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]([NH3+])c1ccc(N(C)[C@@H]2CCCN(C)C2)c(Cl)c1	ZINC000061698202	525025702	/nfs/dbraw/zinc/02/57/02/525025702.db2.gz	NMZLEZOHLSDILQ-DGCLKSJQSA-N	1	3	281.831	2.890	10	10		CFCEHO
CCN(Cc1ccc(N(C)C)cc1)C[C@@H]1CCC[NH2+]C1	ZINC000220357697	647114439	/nfs/dbraw/zinc/11/44/39/647114439.db2.gz	AKXGWJATEGLDAY-MRXNPFEDSA-N	1	3	275.440	2.574	10	10		CFCEHO
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N1CCC[NH2+]CC1	ZINC000038087000	174098561	/nfs/dbraw/zinc/09/85/61/174098561.db2.gz	CSYQGLJIPIQYKU-QWHCGFSZSA-N	1	3	260.381	2.544	10	10		CFCEHO
CCN(CC)Cc1cc(C[NH2+]C2CC2)ccc1OC	ZINC000045206455	175328578	/nfs/dbraw/zinc/32/85/78/175328578.db2.gz	MYTIIPPIVRHUSD-UHFFFAOYSA-N	1	3	262.397	2.789	10	10		CFCEHO
CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c([O-])ccc3ccccc32)C1	ZINC000037644062	521710367	/nfs/dbraw/zinc/71/03/67/521710367.db2.gz	UAIPZORXMNLEDT-AWEZNQCLSA-N	1	3	284.403	2.977	10	10		CFCEHO
CC[N@H+]1CC[C@@H](C[NH2+]Cc2c([O-])ccc3ccccc32)C1	ZINC000037644062	521710368	/nfs/dbraw/zinc/71/03/68/521710368.db2.gz	UAIPZORXMNLEDT-AWEZNQCLSA-N	1	3	284.403	2.977	10	10		CFCEHO
CC[NH+](CC)Cc1cc(N)cc(C[NH+](CC)CC)c1[O-]	ZINC000034265622	346316041	/nfs/dbraw/zinc/31/60/41/346316041.db2.gz	DZBFFMHEDMTATL-UHFFFAOYSA-N	1	3	279.428	2.658	10	10		CFCEHO
C[C@H]([NH3+])c1ccc(N(C)[C@@H]2CCCN(C)C2)c(Cl)c1	ZINC000061698201	524864627	/nfs/dbraw/zinc/86/46/27/524864627.db2.gz	NMZLEZOHLSDILQ-WCQYABFASA-N	1	3	281.831	2.890	10	10		CFCEHO
CCN(Cc1ccc(N(C)C)cc1)C[C@H]1CCC[NH2+]C1	ZINC000220357774	647114425	/nfs/dbraw/zinc/11/44/25/647114425.db2.gz	AKXGWJATEGLDAY-INIZCTEOSA-N	1	3	275.440	2.574	10	10		CFCEHO
COc1ccc(C[NH2+]C(C)C)cc1CN1CCCC1	ZINC000045206456	175328414	/nfs/dbraw/zinc/32/84/14/175328414.db2.gz	SALDXGLKFCTZNB-UHFFFAOYSA-N	1	3	262.397	2.789	10	10		CFCEHO
COc1ccc(C[NH2+]C2CC2)cc1CN1CCCC1	ZINC000045206457	175328287	/nfs/dbraw/zinc/32/82/87/175328287.db2.gz	YVEAOZNDUYITKD-UHFFFAOYSA-N	1	3	260.381	2.543	10	10		CFCEHO
CC[C@@H](C)N1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1	ZINC000055067377	522134361	/nfs/dbraw/zinc/13/43/61/522134361.db2.gz	QORJNIGCUQXGKN-ZIAGYGMSSA-N	1	3	261.413	2.627	10	10		CFCEHO
CC[C@H](C)N1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1	ZINC000055067379	523960307	/nfs/dbraw/zinc/96/03/07/523960307.db2.gz	QORJNIGCUQXGKN-UONOGXRCSA-N	1	3	261.413	2.627	10	10		CFCEHO
C[C@@H]([NH3+])c1ccc(N(C)C2CCN(C)CC2)c(Cl)c1	ZINC000061694284	525026090	/nfs/dbraw/zinc/02/60/90/525026090.db2.gz	HTBBRZKUZBTCEF-LLVKDONJSA-N	1	3	281.831	2.890	10	10		CFCEHO
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N1CCC[NH2+]CC1	ZINC000038086998	174098369	/nfs/dbraw/zinc/09/83/69/174098369.db2.gz	CSYQGLJIPIQYKU-STQMWFEESA-N	1	3	260.381	2.544	10	10		CFCEHO
CCCN(CCN(C)C)c1ccc(C[NH3+])cc1Cl	ZINC000062793133	521659050	/nfs/dbraw/zinc/65/90/50/521659050.db2.gz	LQPPECNZLWAMFE-UHFFFAOYSA-N	1	3	269.820	2.577	10	10		CFCEHO
