smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1/C=N/NC(=O)C[N+](C)(C)C	ZINC000001847111	717089811	/nfs/dbraw/zinc/08/98/11/717089811.db2.gz	MZMJZOYAFJXPOJ-XNTDXEJSSA-O	1	0	264.349	1.242	40	50		CDGBRO
CC(/C=N\NC(=O)C[N+](C)(C)C)=C/c1ccccc1	ZINC000031937775	717120608	/nfs/dbraw/zinc/12/06/08/717120608.db2.gz	FZTCVULGVOUSPA-OAPQASQTSA-O	1	0	260.361	1.898	40	50		CDGBRO
CCN(CC)c1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1	ZINC000001847277	717091063	/nfs/dbraw/zinc/09/10/63/717091063.db2.gz	CCHFEWVUEHPWSA-SFQUDFHCSA-O	1	0	291.419	1.689	40	50		CDGBRO
C[N+](C)(C)CC(=O)N/N=C\c1cccc2ccccc12	ZINC000004744297	717098630	/nfs/dbraw/zinc/09/86/30/717098630.db2.gz	GPBIBSMELVAMAZ-BOPFTXTBSA-O	1	0	270.356	1.996	40	50		CDGBRO
C[N+](C)(C)CC(=O)N/N=C/c1c(O)ccc2ccccc21	ZINC000001847205	717090018	/nfs/dbraw/zinc/09/00/18/717090018.db2.gz	JOVJVZQEMZCVIE-UHFFFAOYSA-O	1	0	286.355	1.702	40	50	in-vitro	CDGBRO
S=C1NC[C@H](CI)[N+]12CCCC2	ZINC000005480408	717099579	/nfs/dbraw/zinc/09/95/79/717099579.db2.gz	HKSDQONQNKXMDA-ZETCQYMHSA-O	1	0	297.185	1.289	40	50		CDGBRO
C[N+](C)(C)C[C@@H](Br)CBr	ZINC000003164413	717095489	/nfs/dbraw/zinc/09/54/89/717095489.db2.gz	WQSFCQGMDHMMKW-LURJTMIESA-N	1	0	259.993	1.851	40	50		CDGBRO
Cn1cnc([N+](=O)[O-])c1C[N+](C)(CCCl)CCCl	ZINC000001636820	717088617	/nfs/dbraw/zinc/08/86/17/717088617.db2.gz	MNQCISRTSVHRNY-UHFFFAOYSA-N	1	0	296.178	1.753	40	50		CDGBRO
C[N+]1(C[C@H](Cl)CN2CCCC2=O)CCCCC1	ZINC000000028365	717087796	/nfs/dbraw/zinc/08/77/96/717087796.db2.gz	IPMDBERSVNLQJW-GFCCVEGCSA-N	1	0	259.801	1.847	40	50		CDGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccccc1Cl	ZINC000001847115	717089971	/nfs/dbraw/zinc/08/99/71/717089971.db2.gz	JXTJVWAJSLUNMJ-RIYZIHGNSA-O	1	0	254.741	1.496	40	50		CDGBRO
COc1ccc(Cl)cc1C/C=N/NC(=O)C[N+](C)(C)C	ZINC000006519551	717104715	/nfs/dbraw/zinc/10/47/15/717104715.db2.gz	VIERFHKLHHXWKW-LZYBPNLTSA-O	1	0	298.794	1.699	40	50		CDGBRO
CCN(CC)c1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1	ZINC000031937782	717120587	/nfs/dbraw/zinc/12/05/87/717120587.db2.gz	CCHFEWVUEHPWSA-ATVHPVEESA-O	1	0	291.419	1.689	40	50		CDGBRO
COc1ccc(Cl)cc1C/C=N\NC(=O)C[N+](C)(C)C	ZINC000005048573	717098267	/nfs/dbraw/zinc/09/82/67/717098267.db2.gz	VIERFHKLHHXWKW-PXNMLYILSA-O	1	0	298.794	1.699	40	50		CDGBRO
C[N+](C)(C)CC(=O)N/N=C/c1cccc2ccccc12	ZINC000001847179	717090031	/nfs/dbraw/zinc/09/00/31/717090031.db2.gz	GPBIBSMELVAMAZ-GZTJUZNOSA-O	1	0	270.356	1.996	40	50		CDGBRO
