smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)[NH2+]C[C@H](O)COc1cc(O)c(O)cc1F	ZINC000005352851	170089078	/nfs/dbraw/zinc/08/90/78/170089078.db2.gz	JEUSMJOCKAGUHH-QMMMGPOBSA-N	1	0	273.304	1.365	1	10		CDCFRO
[NH3+]CCCNc1ccc2c(c1)[n+]([O-])c1ccccc1[n+]2[O-]	ZINC000005733570	170134746	/nfs/dbraw/zinc/13/47/46/170134746.db2.gz	IDHDLLDMJMVEHF-UHFFFAOYSA-N	1	0	284.319	1.021	1	10		CDCFRO
[NH3+]CCc1ccc2c(c1)C(=O)c1c(O)ccc(O)c1C2=O	ZINC000006003473	170167330	/nfs/dbraw/zinc/16/73/30/170167330.db2.gz	KJLLSWJDTYKRGW-UHFFFAOYSA-N	1	0	283.283	1.374	1	10		CDCFRO
CCCCC[n+]1nn(C)c2c1C(=O)c1ccccc1C2=O	ZINC000066165826	520336127	/nfs/dbraw/zinc/33/61/27/520336127.db2.gz	NSOMCJDHOCHGKJ-UHFFFAOYSA-N	1	0	284.339	1.673	1	10		CDCFRO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(O)c(O)c1)[N@@H+]2C	ZINC000027408645	171516448	/nfs/dbraw/zinc/51/64/48/171516448.db2.gz	KFDFKTMFADMFFP-FUTJPDQTSA-N	1	0	291.347	1.837	1	10		CDCFRO
O=[N+]([O-])c1ccc(C[O+]=NN(O)N2CCCC2)cc1	ZINC000096932939	185132055	/nfs/dbraw/zinc/13/20/55/185132055.db2.gz	OXAGONNCVMEQQL-QINSGFPZSA-N	1	0	266.257	2.000	1	10		CDCFRO
CCOC(=O)c1c[nH]nc1N[N+](=O)c1c[nH]ccc1=O	ZINC000040379023	174249643	/nfs/dbraw/zinc/24/96/43/174249643.db2.gz	FYTQQLJLTWAOOS-FOCLMDBBSA-N	1	0	277.240	1.200	1	10		CDCFRO
[NH3+]CCCCCNC(=O)CCc1ccc(O)c(O)c1	ZINC000040576895	174342192	/nfs/dbraw/zinc/34/21/92/174342192.db2.gz	MIHWQFCDFQPRTE-UHFFFAOYSA-N	1	0	266.341	1.276	1	10		CDCFRO
Cc1cc(C[NH2+]CC(N)=O)c(C)n1-c1ccc(F)cc1	ZINC000095615557	185016060	/nfs/dbraw/zinc/01/60/60/185016060.db2.gz	WMIDAZMYWJQDQN-UHFFFAOYSA-N	1	0	275.327	1.808	1	10		CDCFRO
CC(C)(C)[NH2+]C[C@@H](O)COc1cc(O)c(O)cc1F	ZINC000005353143	170089048	/nfs/dbraw/zinc/08/90/48/170089048.db2.gz	JEUSMJOCKAGUHH-MRVPVSSYSA-N	1	0	273.304	1.365	1	10		CDCFRO
COC[C@H](N[N+](=O)CCCCCCC(C)=O)[C@H](C)O	ZINC000095580470	185011054	/nfs/dbraw/zinc/01/10/54/185011054.db2.gz	AGSWTKCQYPFPKZ-ULNCKAKWSA-N	1	0	274.361	1.884	1	10		CDCFRO
COc1ccc(N2CC[N+]3(CCOCC3)CC2)cc1	ZINC000066075631	717132594	/nfs/dbraw/zinc/13/25/94/717132594.db2.gz	GIRQOXUPZSQMAG-UHFFFAOYSA-N	1	0	263.361	1.362	1	10		CDCFRO
CC(C)N/[N+](O)=N/OCOC(=O)c1ccccc1O	ZINC000096933113	185131842	/nfs/dbraw/zinc/13/18/42/185131842.db2.gz	IQFOPDCCFMAUKH-UHFFFAOYSA-N	1	0	269.257	1.314	1	10		CDCFRO
