smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@H]1[C@@H](C[NH2+]C(C)C)O[C@@H](CO)[C@H]1O	ZINC000020465675	388771945	/nfs/dbraw/zinc/77/19/45/388771945.db2.gz	BPKAOSDOLKIPNK-XFWSIPNHSA-N	2	1	218.297	-1.307	40	0	biogenic,in-vitro	BAABMP
COC(=O)[C@@H]([NH3+])CC[C@H]([NH3+])C(=O)OC	ZINC000039293913	349309090	/nfs/dbraw/zinc/30/90/90/349309090.db2.gz	AWPDHQWTELERJT-WDSKDSINSA-N	2	1	204.226	-1.233	40	0		BAABMP
COC(=O)[C@H]([NH3+])CC[C@@H]([NH3+])C(=O)OC	ZINC000039293915	349309221	/nfs/dbraw/zinc/30/92/21/349309221.db2.gz	AWPDHQWTELERJT-PHDIDXHHSA-N	2	1	204.226	-1.233	40	0		BAABMP
COCC[NH+]1CCN(C(=O)C[NH3+])CC1	ZINC000049812296	174308534	/nfs/dbraw/zinc/30/85/34/174308534.db2.gz	UYFJXJKURBOIJS-UHFFFAOYSA-N	2	1	201.270	-1.264	40	0		BAABMP
CNC(=O)[C@@H]1CN(C(=O)C[NH2+]C)CC[N@@H+](C)C1	ZINC000205691384	368358425	/nfs/dbraw/zinc/35/84/25/368358425.db2.gz	VLUUMXWYCQXUPN-VIFPVBQESA-N	2	1	242.323	-1.658	40	0		BAABMP
CNC(=O)[C@H]1CN(C(=O)C[NH2+]C)CC[N@@H+](C)C1	ZINC000205691408	368358845	/nfs/dbraw/zinc/35/88/45/368358845.db2.gz	VLUUMXWYCQXUPN-SECBINFHSA-N	2	1	242.323	-1.658	40	0		BAABMP
C[NH+]1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000225503403	388724588	/nfs/dbraw/zinc/72/45/88/388724588.db2.gz	OHLDCNANAYSYKJ-HKWIRBFKSA-N	2	1	244.335	-1.227	40	0	biogenic,in-vitro	BAABMP
C[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H](C(N)=O)C1	ZINC000257254794	385759333	/nfs/dbraw/zinc/75/93/33/385759333.db2.gz	KESHKOQHEITTPN-SECBINFHSA-N	2	1	242.323	-1.577	40	0		BAABMP
C[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H](C(N)=O)C1	ZINC000257254794	385759331	/nfs/dbraw/zinc/75/93/31/385759331.db2.gz	KESHKOQHEITTPN-SECBINFHSA-N	2	1	242.323	-1.577	40	0		BAABMP
C[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H](C(N)=O)C1	ZINC000257254795	385757640	/nfs/dbraw/zinc/75/76/40/385757640.db2.gz	KESHKOQHEITTPN-VIFPVBQESA-N	2	1	242.323	-1.577	40	0		BAABMP
C[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H](C(N)=O)C1	ZINC000257254795	385757634	/nfs/dbraw/zinc/75/76/34/385757634.db2.gz	KESHKOQHEITTPN-VIFPVBQESA-N	2	1	242.323	-1.577	40	0		BAABMP
COCC[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1	ZINC000262265987	135289051	/nfs/dbraw/zinc/28/90/51/135289051.db2.gz	SAYJNWPFQZKLPK-UHFFFAOYSA-N	2	1	227.308	-1.004	40	0		BAABMP
O=C1NC(=O)[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@H]12	ZINC000387477523	343810444	/nfs/dbraw/zinc/81/04/44/343810444.db2.gz	USEWMRUOZZWUNJ-DTORHVGOSA-N	2	1	223.276	-1.057	40	0		BAABMP
[NH3+]CCC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1	ZINC000409429296	343805243	/nfs/dbraw/zinc/80/52/43/343805243.db2.gz	QOOWOSYSYZCYCJ-HTQZYQBOSA-N	2	1	211.265	-1.070	40	0		BAABMP
[NH3+]CCC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1	ZINC000409429299	343805004	/nfs/dbraw/zinc/80/50/04/343805004.db2.gz	QOOWOSYSYZCYCJ-JGVFFNPUSA-N	2	1	211.265	-1.070	40	0		BAABMP
[NH3+]CCC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1	ZINC000409429300	343805288	/nfs/dbraw/zinc/80/52/88/343805288.db2.gz	QOOWOSYSYZCYCJ-SFYZADRCSA-N	2	1	211.265	-1.070	40	0		BAABMP
[NH3+]CCC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1	ZINC000409429301	343805211	/nfs/dbraw/zinc/80/52/11/343805211.db2.gz	QOOWOSYSYZCYCJ-YUMQZZPRSA-N	2	1	211.265	-1.070	40	0		BAABMP