smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+](CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@H](C)O	ZINC000004366922	557547573	/nfs/dbraw/zinc/54/75/73/557547573.db2.gz	PPDQLADBSHGSQI-AWEZNQCLSA-N	1	1	404.963	4.491	40	5		HIBBMO
CC[NH+]1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229361	559170083	/nfs/dbraw/zinc/17/00/83/559170083.db2.gz	FUZIILGAVUHARP-UHFFFAOYSA-N	1	1	423.300	4.296	40	5		HIBBMO
O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225990231	568784625	/nfs/dbraw/zinc/78/46/25/568784625.db2.gz	LDOMHZKHHBXNCH-UHFFFAOYSA-N	1	1	410.861	4.056	40	5		HIBBMO
CC1=C(C(=O)Nc2nccs2)[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)[NH2+]1	ZINC000103671464	560843848	/nfs/dbraw/zinc/84/38/48/560843848.db2.gz	CHKGMSKIYLGLKF-QZTJIDSGSA-N	1	1	407.455	4.243	40	5		HIBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000038856312	571087900	/nfs/dbraw/zinc/08/79/00/571087900.db2.gz	MWUGRMHGEXPNLQ-OAHLLOKOSA-N	1	1	403.866	4.108	40	5		HIBBMO
CC[N@@H+](CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@@H](C)O	ZINC000005840869	557677169	/nfs/dbraw/zinc/67/71/69/557677169.db2.gz	PPDQLADBSHGSQI-CQSZACIVSA-N	1	1	404.963	4.491	40	5		HIBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225579724	568774533	/nfs/dbraw/zinc/77/45/33/568774533.db2.gz	ZSEWABNBFTYTPO-UHFFFAOYSA-N	1	1	421.856	4.247	40	5		HIBBMO
CC(C)c1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)c([N+](=O)[O-])cc2Cl)cc1	ZINC000072229154	559169854	/nfs/dbraw/zinc/16/98/54/559169854.db2.gz	CJXONHYRMKRTDW-UHFFFAOYSA-N	1	1	416.909	4.376	40	5		HIBBMO
CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1	ZINC000016681530	569070254	/nfs/dbraw/zinc/07/02/54/569070254.db2.gz	SZBWQDSKYKSGLR-UHFFFAOYSA-N	1	1	423.300	4.296	40	5		HIBBMO
CCc1ccc(C(=O)Nc2cc(N3CC[NH+](CC)CC3)c([N+](=O)[O-])cc2Cl)cc1	ZINC000072229158	559170208	/nfs/dbraw/zinc/17/02/08/559170208.db2.gz	WOYSCUBWKXVKPL-UHFFFAOYSA-N	1	1	416.909	4.205	40	5		HIBBMO
CC1=C(C(=O)Nc2nccs2)[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)[NH2+]1	ZINC000103671472	560843873	/nfs/dbraw/zinc/84/38/73/560843873.db2.gz	CHKGMSKIYLGLKF-ZWKOTPCHSA-N	1	1	407.455	4.243	40	5		HIBBMO
CC[NH+](CC)C[C@H]1CC2(CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)O1	ZINC000306138657	568901451	/nfs/dbraw/zinc/90/14/51/568901451.db2.gz	SDTDAQUDYJYNFD-QGZVFWFLSA-N	1	1	415.456	4.079	40	5		HIBBMO
CC[NH+]1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229296	559170092	/nfs/dbraw/zinc/17/00/92/559170092.db2.gz	IMYUUJLETVSMTI-UHFFFAOYSA-N	1	1	423.300	4.296	40	5		HIBBMO
CC1=C(C(=O)Nc2nccs2)[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)[NH2+]1	ZINC000103671474	560843877	/nfs/dbraw/zinc/84/38/77/560843877.db2.gz	CHKGMSKIYLGLKF-ROUUACIJSA-N	1	1	407.455	4.243	40	5		HIBBMO
CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000006241845	132309767	/nfs/dbraw/zinc/30/97/67/132309767.db2.gz	PWCIZKPENBFLKS-RMKNXTFCSA-N	1	1	414.893	4.042	40	5		HIBBMO
CC1=C(C(=O)Nc2nccs2)[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)[NH2+]1	ZINC000103671467	560843869	/nfs/dbraw/zinc/84/38/69/560843869.db2.gz	CHKGMSKIYLGLKF-MSOLQXFVSA-N	1	1	407.455	4.243	40	5		HIBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000038856315	571088032	/nfs/dbraw/zinc/08/80/32/571088032.db2.gz	MWUGRMHGEXPNLQ-HNNXBMFYSA-N	1	1	403.866	4.108	40	5		HIBBMO
O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225990247	568784606	/nfs/dbraw/zinc/78/46/06/568784606.db2.gz	KQFGDGDLFWDPBW-UHFFFAOYSA-N	1	1	424.888	4.446	40	5		HIBBMO
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000016681532	569070329	/nfs/dbraw/zinc/07/03/29/569070329.db2.gz	SGHDKBMLKCIPGQ-UHFFFAOYSA-N	1	1	423.300	4.296	40	5		HIBBMO
CC[NH+]1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229230	559170002	/nfs/dbraw/zinc/17/00/02/559170002.db2.gz	RXLYMURZWVJBPR-UHFFFAOYSA-N	1	1	423.300	4.296	40	5		HIBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000038853936	571087951	/nfs/dbraw/zinc/08/79/51/571087951.db2.gz	CDUNFJANNUVBSC-UHFFFAOYSA-N	1	1	418.291	4.208	40	5		HIBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	ZINC000039755253	571134357	/nfs/dbraw/zinc/13/43/57/571134357.db2.gz	CLJRUJCZWJGANF-UHFFFAOYSA-N	1	1	421.856	4.247	40	5		HIBBMO