C[NH+](C)CCc1c[nH]c2c1C(=O)c1ccncc1C2=O	ZINC000071341288	176130181	/nfs/dbraw/zinc/13/01/81/176130181.db2.gz	UJXGEAZSCCHOID-UHFFFAOYSA-N	1	0	269.304	1.289	1	10		CDCFRO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(O)c(O)c1)[N@@H+]2C	ZINC000013587614	170566251	/nfs/dbraw/zinc/56/62/51/170566251.db2.gz	KFDFKTMFADMFFP-YFCNSXCBSA-N	1	0	291.347	1.837	1	10		CDCFRO
CCCC[n+]1nn(C)c2c1C(=O)c1ccccc1C2=O	ZINC000066167064	521394772	/nfs/dbraw/zinc/39/47/72/521394772.db2.gz	TXQLIVDIRDRVFL-UHFFFAOYSA-N	1	0	270.312	1.283	1	10		CDCFRO
[NH3+][C@@H](CCCC[NH2+]Cc1ccccc1O)C(=O)[O-]	ZINC000006513866	170208660	/nfs/dbraw/zinc/20/86/60/170208660.db2.gz	UMXGVURALLTGGD-NSHDSACASA-N	1	0	252.314	1.064	1	10		CDCFRO
CCN(CC)/[N+](O)=N\Oc1ccnc(SC)n1	ZINC000040566822	174337927	/nfs/dbraw/zinc/33/79/27/174337927.db2.gz	SLQOJZZDCYGBIB-WYMLVPIESA-N	1	0	257.319	1.712	1	10		CDCFRO
CN(C)/[N+](O)=N\Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000040567300	174338088	/nfs/dbraw/zinc/33/80/88/174338088.db2.gz	HVQOQPVXEVXEAN-UKTHLTGXSA-N	1	0	271.189	1.236	1	10		CDCFRO
CN(C)/[N+](O)=N\Oc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000040566884	174338027	/nfs/dbraw/zinc/33/80/27/174338027.db2.gz	MVJLIJLGZJUMSZ-GXDHUFHOSA-N	1	0	289.179	1.375	1	10		CDCFRO
CC(C)[NH2+]C[C@H](O)COc1cc(O)c(O)c2c1CCCC2	ZINC000169319538	188657267	/nfs/dbraw/zinc/65/72/67/188657267.db2.gz	DUOVMLRRWYUSBE-NSHDSACASA-N	1	0	295.379	1.714	1	10		CDCFRO
C[NH2+]Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1O	ZINC000045366456	175363071	/nfs/dbraw/zinc/36/30/71/175363071.db2.gz	ZQZSVSDOTRUFQP-UHFFFAOYSA-N	1	0	296.330	1.549	1	10		CDCFRO
[NH3+]CC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O	ZINC000072106097	176316404	/nfs/dbraw/zinc/31/64/04/176316404.db2.gz	PNVPVKLRSIIWAI-UHFFFAOYSA-N	1	0	286.312	1.421	1	10		CDCFRO
O=[N+]([O-])c1ccc([O+]=NN(O)N2CCCC2)c([N+](=O)[O-])c1	ZINC000036380541	172627443	/nfs/dbraw/zinc/62/74/43/172627443.db2.gz	IXVUWTKIDGYBHL-PTNGSMBKSA-N	1	0	297.227	1.770	1	10		CDCFRO
COc1ccc(N2CC[N+]3(CCN(C)CC3)CC2)cc1	ZINC000066111947	524440596	/nfs/dbraw/zinc/44/05/96/524440596.db2.gz	ODKRRBXFNBIQBG-UHFFFAOYSA-N	1	0	276.404	1.277	1	10		CDCFRO
C[NH+](C)Cc1ccc(C(=O)NCc2ccco2)c(O)c1O	ZINC000072112762	176317714	/nfs/dbraw/zinc/31/77/14/176317714.db2.gz	HGAHWFJLKVNZSB-UHFFFAOYSA-N	1	0	290.319	1.682	1	10		CDCFRO
C[NH+](C)CCCc1c[nH]c2c1C(=O)c1ccncc1C2=O	ZINC000071341694	176130480	/nfs/dbraw/zinc/13/04/80/176130480.db2.gz	LNYZTFOGOFMYKF-UHFFFAOYSA-N	1	0	283.331	1.679	1	10		CDCFRO