smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1	ZINC001205681465	773006442	/nfs/dbraw/zinc/00/64/42/773006442.db2.gz	JTFXIWOLYAPUET-SFHVURJKSA-N	2	3	318.465	0.772	20	10		DCCDHP
NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1	ZINC001205681465	773006446	/nfs/dbraw/zinc/00/64/46/773006446.db2.gz	JTFXIWOLYAPUET-SFHVURJKSA-N	2	3	318.465	0.772	20	10		DCCDHP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC001235184767	769775426	/nfs/dbraw/zinc/77/54/26/769775426.db2.gz	NMHVFWAIKGXKHW-ZBFHGGJFSA-N	2	3	316.449	0.843	20	10		DCCDHP
CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1CC[NH2+]C1	ZINC001235843143	769950805	/nfs/dbraw/zinc/95/08/05/769950805.db2.gz	WISNPAVTDJYWJS-AWEZNQCLSA-N	2	3	304.438	0.843	20	10		DCCDHP
Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3C[NH2+]C3)C1)CNCCO2	ZINC001235340427	769820186	/nfs/dbraw/zinc/82/01/86/769820186.db2.gz	IVXUNNRQSWBFME-LBPRGKRZSA-N	2	3	303.406	0.916	20	10		DCCDHP
Oc1cc2c(cc1C[N@H+]1CC[C@H](C3C[NH2+]C3)C1)CNCCO2	ZINC001235340427	769820199	/nfs/dbraw/zinc/82/01/99/769820199.db2.gz	IVXUNNRQSWBFME-LBPRGKRZSA-N	2	3	303.406	0.916	20	10		DCCDHP
N[C@@]12CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2	ZINC001235991395	769964631	/nfs/dbraw/zinc/96/46/31/769964631.db2.gz	OEMRHYJZKYRBBH-WMLDXEAASA-N	2	3	302.422	0.725	20	10		DCCDHP
N[C@@]12CC[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2	ZINC001235991395	769964640	/nfs/dbraw/zinc/96/46/40/769964640.db2.gz	OEMRHYJZKYRBBH-WMLDXEAASA-N	2	3	302.422	0.725	20	10		DCCDHP
C[NH2+]C[C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001236065936	769976752	/nfs/dbraw/zinc/97/67/52/769976752.db2.gz	CVHSTHJAXNXGPU-AWEZNQCLSA-N	2	3	304.438	0.843	20	10		DCCDHP
CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CC[NH2+]C1	ZINC001235843145	769950599	/nfs/dbraw/zinc/95/05/99/769950599.db2.gz	WISNPAVTDJYWJS-CQSZACIVSA-N	2	3	304.438	0.843	20	10		DCCDHP
N[C@]12CC[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2	ZINC001235991391	769965082	/nfs/dbraw/zinc/96/50/82/769965082.db2.gz	OEMRHYJZKYRBBH-PBHICJAKSA-N	2	3	302.422	0.725	20	10		DCCDHP
N[C@]12CC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2	ZINC001235991391	769965091	/nfs/dbraw/zinc/96/50/91/769965091.db2.gz	OEMRHYJZKYRBBH-PBHICJAKSA-N	2	3	302.422	0.725	20	10		DCCDHP
CCN1CCN(c2ccc(CN(CC[NH3+])CC[NH3+])cc2)CC1	ZINC001235877620	769958754	/nfs/dbraw/zinc/95/87/54/769958754.db2.gz	OPPKVBNKMNBQPU-UHFFFAOYSA-N	2	3	305.470	0.548	20	10		DCCDHP
N[C@@]12CC[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2	ZINC001235991393	769964566	/nfs/dbraw/zinc/96/45/66/769964566.db2.gz	OEMRHYJZKYRBBH-RHSMWYFYSA-N	2	3	302.422	0.725	20	10		DCCDHP
N[C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2	ZINC001235991393	769964571	/nfs/dbraw/zinc/96/45/71/769964571.db2.gz	OEMRHYJZKYRBBH-RHSMWYFYSA-N	2	3	302.422	0.725	20	10		DCCDHP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@]2(CC[NH2+]C2)C1	ZINC001235034013	769747450	/nfs/dbraw/zinc/74/74/50/769747450.db2.gz	RWJPPGCODRDUST-GOSISDBHSA-N	2	3	316.449	0.987	20	10		DCCDHP
C[NH2+]C[C@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001236065937	769978554	/nfs/dbraw/zinc/97/85/54/769978554.db2.gz	CVHSTHJAXNXGPU-CQSZACIVSA-N	2	3	304.438	0.843	20	10		DCCDHP
N[C@]12CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2	ZINC001235991397	769964403	/nfs/dbraw/zinc/96/44/03/769964403.db2.gz	OEMRHYJZKYRBBH-YOEHRIQHSA-N	2	3	302.422	0.725	20	10		DCCDHP
N[C@]12CC[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2	ZINC001235991397	769964410	/nfs/dbraw/zinc/96/44/10/769964410.db2.gz	OEMRHYJZKYRBBH-YOEHRIQHSA-N	2	3	302.422	0.725	20	10		DCCDHP
Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3C[NH2+]C3)C1)CNCCO2	ZINC001235340425	769820806	/nfs/dbraw/zinc/82/08/06/769820806.db2.gz	IVXUNNRQSWBFME-GFCCVEGCSA-N	2	3	303.406	0.916	20	10		DCCDHP
Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3C[NH2+]C3)C1)CNCCO2	ZINC001235340425	769820818	/nfs/dbraw/zinc/82/08/18/769820818.db2.gz	IVXUNNRQSWBFME-GFCCVEGCSA-N	2	3	303.406	0.916	20	10		DCCDHP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC[NH2+]CCC1	ZINC001236238777	769985955	/nfs/dbraw/zinc/98/59/55/769985955.db2.gz	BKCGSLQYIKXYCN-UHFFFAOYSA-N	2	3	304.438	0.987	20	10		DCCDHP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@]2(CC[NH2+]C2)C1	ZINC001235034017	769747534	/nfs/dbraw/zinc/74/75/34/769747534.db2.gz	RWJPPGCODRDUST-SFHVURJKSA-N	2	3	316.449	0.987	20	10		DCCDHP
NC[C@]1(O)CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1	ZINC001205681464	773006146	/nfs/dbraw/zinc/00/61/46/773006146.db2.gz	JTFXIWOLYAPUET-GOSISDBHSA-N	2	3	318.465	0.772	20	10		DCCDHP
NC[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1	ZINC001205681464	773006149	/nfs/dbraw/zinc/00/61/49/773006149.db2.gz	JTFXIWOLYAPUET-GOSISDBHSA-N	2	3	318.465	0.772	20	10		DCCDHP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1	ZINC001234977689	769730674	/nfs/dbraw/zinc/73/06/74/769730674.db2.gz	APXTYUWRMFOAAL-GASCZTMLSA-N	2	3	302.422	0.453	20	10		DCCDHP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001235198103	769777409	/nfs/dbraw/zinc/77/74/09/769777409.db2.gz	NMHVFWAIKGXKHW-GDBMZVCRSA-N	2	3	316.449	0.843	20	10		DCCDHP