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-])c1c(Cl)cc(Cl)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164995595	722198409	/nfs/dbraw/zinc/19/84/09/722198409.db2.gz	VZABMJDCJMURHC-IBGZPJMESA-N	0	1	425.291	4.681	20	5		IJBDMN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c1	ZINC001165015629	721767427	/nfs/dbraw/zinc/76/74/27/721767427.db2.gz	SVWCKCBKKHYXGG-UHFFFAOYSA-N	0	1	445.813	4.700	20	5		IJBDMN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2c1	ZINC001164994641	722196856	/nfs/dbraw/zinc/19/68/56/722196856.db2.gz	OQHSSDZDMVWZDU-JOCHJYFZSA-N	0	1	441.894	4.575	20	5		IJBDMN
Cc1nc(CN2CCCC23CCN(c2cc(C)c4cc([N+](=O)[O-])ccc4n2)CC3)cs1	ZINC001164694026	719806086	/nfs/dbraw/zinc/80/60/86/719806086.db2.gz	WWFVPEDRYXRFBO-UHFFFAOYSA-N	0	1	437.569	4.851	20	5		IJBDMN
Cc1ccc(CN2CCOC3(CCN(c4ccc5ccc6cccnc6c5n4)CC3)C2)cc1	ZINC001164939305	721923618	/nfs/dbraw/zinc/92/36/18/721923618.db2.gz	HOEHOXQPJAOZQD-UHFFFAOYSA-N	0	1	438.575	4.963	20	5		IJBDMN
COc1cccc(OC)c1CN1CCC(N(C)c2ccc3ccc4cccnc4c3n2)CC1	ZINC001165020506	721839663	/nfs/dbraw/zinc/83/96/63/721839663.db2.gz	JXHAFIUBXVIYCH-UHFFFAOYSA-N	0	1	442.563	4.901	20	5		IJBDMN
Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC3)cs1	ZINC001164692790	719808037	/nfs/dbraw/zinc/80/80/37/719808037.db2.gz	MPILGHQQAHFNOB-UHFFFAOYSA-N	0	1	442.372	4.697	20	5		IJBDMN
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164994265	722196320	/nfs/dbraw/zinc/19/63/20/722196320.db2.gz	MLXPMSFKVXHNAS-IBGZPJMESA-N	0	1	425.291	4.681	20	5		IJBDMN
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164994270	722196081	/nfs/dbraw/zinc/19/60/81/722196081.db2.gz	MLXPMSFKVXHNAS-LJQANCHMSA-N	0	1	425.291	4.681	20	5		IJBDMN
O=[N+]([O-])c1cc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)cnc1Cl	ZINC001165016536	721766879	/nfs/dbraw/zinc/76/68/79/721766879.db2.gz	XJCNZGFTAIGBSR-UHFFFAOYSA-N	0	1	445.813	4.700	20	5		IJBDMN
Cc1nc(CN2CCCC23CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC3)cs1	ZINC001164692581	719806566	/nfs/dbraw/zinc/80/65/66/719806566.db2.gz	JWQFESDARMDWBL-UHFFFAOYSA-N	0	1	442.372	4.697	20	5		IJBDMN
O=[N+]([O-])c1ccc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)nc1Cl	ZINC001165015423	721766522	/nfs/dbraw/zinc/76/65/22/721766522.db2.gz	QEDULAYMMDVDRZ-UHFFFAOYSA-N	0	1	445.813	4.700	20	5		IJBDMN
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164995599	722198168	/nfs/dbraw/zinc/19/81/68/722198168.db2.gz	VZABMJDCJMURHC-LJQANCHMSA-N	0	1	425.291	4.681	20	5		IJBDMN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2c1	ZINC001164994645	722196848	/nfs/dbraw/zinc/19/68/48/722196848.db2.gz	OQHSSDZDMVWZDU-QFIPXVFZSA-N	0	1	441.894	4.575	20	5		IJBDMN