smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2CN2CCC[C@H](O)[C@@H]2C1	ZINC000068267599	205272220	/nfs/dbraw/zinc/27/22/20/205272220.db2.gz	ZLNAXGITCVOBLN-VXKWHMMOSA-N	0	1	393.483	3.900	1	5		GHBFMN
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000026502476	204844803	/nfs/dbraw/zinc/84/48/03/204844803.db2.gz	RTCARKQZKUEVLN-UHFFFAOYSA-N	0	1	382.399	3.530	1	5		GHBFMN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CCN1C	ZINC000095589849	136182311	/nfs/dbraw/zinc/18/23/11/136182311.db2.gz	FPXFGQWJDCLQGG-ZDUSSCGKSA-N	0	1	388.855	3.641	1	5		GHBFMN
CCn1c2cc[nH+]cc2c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000064573674	222075405	/nfs/dbraw/zinc/07/54/05/222075405.db2.gz	YIKKGNOXWKDTFD-UHFFFAOYSA-N	0	1	396.428	3.918	1	5		GHBFMN
CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2F)CC1	ZINC000103245403	136191069	/nfs/dbraw/zinc/19/10/69/136191069.db2.gz	YDLFNPHEWIPXMS-BJMVGYQFSA-N	0	1	398.438	3.528	1	5		GHBFMN
CN1CCN(c2cnc3cccc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	ZINC000071316619	222181043	/nfs/dbraw/zinc/18/10/43/222181043.db2.gz	WWJRLPXUJXVCEF-UHFFFAOYSA-N	0	1	377.448	3.507	1	5		GHBFMN
CCN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1	ZINC000095592834	535747535	/nfs/dbraw/zinc/74/75/35/535747535.db2.gz	OTWKATJZXRXYER-UHFFFAOYSA-N	0	1	388.855	3.642	1	5		GHBFMN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2CN2C[C@@H](O)CC[C@@H]2C1	ZINC000095555754	208232160	/nfs/dbraw/zinc/23/21/60/208232160.db2.gz	RHTBCPPXWPNYSU-CABCVRRESA-N	0	1	393.483	3.900	1	5		GHBFMN
COc1ccc2c(C[N@H+]3CCC[C@H]3C(=O)[O-])cc3cc4c(cc3c2c1)OCO4	ZINC000028706133	207347292	/nfs/dbraw/zinc/34/72/92/207347292.db2.gz	ZNEVPUCBRGFKFM-IBGZPJMESA-N	0	1	379.412	3.779	1	5		GHBFMN
C=C1N=C(C)C(C(=O)OC)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C1C(=O)OC	ZINC000026184153	207310829	/nfs/dbraw/zinc/31/08/29/207310829.db2.gz	ZWRCMVHKUKUTSC-WSTOHFRZSA-N	0	1	380.784	3.669	1	5		GHBFMN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CCN1C	ZINC000095589848	136182330	/nfs/dbraw/zinc/18/23/30/136182330.db2.gz	FPXFGQWJDCLQGG-CYBMUJFWSA-N	0	1	388.855	3.641	1	5		GHBFMN
Cn1c2nc3ccccc3c-2c(N2CCN(CCO)CC2)c2cc(Cl)ccc21	ZINC000101683560	136189644	/nfs/dbraw/zinc/18/96/44/136189644.db2.gz	BCSRSEZIIMZZRG-UHFFFAOYSA-N	0	1	394.906	3.599	1	5		GHBFMN
C=C1N=C(C)C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])s2)C1C(=O)OCC	ZINC000096900470	211348668	/nfs/dbraw/zinc/34/86/68/211348668.db2.gz	ALGPNPPAHVDLJF-NWCRWOLESA-N	0	1	380.422	3.858	1	5		GHBFMN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2CN2CC[C@H](O)C[C@@H]2C1	ZINC000068267590	211032872	/nfs/dbraw/zinc/03/28/72/211032872.db2.gz	CNGIXIUEFVKHFX-CABCVRRESA-N	0	1	393.483	3.900	1	5		GHBFMN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2CN2CCC[C@@H](O)[C@@H]2C1	ZINC000095554448	211277642	/nfs/dbraw/zinc/27/76/42/211277642.db2.gz	ZLNAXGITCVOBLN-FCHUYYIVSA-N	0	1	393.483	3.900	1	5		GHBFMN
C=C1N=C(C)C(C(=O)OC)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C1C(=O)OC	ZINC000100025590	211382749	/nfs/dbraw/zinc/38/27/49/211382749.db2.gz	ZWRCMVHKUKUTSC-NWCRWOLESA-N	0	1	380.784	3.669	1	5		GHBFMN
CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1	ZINC000013726465	212150251	/nfs/dbraw/zinc/15/02/51/212150251.db2.gz	GWLYGKHENDIOMW-UHFFFAOYSA-N	0	1	380.426	3.503	1	5		GHBFMN
CN(C)Cc1ccc(CSCCNc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])o1	ZINC000013726469	212149150	/nfs/dbraw/zinc/14/91/50/212149150.db2.gz	LAFTTYMJFZRMQP-UHFFFAOYSA-N	0	1	398.416	3.642	1	5		GHBFMN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2CN2CC[C@@H](O)C[C@@H]2C1	ZINC000068267589	222171065	/nfs/dbraw/zinc/17/10/65/222171065.db2.gz	CNGIXIUEFVKHFX-HUUCEWRRSA-N	0	1	393.483	3.900	1	5		GHBFMN
C=C1N=C(C)C(C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])s2)C1C(=O)OCC	ZINC000084549503	222315694	/nfs/dbraw/zinc/31/56/94/222315694.db2.gz	ALGPNPPAHVDLJF-WSTOHFRZSA-N	0	1	380.422	3.858	1	5		GHBFMN