smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225584969	557747455	/nfs/dbraw/zinc/74/74/55/557747455.db2.gz	PBYORVYVDINVGH-UHFFFAOYSA-N	1	1	426.275	4.891	40	5		IJBBMO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	ZINC000039757152	569481898	/nfs/dbraw/zinc/48/18/98/569481898.db2.gz	BKLGFAZOVCUSDY-UHFFFAOYSA-N	1	1	426.275	4.891	40	5		IJBBMO
CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229156	557343292	/nfs/dbraw/zinc/34/32/92/557343292.db2.gz	OXFGAIRVIXYGPQ-UHFFFAOYSA-N	1	1	444.963	4.940	40	5		IJBBMO
C[NH+]1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229374	557343579	/nfs/dbraw/zinc/34/35/79/557343579.db2.gz	XJEMEAXNSAXRRS-UHFFFAOYSA-N	1	1	443.718	4.559	40	5		IJBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	ZINC000030758393	569447693	/nfs/dbraw/zinc/44/76/93/569447693.db2.gz	GTORDHWHBIKLCH-KOEQRZSOSA-N	1	1	438.487	4.946	40	5		IJBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1	ZINC000038856358	569469290	/nfs/dbraw/zinc/46/92/90/569469290.db2.gz	FEOFENUXTBPAJT-UHFFFAOYSA-N	1	1	438.311	4.761	40	5		IJBBMO
O=C(N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225991525	569409935	/nfs/dbraw/zinc/40/99/35/569409935.db2.gz	JHXSGMSDKIJTRX-UHFFFAOYSA-N	1	1	441.531	4.560	40	5		IJBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000020106396	569334003	/nfs/dbraw/zinc/33/40/03/569334003.db2.gz	GLAHESLEJIWZSG-JJIBRWJFSA-N	1	1	438.487	4.946	40	5		IJBBMO
Cc1c(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-]	ZINC000038860192	569469332	/nfs/dbraw/zinc/46/93/32/569469332.db2.gz	DNHJPITXQHJHPS-UHFFFAOYSA-N	1	1	432.318	4.516	40	5		IJBBMO
O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2)c1	ZINC000033580598	569244670	/nfs/dbraw/zinc/24/46/70/569244670.db2.gz	VVIAAIPTVUTIEA-UHFFFAOYSA-N	1	1	447.560	4.667	40	5		IJBBMO
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1	ZINC000008832652	569291031	/nfs/dbraw/zinc/29/10/31/569291031.db2.gz	VQIRZYSBUUXQLB-UHFFFAOYSA-N	1	1	440.887	4.512	40	5		IJBBMO
CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000016681518	568937638	/nfs/dbraw/zinc/93/76/38/568937638.db2.gz	REBLOELGFCTPQW-XBXARRHUSA-N	1	1	449.338	4.695	40	5		IJBBMO
C[NH+]1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229371	557343326	/nfs/dbraw/zinc/34/33/26/557343326.db2.gz	YPBKKMFDTYKXMH-UHFFFAOYSA-N	1	1	443.718	4.559	40	5		IJBBMO
C[NH+]1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229375	557343545	/nfs/dbraw/zinc/34/35/45/557343545.db2.gz	GDCYIBRPNSLYSQ-UHFFFAOYSA-N	1	1	443.718	4.559	40	5		IJBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000038856360	569469297	/nfs/dbraw/zinc/46/92/97/569469297.db2.gz	KRUAHLSBJBWYDC-UHFFFAOYSA-N	1	1	438.311	4.761	40	5		IJBBMO
C[NH+]1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229155	557343299	/nfs/dbraw/zinc/34/32/99/557343299.db2.gz	STCWCXREVUYGLY-UHFFFAOYSA-N	1	1	430.936	4.550	40	5		IJBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1	ZINC000038856362	569469292	/nfs/dbraw/zinc/46/92/92/569469292.db2.gz	KLSXTAGJGFBWIE-UHFFFAOYSA-N	1	1	438.311	4.761	40	5		IJBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000038859717	569469304	/nfs/dbraw/zinc/46/93/04/569469304.db2.gz	SFFJWXFVGYVVCF-UHFFFAOYSA-N	1	1	432.318	4.516	40	5		IJBBMO
CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229157	557343271	/nfs/dbraw/zinc/34/32/71/557343271.db2.gz	XBPIAMLGPGTTHY-UHFFFAOYSA-N	1	1	430.936	4.766	40	5		IJBBMO
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1	ZINC000014273655	557433304	/nfs/dbraw/zinc/43/33/04/557433304.db2.gz	YUBGIDPEXDRMAW-UHFFFAOYSA-N	1	1	440.887	4.512	40	5		IJBBMO