smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)/C=[NH+]\C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000230204804	373691198	/nfs/dbraw/zinc/69/11/98/373691198.db2.gz	ZLXXUEHPXPZKNX-UGHKADQRSA-N	1	0	308.342	-1.616	50	30		DAEARO
CN1C(=O)N(C)[C@]2(O)c3ccccc3C(=NNC(N)=[NH2+])[C@]12O	ZINC000071928735	282646957	/nfs/dbraw/zinc/64/69/57/282646957.db2.gz	XNRCEXRQHOPNNB-PQQGUCMVSA-N	1	0	304.310	-1.491	50	30		DAEARO
CC(C)C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C(=O)NCC(=O)NO	ZINC000004507558	181117554	/nfs/dbraw/zinc/11/75/54/181117554.db2.gz	WFURCOXZZPMXOC-NXEZZACHSA-N	1	0	300.359	-1.109	50	30		DAEARO
CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NO	ZINC000004507552	181117602	/nfs/dbraw/zinc/11/76/02/181117602.db2.gz	WFURCOXZZPMXOC-UWVGGRQHSA-N	1	0	300.359	-1.109	50	30		DAEARO
C[NH+](C)C[C@@H](O)CN1CCN(c2ncc(C#N)c(N)n2)CC1	ZINC000670437289	545833217	/nfs/dbraw/zinc/83/32/17/545833217.db2.gz	OCPMKSWBKFLACC-GFCCVEGCSA-N	1	0	305.386	-1.195	50	30		DAEARO
CN1C(=O)N(C)[C@]2(O)C(=NNC(N)=[NH2+])c3ccccc3[C@]12O	ZINC000018116967	373636129	/nfs/dbraw/zinc/63/61/29/373636129.db2.gz	XNRCEXRQHOPNNB-OEYQNCTESA-N	1	0	304.310	-1.282	50	30		DAEARO
Cn1c(=O)c(C#N)c(N2CCO[C@@H](C[NH+](C)C)C2)n(C)c1=O	ZINC000069665770	373733070	/nfs/dbraw/zinc/73/30/70/373733070.db2.gz	KOBXKFRVOLCBKF-JTQLQIEISA-N	1	0	307.354	-1.278	50	30		DAEARO
CN1C(=O)N(C)[C@]2(O)C(=NNC(N)=[NH2+])c3ccccc3[C@@]12O	ZINC000020806211	273866053	/nfs/dbraw/zinc/86/60/53/273866053.db2.gz	XNRCEXRQHOPNNB-CSBKXELUSA-N	1	0	304.310	-1.491	50	30		DAEARO
CC(C)C[C@H](NC(=O)[C@H]1CCC[NH2+]1)C(=O)NCC(=O)NO	ZINC000004507556	181117563	/nfs/dbraw/zinc/11/75/63/181117563.db2.gz	WFURCOXZZPMXOC-ZJUUUORDSA-N	1	0	300.359	-1.109	50	30		DAEARO
CN1C(=O)N(C)[C@@]2(O)C(=NNC(N)=[NH2+])c3ccccc3[C@]12O	ZINC000018163121	373637677	/nfs/dbraw/zinc/63/76/77/373637677.db2.gz	XNRCEXRQHOPNNB-SUNVMROUSA-N	1	0	304.310	-1.282	50	30		DAEARO
CN(C)c1ccc(/C=[NH+]/[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000100254250	409340650	/nfs/dbraw/zinc/34/06/50/409340650.db2.gz	HJAWJHKKIRRCDA-AIGFSCLZSA-N	1	0	310.350	-1.029	50	30	biogenic	DAEARO
CN(C)/C=[NH+]\C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000230204808	373690330	/nfs/dbraw/zinc/69/03/30/373690330.db2.gz	ZLXXUEHPXPZKNX-VUPJLDGMSA-N	1	0	308.342	-1.616	50	30		DAEARO
C[NH+]1CCN(CCCNC(=O)C(=O)Nc2n[nH]cc2C#N)CC1	ZINC000020713749	182243292	/nfs/dbraw/zinc/24/32/92/182243292.db2.gz	SLVUNYPLOWLTDB-UHFFFAOYSA-N	1	0	319.369	-1.026	50	30		DAEARO
CN(C)c1ccc(/C=[NH+]/[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000245253555	545765809	/nfs/dbraw/zinc/76/58/09/545765809.db2.gz	HJAWJHKKIRRCDA-GHEXVWDQSA-N	1	0	310.350	-1.029	50	30		DAEARO
Cn1c(=O)c(C#N)c(N2CCO[C@H](C[NH+](C)C)C2)n(C)c1=O	ZINC000069665767	282128352	/nfs/dbraw/zinc/12/83/52/282128352.db2.gz	KOBXKFRVOLCBKF-SNVBAGLBSA-N	1	0	307.354	-1.278	50	30		DAEARO
CN(C)/C=[NH+]/C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000006995605	372909035	/nfs/dbraw/zinc/90/90/35/372909035.db2.gz	ZLXXUEHPXPZKNX-CULDGANSSA-N	1	0	308.342	-1.616	50	30		DAEARO
C=CCN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)NC1=S	ZINC000019996283	182175615	/nfs/dbraw/zinc/17/56/15/182175615.db2.gz	GCPPMTGYRAWXSX-ZHACJKMWSA-N	1	0	323.422	-1.206	50	30		DAEARO
C[NH+](C)C[C@H](O)CN1CCN(c2ncc(C#N)c(N)n2)CC1	ZINC000670437290	545833485	/nfs/dbraw/zinc/83/34/85/545833485.db2.gz	OCPMKSWBKFLACC-LBPRGKRZSA-N	1	0	305.386	-1.195	50	30		DAEARO
CN(C)c1ccc(/C=[NH+]/[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000245253557	545766114	/nfs/dbraw/zinc/76/61/14/545766114.db2.gz	HJAWJHKKIRRCDA-JRCOVWTOSA-N	1	0	310.350	-1.029	50	30		DAEARO
CC(C)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NO	ZINC000004507553	181117632	/nfs/dbraw/zinc/11/76/32/181117632.db2.gz	WFURCOXZZPMXOC-VHSXEESVSA-N	1	0	300.359	-1.109	50	30		DAEARO
CN(C)/C=[NH+]/C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000006995606	372909452	/nfs/dbraw/zinc/90/94/52/372909452.db2.gz	ZLXXUEHPXPZKNX-DUJAKZANSA-N	1	0	308.342	-1.616	50	30		DAEARO
CN(C)c1ccc(/C=[NH+]/[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000245253556	545765272	/nfs/dbraw/zinc/76/52/72/545765272.db2.gz	HJAWJHKKIRRCDA-GMSUJVBKSA-N	1	0	310.350	-1.029	50	30		DAEARO
CN(C)c1ccc(/C=[NH+]/[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@H]2O)cc1	ZINC000245253558	545765697	/nfs/dbraw/zinc/76/56/97/545765697.db2.gz	HJAWJHKKIRRCDA-VSZINZMISA-N	1	0	310.350	-1.029	50	30		DAEARO