smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@@H+](CCCCCC[NH2+]CCOc1ccccc1OC)[C@H]1CCc2c(ccc(O)c2O)C1	ZINC000003806125	562928574	/nfs/dbraw/zinc/92/85/74/562928574.db2.gz	VXTWRHAXCNDKIL-QHCPKHFHSA-N	2	1	470.654	4.905	1	10		JJCFMP
O=C(Cc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)OCc1c(F)c(F)c(F)c(F)c1F	ZINC000026501599	563029128	/nfs/dbraw/zinc/02/91/28/563029128.db2.gz	DCMKASUHEDBMJM-UHFFFAOYSA-N	2	1	498.492	4.565	1	10		JJCFMP
O=C(NCc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1cccc(C(F)(F)F)c1	ZINC000028764443	563078622	/nfs/dbraw/zinc/07/86/22/563078622.db2.gz	SLROSZJVWNFYCV-UHFFFAOYSA-N	2	1	461.528	4.533	1	10		JJCFMP
CCOC(=O)N1CC[NH+](CCCNc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)CC1	ZINC000045338125	563190743	/nfs/dbraw/zinc/19/07/43/563190743.db2.gz	LPAWGTHBIATNSJ-UHFFFAOYSA-N	2	1	456.974	4.626	1	10		JJCFMP
C[NH+]1CCN(C(=O)c2ccc3[nH+]c4ccccc4c(NC4CC[NH+](Cc5ccccc5)CC4)c3c2)CC1	ZINC000028572098	563071238	/nfs/dbraw/zinc/07/12/38/563071238.db2.gz	KNAXVSSRSRJTTF-UHFFFAOYSA-N	3	1	493.655	4.852	1	10		JJCFMP
CCC[N@@H+](CCCCCC[NH2+]CCOc1ccccc1OC)[C@@H]1CCc2c(ccc(O)c2O)C1	ZINC000026674090	563033499	/nfs/dbraw/zinc/03/34/99/563033499.db2.gz	VXTWRHAXCNDKIL-HSZRJFAPSA-N	2	1	470.654	4.905	1	10		JJCFMP
Oc1ccc(C[C@H]2CCC[NH+]2CCCCCC[N@@H+]2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O	ZINC000003785541	562927935	/nfs/dbraw/zinc/92/79/35/562927935.db2.gz	VQJOREUOQIWUDM-DNQXCXABSA-N	2	1	468.638	4.783	1	10		JJCFMP
CCC[N@@H+](CCCCC[NH2+]CCOc1ccccc1OC)[C@H]1CCc2c(ccc(O)c2O)C1	ZINC000026672364	563033405	/nfs/dbraw/zinc/03/34/05/563033405.db2.gz	GRJSOQKEQOABRN-QFIPXVFZSA-N	2	1	456.627	4.515	1	10		JJCFMP
O=C(NCc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1ccc(C(F)(F)F)cc1	ZINC000028765686	563078715	/nfs/dbraw/zinc/07/87/15/563078715.db2.gz	FVNNGQHDWNBIQK-UHFFFAOYSA-N	2	1	461.528	4.533	1	10		JJCFMP
Oc1ccc(C[C@H]2CCC[N@H+]2CCCCCC[NH+]2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O	ZINC000026471949	563027942	/nfs/dbraw/zinc/02/79/42/563027942.db2.gz	VQJOREUOQIWUDM-PSWAGMNNSA-N	2	1	468.638	4.783	1	10		JJCFMP
Oc1ccc(C[C@H]2CCC[NH+]2CCCCCC[N@@H+]2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O	ZINC000026471949	563027943	/nfs/dbraw/zinc/02/79/43/563027943.db2.gz	VQJOREUOQIWUDM-PSWAGMNNSA-N	2	1	468.638	4.783	1	10		JJCFMP
Oc1ccc(C[C@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O	ZINC000026471949	563027944	/nfs/dbraw/zinc/02/79/44/563027944.db2.gz	VQJOREUOQIWUDM-PSWAGMNNSA-N	2	1	468.638	4.783	1	10		JJCFMP
Oc1c(C[NH+]2CCCC2)cc(CNc2nnc(Cl)c3ccccc32)cc1C[NH+]1CCCC1	ZINC000027881301	563052741	/nfs/dbraw/zinc/05/27/41/563052741.db2.gz	WEUXQWADGJJAEU-UHFFFAOYSA-N	2	1	452.002	4.793	1	10		JJCFMP
CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(C)C)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O	ZINC000045289510	563184679	/nfs/dbraw/zinc/18/46/79/563184679.db2.gz	SBSLHBKEUURSBV-QFIPXVFZSA-N	2	1	484.044	4.649	1	10		JJCFMP
Oc1ccc(C[C@@H]2CCC[NH+]2CCCCCC[N@@H+]2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O	ZINC000026475081	563028125	/nfs/dbraw/zinc/02/81/25/563028125.db2.gz	VQJOREUOQIWUDM-ZEQRLZLVSA-N	2	1	468.638	4.783	1	10		JJCFMP
C[NH+]1CCN(C(=O)c2cccc3c(NCCc4c[nH]c5ccccc45)c4ccccc4[nH+]c23)CC1	ZINC000028570992	563070898	/nfs/dbraw/zinc/07/08/98/563070898.db2.gz	ACEVHWPJPKVUTO-UHFFFAOYSA-N	2	1	463.585	4.912	1	10		JJCFMP
C[NH+]1CCN(C(=O)c2cccc3c(NC4CC[NH+](Cc5ccccc5)CC4)c4ccccc4[nH+]c23)CC1	ZINC000028572110	563071207	/nfs/dbraw/zinc/07/12/07/563071207.db2.gz	DEBBESMZTBVTSU-UHFFFAOYSA-N	3	1	493.655	4.852	1	10		JJCFMP
O=C(NCc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1ccccc1C(F)(F)F	ZINC000028765030	563078561	/nfs/dbraw/zinc/07/85/61/563078561.db2.gz	PEQGTNYPWPTSJE-UHFFFAOYSA-N	2	1	461.528	4.533	1	10		JJCFMP