smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(NCCNC/C=C/c2ccccc2)c(Cl)c1	ZINC000016450933	564087006	/nfs/dbraw/zinc/08/70/06/564087006.db2.gz	FKCOYYWEIJNFCP-QPJJXVBHSA-N	0	3	331.803	3.963	40	5		EHBBHN
COc1cc(C)c2sc3ccccc3c(=O)c2c1NCCN(C)C	ZINC000005390093	563530756	/nfs/dbraw/zinc/53/07/56/563530756.db2.gz	NNLKMQJWJGRZDP-UHFFFAOYSA-N	0	3	342.464	3.705	40	5		EHBBHN
CCN(CC)Cc1cccc(C)c1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001688823	564082281	/nfs/dbraw/zinc/08/22/81/564082281.db2.gz	IIRPXIICUJHJIB-UHFFFAOYSA-N	0	3	342.395	3.964	40	5		EHBBHN
C[C@]1(O)C[C@H](c2ccccc2)C([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)O1	ZINC000016248866	564081152	/nfs/dbraw/zinc/08/11/52/564081152.db2.gz	BPUNLHLUXPSBJD-ZJPYXAASSA-N	0	3	347.798	3.939	40	5		EHBBHN
CN(C)Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000001716138	564082868	/nfs/dbraw/zinc/08/28/68/564082868.db2.gz	NRHUULNDYKPZJX-UHFFFAOYSA-N	0	3	348.786	3.667	40	5		EHBBHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCCC2)cc1	ZINC000010335485	564127751	/nfs/dbraw/zinc/12/77/51/564127751.db2.gz	PAPSQQNVNVLTOC-UHFFFAOYSA-N	0	3	339.395	3.751	40	5		EHBBHN
CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])CC1	ZINC000255187350	201187529	/nfs/dbraw/zinc/18/75/29/201187529.db2.gz	CXNACXCZPIMRBG-SHTZXODSSA-N	0	3	349.431	3.520	40	5		EHBBHN
CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000008324091	564164341	/nfs/dbraw/zinc/16/43/41/564164341.db2.gz	SOQZEHUKJKKKNK-UHFFFAOYSA-N	0	3	349.818	3.849	40	5		EHBBHN
CC([C@@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	ZINC000001667281	564082145	/nfs/dbraw/zinc/08/21/45/564082145.db2.gz	JSLKOOHYAWTKNJ-MLGOLLRUSA-N	0	3	328.324	3.617	40	5		EHBBHN
CCN(CC)CCNc1ccc(N)c2sc3ccccc3c(=O)c12	ZINC000005386441	563530611	/nfs/dbraw/zinc/53/06/11/563530611.db2.gz	PQCVMZLKMPHEJJ-UHFFFAOYSA-N	0	3	341.480	3.751	40	5		EHBBHN
CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])CC1	ZINC000100809692	219106994	/nfs/dbraw/zinc/10/69/94/219106994.db2.gz	CXNACXCZPIMRBG-GASCZTMLSA-N	0	3	349.431	3.520	40	5		EHBBHN
CCOc1ccc(Cl)cc1CNCCNc1ccc([N+](=O)[O-])cc1	ZINC000006870517	564099831	/nfs/dbraw/zinc/09/98/31/564099831.db2.gz	JRDHWEAQFMTOBA-UHFFFAOYSA-N	0	3	349.818	3.849	40	5		EHBBHN
Cc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000008551024	564165665	/nfs/dbraw/zinc/16/56/65/564165665.db2.gz	FRHXFBSXFCQYNV-UHFFFAOYSA-N	0	3	325.821	3.820	40	5		EHBBHN
CCN(CC)Cc1c(C)cccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001688822	564082289	/nfs/dbraw/zinc/08/22/89/564082289.db2.gz	UENIKQOBLVPUPA-UHFFFAOYSA-N	0	3	342.395	3.964	40	5		EHBBHN
