smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2[nH+]c2c(Cl)cc(Cl)cc12	ZINC000004886746	556017579	/nfs/dbraw/zinc/01/75/79/556017579.db2.gz	BFQDUUJEGDCHOS-AWEZNQCLSA-N	2	2	438.830	7.271	40	10		IKCBLP
CCCCCC[NH2+]Cc1cc(C[NH2+]CCCCCC)c(O)c(C[NH2+]CCCCCC)c1	ZINC000031962037	556528182	/nfs/dbraw/zinc/52/81/82/556528182.db2.gz	WDYKRINQZYNKCY-UHFFFAOYSA-N	3	2	433.725	6.402	40	10		IKCBLP
Nc1ccc(/N=N\c2ccc3cc4ccc(/N=N\c5ccc(N)[nH+]c5N)cc4nc3c2)c(N)[nH+]1	ZINC000104230278	557322785	/nfs/dbraw/zinc/32/27/85/557322785.db2.gz	RKDJPLAXPITDOD-WANSBIPISA-N	2	2	449.482	5.338	40	10		IKCBLP
CCCCC[NH+](CCCCC)CCCCCCCCC[N@@H+]1CCCc2cc(OC)ccc21	ZINC000004366777	132271779	/nfs/dbraw/zinc/27/17/79/132271779.db2.gz	RBWTTYQDIGYHDE-UHFFFAOYSA-N	2	2	444.748	7.861	40	10		IKCBLP
CCCCC[NH+](CCCCC)CCCCCCCCC[N@H+]1CCCc2cc(OC)ccc21	ZINC000004366777	132271780	/nfs/dbraw/zinc/27/17/80/132271780.db2.gz	RBWTTYQDIGYHDE-UHFFFAOYSA-N	2	2	444.748	7.861	40	10		IKCBLP
Oc1c(C[NH2+]C2CCCCC2)cc(C[NH2+]C2CCCCC2)cc1C[NH2+]C1CCCCC1	ZINC000004706018	556006946	/nfs/dbraw/zinc/00/69/46/556006946.db2.gz	NDPKKBMWWCJNAR-UHFFFAOYSA-N	3	2	427.677	5.659	40	10		IKCBLP
CC[NH+](CC)Cc1cc(Nc2c3ccc([N+](=O)[O-])cc3[nH+]c3ccc(OC)cc32)ccc1O	ZINC000005011557	556028321	/nfs/dbraw/zinc/02/83/21/556028321.db2.gz	WEISLJCDBVPIPS-UHFFFAOYSA-N	2	2	446.507	5.596	40	10		IKCBLP
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2[nH+]c2c(Cl)cc(Cl)cc12	ZINC000017003884	556652764	/nfs/dbraw/zinc/65/27/64/556652764.db2.gz	BFQDUUJEGDCHOS-CQSZACIVSA-N	2	2	438.830	7.271	40	10		IKCBLP
Cc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)c(C)n1-c1ccc(C)cn1	ZINC000019216204	556711845	/nfs/dbraw/zinc/71/18/45/556711845.db2.gz	MCZJVDZHFKBCDE-UHFFFAOYSA-N	2	2	431.559	5.226	40	10		IKCBLP
Cc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)c(C)n1-c1ccc(C)cn1	ZINC000019216204	556711848	/nfs/dbraw/zinc/71/18/48/556711848.db2.gz	MCZJVDZHFKBCDE-UHFFFAOYSA-N	2	2	431.559	5.226	40	10		IKCBLP
Cc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)c(C)n1-c1ncccc1C	ZINC000019237887	556722810	/nfs/dbraw/zinc/72/28/10/556722810.db2.gz	RLFVUZRYLKTQIL-UHFFFAOYSA-N	2	2	431.559	5.226	40	10		IKCBLP
Cc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)c(C)n1-c1ncccc1C	ZINC000019237887	556722815	/nfs/dbraw/zinc/72/28/15/556722815.db2.gz	RLFVUZRYLKTQIL-UHFFFAOYSA-N	2	2	431.559	5.226	40	10		IKCBLP
Nc1ccc(/N=N/c2ccc3cc4ccc(/N=N\c5ccc(N)[nH+]c5N)cc4nc3c2)c(N)[nH+]1	ZINC000104230281	557322792	/nfs/dbraw/zinc/32/27/92/557322792.db2.gz	RKDJPLAXPITDOD-IUQQBYGBSA-N	2	2	449.482	5.338	40	10		IKCBLP
Nc1ccc(/N=N/c2ccc3cc4ccc(/N=N/c5ccc(N)[nH+]c5N)cc4nc3c2)c(N)[nH+]1	ZINC000018251933	556688473	/nfs/dbraw/zinc/68/84/73/556688473.db2.gz	RKDJPLAXPITDOD-FMWAKIAMSA-N	2	2	449.482	5.338	40	10		IKCBLP
COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4O)C=C3C)[nH+]c2c1	ZINC000072320961	556709842	/nfs/dbraw/zinc/70/98/42/556709842.db2.gz	NEKFVUNFQVQGOG-FUDKSRODSA-N	2	2	433.596	5.464	40	10	biogenic,in-vitro	IKCBLP