSSA-N	4	1	477.603	-3.326	40	0		JAABMP
CC[NH2+][C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(C[NH3+])=CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@@H]([NH2+]C)[C@H]1O	ZINC000257198557	570107365	/nfs/dbraw/zinc/10/73/65/570107365.db2.gz	CIDUJQMULVCIBT-NWCKKLKYSA-N	4	1	475.587	-3.201	40	0		JAABMP
CC[NH2+][C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(C[NH3+])=CC[C@@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@@H]([NH2+]C)[C@H]1O	ZINC000257198558	570107356	/nfs/dbraw/zinc/10/73/56/570107356.db2.gz	CIDUJQMULVCIBT-QUPBKEOHSA-N	4	1	475.587	-3.201	40	0		JAABMP
CC[NH2+][C@@H]1C[C@H](N)[C@@H](O[C@@H]2OC(C[NH3+])=CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@@H]1O	ZINC001547138052	1067509473	/nfs/dbraw/zinc/50/94/73/1067509473.db2.gz	CIDUJQMULVCIBT-VDNNRZRFSA-N	4	1	475.587	-3.201	40	0		JAABMP
[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])C[C@@H]1O	ZINC001560408703	1067522176	/nfs/dbraw/zinc/52/21/76/1067522176.db2.gz	WZWMAIOFVYSIHN-SVFUGXSASA-N	5	1	466.512	-6.132	40	0		JAABMP