Cc1c(NC(=O)c2ccc(CN3CCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000010434087	564127802	/nfs/dbraw/zinc/12/78/02/564127802.db2.gz	OGEZJOBIQKNFQM-UHFFFAOYSA-N	0	3	339.395	3.751	40	5		EHBBHN
CC([C@@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	ZINC000001667280	564082134	/nfs/dbraw/zinc/08/21/34/564082134.db2.gz	JSLKOOHYAWTKNJ-BLLLJJGKSA-N	0	3	328.324	3.617	40	5		EHBBHN
CC([C@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	ZINC000001667282	564082120	/nfs/dbraw/zinc/08/21/20/564082120.db2.gz	JSLKOOHYAWTKNJ-LRDDRELGSA-N	0	3	328.324	3.617	40	5		EHBBHN
CC([C@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	ZINC000001667283	564082137	/nfs/dbraw/zinc/08/21/37/564082137.db2.gz	JSLKOOHYAWTKNJ-WBMJQRKESA-N	0	3	328.324	3.617	40	5		EHBBHN
CCOc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000008325222	564164361	/nfs/dbraw/zinc/16/43/61/564164361.db2.gz	DJZGLOXPJHFORX-UHFFFAOYSA-N	0	3	349.818	3.849	40	5		EHBBHN
CCN(CC)CCNc1ccc(C)c2oc3ccc(O)cc3c(=O)c12	ZINC000005460315	563533135	/nfs/dbraw/zinc/53/31/35/563533135.db2.gz	INFOLWSYXJHCTA-UHFFFAOYSA-N	0	3	340.423	3.714	40	5		EHBBHN
CN(C)[C@H]1c2cc(Br)ccc2-c2ccc([N+](=O)[O-])cc21	ZINC000004962883	210341436	/nfs/dbraw/zinc/34/14/36/210341436.db2.gz	PVLNOMABDBJNEC-HNNXBMFYSA-N	0	3	333.185	3.989	40	5		EHBBHN
O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000514997	564020038	/nfs/dbraw/zinc/02/00/38/564020038.db2.gz	QTSDVBWRRJLZBQ-UHFFFAOYSA-N	0	3	339.395	3.833	40	5		EHBBHN
CCOc1ccccc1CNCCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000008325591	564164382	/nfs/dbraw/zinc/16/43/82/564164382.db2.gz	ZEYWNJWRGLHEED-UHFFFAOYSA-N	0	3	349.818	3.849	40	5		EHBBHN
O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000005996526	564057454	/nfs/dbraw/zinc/05/74/54/564057454.db2.gz	AKHZQRMMLUKCQG-UHFFFAOYSA-N	0	3	339.395	3.833	40	5		EHBBHN
CN(C)[C@@H]1c2cc(Br)ccc2-c2ccc([N+](=O)[O-])cc21	ZINC000001697047	564082688	/nfs/dbraw/zinc/08/26/88/564082688.db2.gz	PVLNOMABDBJNEC-OAHLLOKOSA-N	0	3	333.185	3.989	40	5		EHBBHN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCCCC2)cc1	ZINC000010358369	564024000	/nfs/dbraw/zinc/02/40/00/564024000.db2.gz	IMMQVNAVKGBZIC-UHFFFAOYSA-N	0	3	339.395	3.833	40	5		EHBBHN
O=[N+]([O-])c1cc(F)ccc1NC1CCN(Cc2ccccc2)CC1	ZINC000068841971	215339642	/nfs/dbraw/zinc/33/96/42/215339642.db2.gz	MOJOTQVTZDOSNH-UHFFFAOYSA-N	0	3	329.375	3.810	40	5		EHBBHN
CCN(CC)CCNc1ccc(O)c2sc3ccccc3c(=O)c12	ZINC000005390095	563530691	/nfs/dbraw/zinc/53/06/91/563530691.db2.gz	VSUAHAFZOPRJRE-UHFFFAOYSA-N	0	3	342.464	3.874	40	5		EHBBHN