[NH3+]CCC[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1[O-]	ZINC000575438638	382770964	/nfs/dbraw/zinc/77/09/64/382770964.db2.gz	MRTGFFYRAJGASK-INIZCTEOSA-N	1	3	286.375	2.710	10	10		CFCEHO
C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(O)ccc1[O-]	ZINC000038019013	173994841	/nfs/dbraw/zinc/99/48/41/173994841.db2.gz	QMJDBMPDLVNWHR-RLAWYHOSSA-N	1	3	290.407	2.621	10	10		CFCEHO
C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(O)ccc1[O-]	ZINC000038019013	173994843	/nfs/dbraw/zinc/99/48/43/173994843.db2.gz	QMJDBMPDLVNWHR-RLAWYHOSSA-N	1	3	290.407	2.621	10	10		CFCEHO
CC[C@@H](C)N1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1	ZINC000055067381	522134304	/nfs/dbraw/zinc/13/43/04/522134304.db2.gz	QORJNIGCUQXGKN-KGLIPLIRSA-N	1	3	261.413	2.627	10	10		CFCEHO
CC[C@H](C)N1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1	ZINC000055067383	523960792	/nfs/dbraw/zinc/96/07/92/523960792.db2.gz	QORJNIGCUQXGKN-KBPBESRZSA-N	1	3	261.413	2.627	10	10		CFCEHO
COc1ccc(C[NH2+]C2CC2)cc1CN1CCCCC1	ZINC000045206459	175328342	/nfs/dbraw/zinc/32/83/42/175328342.db2.gz	RHLFPXLVACXWQK-UHFFFAOYSA-N	1	3	274.408	2.933	10	10		CFCEHO
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N1CCC[NH2+]CC1	ZINC000038086999	174098525	/nfs/dbraw/zinc/09/85/25/174098525.db2.gz	CSYQGLJIPIQYKU-CHWSQXEVSA-N	1	3	260.381	2.544	10	10		CFCEHO
[NH3+]CCC[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1[O-]	ZINC000575438652	382771140	/nfs/dbraw/zinc/77/11/40/382771140.db2.gz	MRTGFFYRAJGASK-MRXNPFEDSA-N	1	3	286.375	2.710	10	10		CFCEHO
C[C@H]([NH3+])c1ccc(N(C)C2CCN(C)CC2)c(Cl)c1	ZINC000061694283	524865390	/nfs/dbraw/zinc/86/53/90/524865390.db2.gz	HTBBRZKUZBTCEF-NSHDSACASA-N	1	3	281.831	2.890	10	10		CFCEHO
C[C@H](c1ccc(N(C)C)cc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1	ZINC000312272905	618915773	/nfs/dbraw/zinc/91/57/73/618915773.db2.gz	IQASYWIFCDNQFX-CKEIUWERSA-N	1	3	275.440	2.730	10	10		CFCEHO
C[C@H](c1ccc(N(C)C)cc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1	ZINC000312272905	618915774	/nfs/dbraw/zinc/91/57/74/618915774.db2.gz	IQASYWIFCDNQFX-CKEIUWERSA-N	1	3	275.440	2.730	10	10		CFCEHO
COc1cccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c1O	ZINC000020143278	171028965	/nfs/dbraw/zinc/02/89/65/171028965.db2.gz	NUGLAKJBTNVGPU-UHFFFAOYSA-N	1	3	292.423	2.800	10	10		CFCEHO
CC[N@@H+]1CC[C@H](C[NH2+]Cc2c([O-])ccc3ccccc32)C1	ZINC000037644061	521717312	/nfs/dbraw/zinc/71/73/12/521717312.db2.gz	UAIPZORXMNLEDT-CQSZACIVSA-N	1	3	284.403	2.977	10	10		CFCEHO
CC[N@H+]1CC[C@H](C[NH2+]Cc2c([O-])ccc3ccccc32)C1	ZINC000037644061	521717313	/nfs/dbraw/zinc/71/73/13/521717313.db2.gz	UAIPZORXMNLEDT-CQSZACIVSA-N	1	3	284.403	2.977	10	10		CFCEHO
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N1CCC[NH2+]CC1	ZINC000038086997	174098492	/nfs/dbraw/zinc/09/84/92/174098492.db2.gz	CSYQGLJIPIQYKU-OLZOCXBDSA-N	1	3	260.381	2.544	10	10		CFCEHO