smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c(=O)n(C)c1=O	ZINC000285257067	277129468	/nfs/dbraw/zinc/12/94/68/277129468.db2.gz	ZJNXTNIVVPQUKI-RYUDHWBXSA-N	1	1	319.365	-1.135	10	30		DAEEMO
Cn1c(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c(=O)n(C)c1=O	ZINC000285257067	277129469	/nfs/dbraw/zinc/12/94/69/277129469.db2.gz	ZJNXTNIVVPQUKI-RYUDHWBXSA-N	1	1	319.365	-1.135	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)n(C)c1=O	ZINC000284488700	277180768	/nfs/dbraw/zinc/18/07/68/277180768.db2.gz	HGSNUDRJFKOOPH-NWDGAFQWSA-N	1	1	319.365	-1.135	10	30		DAEEMO
C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@H]1CCc2ncnn2C1	ZINC000261847903	337611575	/nfs/dbraw/zinc/61/15/75/337611575.db2.gz	PVBPPCRFSQKNOS-QWHCGFSZSA-N	1	1	318.429	-1.242	10	30		DAEEMO
O=C([C@H](O)CO)[C@@H](O)C(CO)NNc1[nH+]ncc2ccccc21	ZINC000022047822	527505285	/nfs/dbraw/zinc/50/52/85/527505285.db2.gz	JTXLYEKQSQUJTI-HWZSSGKQSA-N	1	1	322.321	-1.535	10	30	in-vitro	DAEEMO
C[C@H](O)C[N@H+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C	ZINC000264327419	545806056	/nfs/dbraw/zinc/80/60/56/545806056.db2.gz	LWOIWEYFHZVJSP-MNOVXSKESA-N	1	1	321.381	-1.153	10	30		DAEEMO
C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@@H]1CCc2ncnn2C1	ZINC000261847897	662684415	/nfs/dbraw/zinc/68/44/15/662684415.db2.gz	PVBPPCRFSQKNOS-CHWSQXEVSA-N	1	1	318.429	-1.242	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)n(C)c1=O	ZINC000284488696	277154810	/nfs/dbraw/zinc/15/48/10/277154810.db2.gz	HGSNUDRJFKOOPH-NEPJUHHUSA-N	1	1	319.365	-1.135	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n(C)c1=O	ZINC000301671707	409376923	/nfs/dbraw/zinc/37/69/23/409376923.db2.gz	QSLOLVNJXUBIQQ-QWRGUYRKSA-N	1	1	305.338	-1.525	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n(C)c1=O	ZINC000301671707	409376932	/nfs/dbraw/zinc/37/69/32/409376932.db2.gz	QSLOLVNJXUBIQQ-QWRGUYRKSA-N	1	1	305.338	-1.525	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n(C)c1=O	ZINC000153109762	409625516	/nfs/dbraw/zinc/62/55/16/409625516.db2.gz	QSLOLVNJXUBIQQ-GHMZBOCLSA-N	1	1	305.338	-1.525	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n(C)c1=O	ZINC000153109762	409625524	/nfs/dbraw/zinc/62/55/24/409625524.db2.gz	QSLOLVNJXUBIQQ-GHMZBOCLSA-N	1	1	305.338	-1.525	10	30		DAEEMO
O=C([C@H](O)CO)[C@H](O)C(CO)NNc1[nH+]ncc2ccccc21	ZINC000035636258	527504652	/nfs/dbraw/zinc/50/46/52/527504652.db2.gz	JTXLYEKQSQUJTI-MXDJLZDASA-N	1	1	322.321	-1.535	10	30	in-vitro	DAEEMO
C[C@@H](O)C[N@H+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1C	ZINC000105790562	274270628	/nfs/dbraw/zinc/27/06/28/274270628.db2.gz	LWOIWEYFHZVJSP-WDEREUQCSA-N	1	1	321.381	-1.153	10	30		DAEEMO
