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	562928573	/nfs/dbraw/zinc/92/85/73/562928573.db2.gz	VXTWRHAXCNDKIL-QHCPKHFHSA-N	2	0	470.654	4.905	1	10		JJCFRP
O=C(c1cccc2c(NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3[nH+]c12)N1CCOCC1	ZINC000028571070	563070928	/nfs/dbraw/zinc/07/09/28/563070928.db2.gz	MJOHBXRYOBCFRN-UHFFFAOYSA-N	2	0	480.612	4.937	1	10		JJCFRP
CN1CCN(C(=O)c2ccc3[nH+]c4ccccc4c(NC4CC[NH+](Cc5ccccc5)CC4)c3c2)CC1	ZINC000028572098	563071236	/nfs/dbraw/zinc/07/12/36/563071236.db2.gz	KNAXVSSRSRJTTF-UHFFFAOYSA-N	2	0	493.655	4.852	1	10		JJCFRP
CCC[N@H+](CCCCCC[NH2+]CCOc1ccccc1OC)[C@@H]1CCc2c(ccc(O)c2O)C1	ZINC000026674090	563033498	/nfs/dbraw/zinc/03/34/98/563033498.db2.gz	VXTWRHAXCNDKIL-HSZRJFAPSA-N	2	0	470.654	4.905	1	10		JJCFRP
CC(C)[NH+](CCNc1ccc(NCC[NH+](C(C)C)C(C)C)c2c1C(=O)c1ccncc1C2=O)C(C)C	ZINC000027897402	563053119	/nfs/dbraw/zinc/05/31/19/563053119.db2.gz	UJKGGJILFARNKE-UHFFFAOYSA-N	2	0	493.696	4.918	1	10		JJCFRP
CN1CCN(C(=O)c2ccc3c(c2)[nH+]c2ccccc2c3NCCc2c[nH]c3ccccc23)CC1	ZINC000028571320	563071028	/nfs/dbraw/zinc/07/10/28/563071028.db2.gz	HQNJABMDZQFZJM-UHFFFAOYSA-N	2	0	463.585	4.912	1	10		JJCFRP
Oc1ccc(C[C@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O	ZINC000003785541	562927934	/nfs/dbraw/zinc/92/79/34/562927934.db2.gz	VQJOREUOQIWUDM-DNQXCXABSA-N	2	0	468.638	4.783	1	10		JJCFRP
CC(=O)Nc1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(NS(=O)(=O)CCCC[NH3+])cc1	ZINC000026836948	563036672	/nfs/dbraw/zinc/03/66/72/563036672.db2.gz	KSYXWHMUUQUIFQ-UHFFFAOYSA-N	2	0	477.590	4.571	1	10		JJCFRP
CCC[N@H+](CCCCC[NH2+]CCOc1ccccc1OC)[C@H]1CCc2c(ccc(O)c2O)C1	ZINC000026672364	563033404	/nfs/dbraw/zinc/03/34/04/563033404.db2.gz	GRJSOQKEQOABRN-QFIPXVFZSA-N	2	0	456.627	4.515	1	10		JJCFRP
CN1CCN(C(=O)c2ccc3c(c2)[nH+]c2ccccc2c3NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000028569650	563070594	/nfs/dbraw/zinc/07/05/94/563070594.db2.gz	OKHVQTVUXLMYTQ-UHFFFAOYSA-N	2	0	493.655	4.852	1	10		JJCFRP
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C[NH+](C)C)cccc12	ZINC000026842692	563036970	/nfs/dbraw/zinc/03/69/70/563036970.db2.gz	KANJADYTBUCFEA-UHFFFAOYSA-N	2	0	450.564	4.573	1	10		JJCFRP
CS(=O)(=O)Nc1cc(C[n+]2ccccc2)cc(Nc2c3ccccc3[nH+]c3ccccc32)c1	ZINC000026958940	563038129	/nfs/dbraw/zinc/03/81/29/563038129.db2.gz	WDMNVEQVXDUFIS-UHFFFAOYSA-N	2	0	455.563	4.839	1	10		JJCFRP
Oc1ccc(C[C@H]2CCC[N@@H+]2CCCCCC[NH+]2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O	ZINC000026471949	563027938	/nfs/dbraw/zinc/02/79/38/563027938.db2.gz	VQJOREUOQIWUDM-PSWAGMNNSA-N	2	0	468.638	4.783	1	10		JJCFRP
CC(C)(c1ccc(O)c(C[NH+]2CCSCC2)c1)c1ccc(O)c(C[NH+]2CCSCC2)c1	ZINC000040395154	563139023	/nfs/dbraw/zinc/13/90/23/563139023.db2.gz	OWQSBRLRJSBBKH-UHFFFAOYSA-N	2	0	458.693	4.521	1	10		JJCFRP
CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(C)C)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O	ZINC000045289510	563184677	/nfs/dbraw/zinc/18/46/77/563184677.db2.gz	SBSLHBKEUURSBV-QFIPXVFZSA-N	2	0	484.044	4.649	1	10		JJCFRP
C[N+](C)(C)c1ccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474294	562966655	/nfs/dbraw/zinc/96/66/55/562966655.db2.gz	POFFSHVKVGVVRB-UHFFFAOYSA-O	2	0	475.016	4.754	1	10		JJCFRP
NC(=[NH2+])NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc(Cl)ccc32)cc1	ZINC000026846242	563037156	/nfs/dbraw/zinc/03/71/56/563037156.db2.gz	BRCXKLZYGNNHLH-UHFFFAOYSA-N	2	0	497.024	4.790	1	10		JJCFRP
CCc1c(O)c(O)ccc1CC[NH2+]CCCCCC[NH2+]CCc1ccc(Br)cc1	ZINC000045193664	563176791	/nfs/dbraw/zinc/17/67/91/563176791.db2.gz	BQFGARZQONIXEE-UHFFFAOYSA-N	2	0	463.460	4.948	1	10		JJCFRP
CC[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474314	562966683	/nfs/dbraw/zinc/96/66/83/562966683.db2.gz	JYNWGVLVJLZPQG-UHFFFAOYSA-O	2	0	472.588	4.630	1	10		JJCFRP
Oc1ccc(C[C@@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O	ZINC000026475081	563028124	/nfs/dbraw/zinc/02/81/24/563028124.db2.gz	VQJOREUOQIWUDM-ZEQRLZLVSA-N	2	0	468.638	4.783	1	10		JJCFRP
CN1CCN(C(=O)c2cccc3c(NC4CC[NH+](Cc5ccccc5)CC4)c4ccccc4[nH+]c23)CC1	ZINC000028572110	563071205	/nfs/dbraw/zinc/07/12/05/563071205.db2.gz	DEBBESMZTBVTSU-UHFFFAOYSA-N	2	0	493.655	4.852	1	10		JJCFRP
C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474321	562966760	/nfs/dbraw/zinc/96/67/60/562966760.db2.gz	ZPWOHPSCGWSIDN-UHFFFAOYSA-O	2	0	475.016	4.754	1	10		JJCFRP