smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](N)C(=O)NCCNC(=O)[C@H](C)[NH3+]	ZINC000001616444	346459834	/nfs/dbraw/zinc/45/98/34/346459834.db2.gz	QBXMDFSILOGUPI-WDSKDSINSA-N	1	3	202.258	-2.087	40	0		BAABHO
C[C@@H](N)C(=O)NCCNC(=O)[C@@H](C)[NH3+]	ZINC000008655600	346678653	/nfs/dbraw/zinc/67/86/53/346678653.db2.gz	QBXMDFSILOGUPI-PHDIDXHHSA-N	1	3	202.258	-2.087	40	0		BAABHO
CN(C)CCN(C)[C@H]1[C@@H](C[NH3+])O[C@@H](CO)[C@H]1O	ZINC000020464911	388771264	/nfs/dbraw/zinc/77/12/64/388771264.db2.gz	AHKLYBYMCUQESJ-VPOLOUISSA-N	1	3	247.339	-2.072	40	0	biogenic,in-vitro	BAABHO
NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCC1	ZINC000020464999	388771102	/nfs/dbraw/zinc/77/11/02/388771102.db2.gz	VSFDTHHHMPAPAK-XFWSIPNHSA-N	1	3	216.281	-1.470	40	0	biogenic,in-vitro	BAABHO
CN(C)CCNC(=O)CN1CCC[NH2+]CC1	ZINC000061268711	323090613	/nfs/dbraw/zinc/09/06/13/323090613.db2.gz	YFSVEXDZQWZDBN-UHFFFAOYSA-N	1	3	228.340	-1.041	40	0		BAABHO
C[NH+]1CCC(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000225503403	388724592	/nfs/dbraw/zinc/72/45/92/388724592.db2.gz	OHLDCNANAYSYKJ-HKWIRBFKSA-N	1	3	244.335	-1.227	40	0	biogenic,in-vitro	BAABHO
O=C1NC(=O)[C@@H]2C[N@H+](C3CCNCC3)C[C@H]12	ZINC000387477523	343810448	/nfs/dbraw/zinc/81/04/48/343810448.db2.gz	USEWMRUOZZWUNJ-DTORHVGOSA-N	1	3	223.276	-1.057	40	0		BAABHO
O=C1NC(=O)[C@@H]2C[N@@H+](C3CCNCC3)C[C@H]12	ZINC000387477523	343810446	/nfs/dbraw/zinc/81/04/46/343810446.db2.gz	USEWMRUOZZWUNJ-DTORHVGOSA-N	1	3	223.276	-1.057	40	0		BAABHO
O=C1NC(=O)[C@H]2C[NH+](C3CCNCC3)C[C@H]12	ZINC000387477526	343810562	/nfs/dbraw/zinc/81/05/62/343810562.db2.gz	USEWMRUOZZWUNJ-IUCAKERBSA-N	1	3	223.276	-1.057	40	0		BAABHO
O=C1NC(=O)[C@@H]2C[NH+](C3CCNCC3)C[C@@H]12	ZINC000387477533	357966358	/nfs/dbraw/zinc/96/63/58/357966358.db2.gz	USEWMRUOZZWUNJ-RKDXNWHRSA-N	1	3	223.276	-1.057	40	0		BAABHO
CN1C(=O)[C@@H]2CN(CCC[NH3+])C[C@H]2C1=O	ZINC000409424817	343817865	/nfs/dbraw/zinc/81/78/65/343817865.db2.gz	DHOBWSYPVLOVIP-HTQZYQBOSA-N	1	3	211.265	-1.118	40	0		BAABHO
CN1C(=O)[C@H]2CN(CCC[NH3+])C[C@H]2C1=O	ZINC000409424818	343817772	/nfs/dbraw/zinc/81/77/72/343817772.db2.gz	DHOBWSYPVLOVIP-OCAPTIKFSA-N	1	3	211.265	-1.118	40	0		BAABHO
CN1C(=O)[C@H]2CN(CCC[NH3+])C[C@@H]2C1=O	ZINC000409424869	350475843	/nfs/dbraw/zinc/47/58/43/350475843.db2.gz	DHOBWSYPVLOVIP-YUMQZZPRSA-N	1	3	211.265	-1.118	40	0		BAABHO