Cn1c(N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c(C#N)c(=O)n(C)c1=O	ZINC000284488705	290169742	/nfs/dbraw/zinc/16/97/42/290169742.db2.gz	HGSNUDRJFKOOPH-RYUDHWBXSA-N	1	1	319.365	-1.135	10	30		DAEEMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)CC1	ZINC000408440741	332547262	/nfs/dbraw/zinc/54/72/62/332547262.db2.gz	FVAOJZXIWDEVSY-BFHYXJOUSA-N	1	1	310.398	-1.284	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n(C)c1=O	ZINC000153109870	373440999	/nfs/dbraw/zinc/44/09/99/373440999.db2.gz	QSLOLVNJXUBIQQ-WDEREUQCSA-N	1	1	305.338	-1.525	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n(C)c1=O	ZINC000153109870	373441008	/nfs/dbraw/zinc/44/10/08/373441008.db2.gz	QSLOLVNJXUBIQQ-WDEREUQCSA-N	1	1	305.338	-1.525	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n(C)c1=O	ZINC000285257066	131151882	/nfs/dbraw/zinc/15/18/82/131151882.db2.gz	ZJNXTNIVVPQUKI-NWDGAFQWSA-N	1	1	319.365	-1.135	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n(C)c1=O	ZINC000285257066	131151884	/nfs/dbraw/zinc/15/18/84/131151884.db2.gz	ZJNXTNIVVPQUKI-NWDGAFQWSA-N	1	1	319.365	-1.135	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n(C)c1=O	ZINC000285257065	131151993	/nfs/dbraw/zinc/15/19/93/131151993.db2.gz	ZJNXTNIVVPQUKI-NEPJUHHUSA-N	1	1	319.365	-1.135	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n(C)c1=O	ZINC000285257065	131151994	/nfs/dbraw/zinc/15/19/94/131151994.db2.gz	ZJNXTNIVVPQUKI-NEPJUHHUSA-N	1	1	319.365	-1.135	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n(C)c1=O	ZINC000301671706	263252676	/nfs/dbraw/zinc/25/26/76/263252676.db2.gz	QSLOLVNJXUBIQQ-MNOVXSKESA-N	1	1	305.338	-1.525	10	30		DAEEMO
Cn1c(=O)c(C#N)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n(C)c1=O	ZINC000301671706	263252678	/nfs/dbraw/zinc/25/26/78/263252678.db2.gz	QSLOLVNJXUBIQQ-MNOVXSKESA-N	1	1	305.338	-1.525	10	30		DAEEMO
C[C@@H](O)C[N@H+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C	ZINC000105790559	274270590	/nfs/dbraw/zinc/27/05/90/274270590.db2.gz	LWOIWEYFHZVJSP-GHMZBOCLSA-N	1	1	321.381	-1.153	10	30		DAEEMO
Cn1c(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C#N)c(=O)n(C)c1=O	ZINC000285257068	277120925	/nfs/dbraw/zinc/12/09/25/277120925.db2.gz	ZJNXTNIVVPQUKI-VXGBXAGGSA-N	1	1	319.365	-1.135	10	30		DAEEMO
Cn1c(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C#N)c(=O)n(C)c1=O	ZINC000285257068	277120928	/nfs/dbraw/zinc/12/09/28/277120928.db2.gz	ZJNXTNIVVPQUKI-VXGBXAGGSA-N	1	1	319.365	-1.135	10	30		DAEEMO
Cn1c(N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c(C#N)c(=O)n(C)c1=O	ZINC000284488710	290237778	/nfs/dbraw/zinc/23/77/78/290237778.db2.gz	HGSNUDRJFKOOPH-VXGBXAGGSA-N	1	1	319.365	-1.135	10	30		DAEEMO
O=C([C@H](O)CO)[C@H](O)C(CO)NNc1[nH+]ncc2ccccc21	ZINC000035636259	527505250	/nfs/dbraw/zinc/50/52/50/527505250.db2.gz	JTXLYEKQSQUJTI-MDPBIHLYSA-N	1	1	322.321	-1.535	10	30	in-vitro	DAEEMO
O=C([C@H](O)CO)[C@@H](O)C(CO)NNc1[nH+]ncc2ccccc21	ZINC000022047813	527505722	/nfs/dbraw/zinc/50/57/22/527505722.db2.gz	JTXLYEKQSQUJTI-BGZBJWSCSA-N	1	1	322.321	-1.535	10	30	in-vitro	DAEEMO