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)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1	ZINC000004277905	560198160	/nfs/dbraw/zinc/19/81/60/560198160.db2.gz	PPQWKYPCOGFBKK-DLBZAZTESA-N	2	1	393.532	-0.273	40	0	biogenic,in-vitro	GBABMP
CC(=O)NCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CN(C)C)nn1	ZINC000008299052	291093825	/nfs/dbraw/zinc/09/38/25/291093825.db2.gz	NDAMGHYCGWTIEE-UAGQMJEPSA-N	2	1	377.493	-0.698	40	0	biogenic,in-vitro	GBABMP
C[NH+]1CCC([NH2+]C[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCOCC4)O[C@@H]3[C@@H]2O)CC1	ZINC000225512256	560042363	/nfs/dbraw/zinc/04/23/63/560042363.db2.gz	BJJWQERGJDGGML-SGFSRKTBSA-N	2	1	383.489	-0.795	40	0	biogenic,in-vitro	GBABMP
C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)C[NH+]1CCC(C(N)=O)CC1)C2)[C@H]3O	ZINC000257281657	209067474	/nfs/dbraw/zinc/06/74/74/209067474.db2.gz	OQIXEQVBPFFRJY-IMAGNOHSSA-N	2	1	378.517	-0.124	40	0		GBABMP
C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)C[NH+]1CCC(C(N)=O)CC1)C2)[C@H]3O	ZINC000257281657	209067469	/nfs/dbraw/zinc/06/74/69/209067469.db2.gz	OQIXEQVBPFFRJY-IMAGNOHSSA-N	2	1	378.517	-0.124	40	0		GBABMP
C[NH+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)C2)[C@H]3O	ZINC000257292661	209068729	/nfs/dbraw/zinc/06/87/29/209068729.db2.gz	QMMKVXSVGBTLTC-HZORIUTHSA-N	2	1	378.517	-0.124	40	0		GBABMP
C[NH+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)C2)[C@H]3O	ZINC000257292661	209068724	/nfs/dbraw/zinc/06/87/24/209068724.db2.gz	QMMKVXSVGBTLTC-HZORIUTHSA-N	2	1	378.517	-0.124	40	0		GBABMP
C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)[C@H]1CCC[NH+](CC(N)=O)C1)C2)[C@H]3O	ZINC000257292661	209068721	/nfs/dbraw/zinc/06/87/21/209068721.db2.gz	QMMKVXSVGBTLTC-HZORIUTHSA-N	2	1	378.517	-0.124	40	0		GBABMP
C[NH+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)C2)[C@H]3O	ZINC000257292662	209068200	/nfs/dbraw/zinc/06/82/00/209068200.db2.gz	QMMKVXSVGBTLTC-QWTNRPNDSA-N	2	1	378.517	-0.124	40	0		GBABMP
C[NH+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)C2)[C@H]3O	ZINC000257292662	209068197	/nfs/dbraw/zinc/06/81/97/209068197.db2.gz	QMMKVXSVGBTLTC-QWTNRPNDSA-N	2	1	378.517	-0.124	40	0		GBABMP
C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)[C@@H]1CCC[NH+](CC(N)=O)C1)C2)[C@H]3O	ZINC000257292662	209068194	/nfs/dbraw/zinc/06/81/94/209068194.db2.gz	QMMKVXSVGBTLTC-QWTNRPNDSA-N	2	1	378.517	-0.124	40	0		GBABMP
CN1CCN([C@H]2C[N@@H+](Cc3ccc(OCCOCCO)cc3)C[C@@H]2O)CC1	ZINC000585270540	570239360	/nfs/dbraw/zinc/23/93/60/570239360.db2.gz	ZGLHYVGZCXWZNY-PMACEKPBSA-N	2	1	379.501	-0.133	40	0		GBABMP
CN1CCN([C@@H]2C[N@@H+](Cc3ccc(OCCOCCO)cc3)C[C@@H]2O)CC1	ZINC000585270547	570239412	/nfs/dbraw/zinc/23/94/12/570239412.db2.gz	ZGLHYVGZCXWZNY-UXHICEINSA-N	2	1	379.501	-0.133	40	0		GBABMP
CC(=O)NC[C@]1(O)CCN(Cc2cccc(CN3CCOCC3)c2)C[C@H]1O	ZINC000585270819	570239421	/nfs/dbraw/zinc/23/94/21/570239421.db2.gz	BKLXXMIRDJJGIM-WOJBJXKFSA-N	2	1	377.485	-0.047	40	0		GBABMP
Cc1[nH+]ccn1CC[N@H+](C)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585292208	570261584	/nfs/dbraw/zinc/26/15/84/570261584.db2.gz	YKBKEOIHKYWWRN-MSOLQXFVSA-N	2	1	394.497	-0.080	40	0		GBABMP
Cc1[nH+]ccn1CC[N@@H+](C)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585292208	570261583	/nfs/dbraw/zinc/26/15/83/570261583.db2.gz	YKBKEOIHKYWWRN-MSOLQXFVSA-N	2	1	394.497	-0.080	40	0		GBABMP