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+]1CCN(c2ccc(C[NH2+]Cc3ccco3)cc2F)CC1	ZINC000078604289	191892972	/nfs/dbraw/zinc/89/29/72/191892972.db2.gz	ZFUNAGOLLJYCJS-UHFFFAOYSA-N	2	2	317.408	2.850	50	10		DFCALP
CN(C)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000069710558	398581475	/nfs/dbraw/zinc/58/14/75/398581475.db2.gz	HTRRRXDZARGWFH-UHFFFAOYSA-N	2	2	324.472	2.902	50	10		DFCALP
Cc1ccc(O)c(C[NH2+]CC[NH2+]Cc2cc(C)ccc2O)c1	ZINC000022581996	425797005	/nfs/dbraw/zinc/79/70/05/425797005.db2.gz	FPLZZQVRIKYDDZ-UHFFFAOYSA-N	2	2	300.402	2.594	50	10		DFCALP
C[NH+](C)Cc1cc(-c2[nH+]ccn2CCc2cccnc2)ccc1O	ZINC000071721498	191014533	/nfs/dbraw/zinc/01/45/33/191014533.db2.gz	GVPWIWHJMNUVED-UHFFFAOYSA-N	2	2	322.412	2.955	50	10		DFCALP
CCC[NH+]1CCC([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000032580919	425839130	/nfs/dbraw/zinc/83/91/30/425839130.db2.gz	BPSYPPQXAAYREU-UHFFFAOYSA-N	2	2	317.477	2.692	50	10		DFCALP
CCOc1cccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c1O	ZINC000020506630	182225990	/nfs/dbraw/zinc/22/59/90/182225990.db2.gz	TWEQYXOLTKMQBK-KRWDZBQOSA-N	2	2	312.413	2.768	50	10		DFCALP
c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)[nH+]c1	ZINC000043288549	425854479	/nfs/dbraw/zinc/85/44/79/425854479.db2.gz	REEKVOXFUVYHLD-UHFFFAOYSA-N	2	2	309.413	2.775	50	10		DFCALP
CCOc1cccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c1O	ZINC000020506631	182225551	/nfs/dbraw/zinc/22/55/51/182225551.db2.gz	TWEQYXOLTKMQBK-QGZVFWFLSA-N	2	2	312.413	2.768	50	10		DFCALP
COc1ccc(C[NH2+]C2CCCCC2)cc1C[NH+]1CCOCC1	ZINC000013735982	425761162	/nfs/dbraw/zinc/76/11/62/425761162.db2.gz	SGNUTGVSICSCHI-UHFFFAOYSA-N	2	2	318.461	2.950	50	10		DFCALP
Cc1[nH+]c[nH]c1CSCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1	ZINC000067842360	425914095	/nfs/dbraw/zinc/91/40/95/425914095.db2.gz	WVQCYXHFEWUFNF-UHFFFAOYSA-N	3	2	322.522	2.853	50	10		DFCALP
COc1ccc(O)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1	ZINC000000243762	425548503	/nfs/dbraw/zinc/54/85/03/425548503.db2.gz	WXXROAURYLOVGP-UHFFFAOYSA-N	2	2	304.434	2.851	50	10		DFCALP