CC(=C\c1ccccc1)/C=N\NC(=O)C[N+](C)(C)C	ZINC000031937773	717120347	/nfs/dbraw/zinc/12/03/47/717120347.db2.gz	FZTCVULGVOUSPA-VKDWSQHSSA-O	1	0	260.361	1.898	40	50		CDGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccccc1Cl	ZINC000031937751	717120172	/nfs/dbraw/zinc/12/01/72/717120172.db2.gz	JXTJVWAJSLUNMJ-ZSOIEALJSA-O	1	0	254.741	1.496	40	50		CDGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccc(Cl)cc1	ZINC000001847202	717089906	/nfs/dbraw/zinc/08/99/06/717089906.db2.gz	MUODYNWAXCTDBD-RIYZIHGNSA-O	1	0	254.741	1.496	40	50		CDGBRO
CC(C)c1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1	ZINC000001847271	717090778	/nfs/dbraw/zinc/09/07/78/717090778.db2.gz	GRRDVTVEEMAEBB-MHWRWJLKSA-O	1	0	262.377	1.966	40	50		CDGBRO
C[N+](C)(C)C[C@H](Br)CBr	ZINC000003164412	717095196	/nfs/dbraw/zinc/09/51/96/717095196.db2.gz	WQSFCQGMDHMMKW-ZCFIWIBFSA-N	1	0	259.993	1.851	40	50		CDGBRO
CC(C)c1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1	ZINC000031937781	717120492	/nfs/dbraw/zinc/12/04/92/717120492.db2.gz	GRRDVTVEEMAEBB-YBEGLDIGSA-O	1	0	262.377	1.966	40	50		CDGBRO
CC(=O)N(CCC[N+](C)(C)C)N(C)c1ccccc1	ZINC000005378066	717099160	/nfs/dbraw/zinc/09/91/60/717099160.db2.gz	OVLFVBVFPYFKQB-UHFFFAOYSA-N	1	0	264.393	1.983	40	50		CDGBRO
CC(/C=N/NC(=O)C[N+](C)(C)C)=C/c1ccccc1	ZINC000004744303	717098625	/nfs/dbraw/zinc/09/86/25/717098625.db2.gz	FZTCVULGVOUSPA-OBHNZGETSA-O	1	0	260.361	1.898	40	50		CDGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccc(Cl)cc1	ZINC000031937772	717120626	/nfs/dbraw/zinc/12/06/26/717120626.db2.gz	MUODYNWAXCTDBD-ZSOIEALJSA-O	1	0	254.741	1.496	40	50		CDGBRO
C[N+]1(CCl)CCN(c2ccc(N)cc2F)CC1	ZINC000498050820	717182930	/nfs/dbraw/zinc/18/29/30/717182930.db2.gz	FVTCGQCPQGZCGO-UHFFFAOYSA-N	1	0	258.748	1.871	40	50		CDGBRO
C[N+]1(C[C@@H](Cl)CN2CCCC2=O)CCCCC1	ZINC000000028366	717087873	/nfs/dbraw/zinc/08/78/73/717087873.db2.gz	IPMDBERSVNLQJW-LBPRGKRZSA-N	1	0	259.801	1.847	40	50		CDGBRO
S=C1NC[C@@H](CI)[N+]12CCCC2	ZINC000005480407	717099082	/nfs/dbraw/zinc/09/90/82/717099082.db2.gz	HKSDQONQNKXMDA-SSDOTTSWSA-O	1	0	297.185	1.289	40	50		CDGBRO
CC(/C=N/NC(=O)C[N+](C)(C)C)=C\c1ccccc1	ZINC000008615906	717107186	/nfs/dbraw/zinc/10/71/86/717107186.db2.gz	FZTCVULGVOUSPA-WFVPKAAFSA-O	1	0	260.361	1.898	40	50		CDGBRO
CCOc1ccccc1/C=N\NC(=O)C[N+](C)(C)C	ZINC000031937750	717120554	/nfs/dbraw/zinc/12/05/54/717120554.db2.gz	MZMJZOYAFJXPOJ-GDNBJRDFSA-O	1	0	264.349	1.242	40	50		CDGBRO