smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1ccc(O)c(O)c1	ZINC000104279774	206000179	/nfs/dbraw/zinc/00/01/79/206000179.db2.gz	XNSYTEQVOICYPE-HNNXBMFYSA-N	1	0	357.370	0.624	40	10		FCCBRO
C[NH+]1CCN(c2ccc(CNC(=O)c3nc4ncccn4n3)cc2)CC1	ZINC000036618790	487801249	/nfs/dbraw/zinc/80/12/49/487801249.db2.gz	UYFPKEFAGFCTQB-UHFFFAOYSA-N	1	0	351.414	0.806	40	10		FCCBRO
OC[C@@H]1O[C@H](O)[C@@H](Nc2c3ccccc3[nH+]c3ccccc32)[C@@H](O)[C@@H]1O	ZINC000005685484	206197441	/nfs/dbraw/zinc/19/74/41/206197441.db2.gz	FQKYLFKYEXZAGH-NLNMYJFZSA-N	1	0	356.378	0.600	40	10		FCCBRO
CC1(C)CN(S(C)(=O)=O)C[C@@H]2C[N@H+](Cc3ccccc3O)CCN21	ZINC000253394170	488519818	/nfs/dbraw/zinc/51/98/18/488519818.db2.gz	APDNLDSBRZZKAQ-HNNXBMFYSA-N	1	0	353.488	0.932	40	10	biogenic,in-vitro	FCCBRO
COCCN1[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2OCCS1(=O)=O	ZINC001534645875	1267266557	/nfs/dbraw/zinc/26/65/57/1267266557.db2.gz	OSNJNGHKYKEYKQ-ZBFHGGJFSA-N	1	0	356.444	0.253	40	10		FCCBRO
OC[C@@H]1O[C@H](O)[C@@H](Nc2c3ccccc3[nH+]c3ccccc32)[C@H](O)[C@@H]1O	ZINC000005685483	206196888	/nfs/dbraw/zinc/19/68/88/206196888.db2.gz	FQKYLFKYEXZAGH-UJCHZGTJSA-N	1	0	356.378	0.600	40	10		FCCBRO
Cc1cc(C(=O)C[N+]#N)c(CN2C(=O)c3ccccc3C2=O)c(=O)n1C	ZINC000005086073	207079922	/nfs/dbraw/zinc/07/99/22/207079922.db2.gz	NQXRDPRXAIFJNL-UHFFFAOYSA-N	1	0	350.334	0.973	40	10		FCCBRO
OC[C@@H]1O[C@@H](O)[C@H](Nc2c3ccccc3[nH+]c3ccccc32)[C@H](O)[C@@H]1O	ZINC000105689373	209268438	/nfs/dbraw/zinc/26/84/38/209268438.db2.gz	FQKYLFKYEXZAGH-SXXASDTRSA-N	1	0	356.378	0.600	40	10		FCCBRO
COc1ccc(N2CCC(O)(C[N@@H+]3CCO[C@](C)(C(N)=O)C3)CC2)cc1	ZINC000585283354	491721227	/nfs/dbraw/zinc/72/12/27/491721227.db2.gz	NQCMUUAVQBUSKQ-SFHVURJKSA-N	1	0	363.458	0.603	40	10		FCCBRO
OC[C@H]1O[C@@H](O)[C@H](Nc2c3ccccc3[nH+]c3ccccc32)[C@H](O)[C@@H]1O	ZINC000105689376	222373784	/nfs/dbraw/zinc/37/37/84/222373784.db2.gz	FQKYLFKYEXZAGH-RXABAKJHSA-N	1	0	356.378	0.600	40	10		FCCBRO
Nc1ccc(NCC[NH2+]CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000039471307	487809713	/nfs/dbraw/zinc/80/97/13/487809713.db2.gz	NBSLQRRHRCDIHJ-UHFFFAOYSA-N	1	0	357.366	0.449	40	10	in-vitro	FCCBRO
CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)N(c2ccccc2)C1=S	ZINC000101362378	1245302013	/nfs/dbraw/zinc/30/20/13/1245302013.db2.gz	JIBUADODHWWVGY-SQFISAMPSA-N	1	0	373.482	0.155	40	10		FCCBRO
CC(=O)N1CCCN(C[C@@H]2OC[C@H]([NH2+]Cc3ccccc3O)[C@H]2O)CC1	ZINC000514288418	490768472	/nfs/dbraw/zinc/76/84/72/490768472.db2.gz	DOMNJAYCCSHOQJ-YTQUADARSA-N	1	0	363.458	0.164	40	10	biogenic,in-vitro	FCCBRO
OC[C@H]1O[C@H](O)[C@H](Nc2c3ccccc3[nH+]c3ccccc32)[C@H](O)[C@@H]1O	ZINC000105689379	222373744	/nfs/dbraw/zinc/37/37/44/222373744.db2.gz	FQKYLFKYEXZAGH-DBDQLMEASA-N	1	0	356.378	0.600	40	10		FCCBRO
CCCCN1C(=O)C(=CNCCC[NH+]2CCOCC2)C(=O)NC1=S	ZINC000102484279	1245302156	/nfs/dbraw/zinc/30/21/56/1245302156.db2.gz	QOFYADVGKNHHPB-SEYXRHQNSA-N	1	0	354.476	0.637	40	10		FCCBRO
COc1ccc(N2CCC(O)(C[N@@H+]3CCO[C@@](C)(C(N)=O)C3)CC2)cc1	ZINC000585283348	491721398	/nfs/dbraw/zinc/72/13/98/491721398.db2.gz	NQCMUUAVQBUSKQ-GOSISDBHSA-N	1	0	363.458	0.603	40	10		FCCBRO