smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1O	ZINC000050245089	175260213	/nfs/dbraw/zinc/26/02/13/175260213.db2.gz	HXPUGMXGIRKPQI-JTQLQIEISA-N	2	0	236.315	1.181	50	10		BDCARP
CCN(CC)c1ccc(C[NH2+]CCC[NH3+])cc1	ZINC000019736882	384534539	/nfs/dbraw/zinc/53/45/39/384534539.db2.gz	RNMAJBQTNXDUOK-UHFFFAOYSA-N	2	0	235.375	1.971	50	10		BDCARP
C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000032919563	132335818	/nfs/dbraw/zinc/33/58/18/132335818.db2.gz	VHTHWUSPHFHGRV-UHFFFAOYSA-N	2	0	219.332	1.158	50	10		BDCARP
C[NH+](C)Cc1cc(O)c(C[NH+](C)C)cc1O	ZINC000000133303	535992461	/nfs/dbraw/zinc/99/24/61/535992461.db2.gz	QAPHUXJGSNSWPK-UHFFFAOYSA-N	2	0	224.304	1.221	50	10		BDCARP
[NH3+][C@H]1CCCN(Cc2ccccc2O)C1	ZINC000038539476	348711924	/nfs/dbraw/zinc/71/19/24/348711924.db2.gz	JXYXDWHJIBGHSV-NSHDSACASA-N	2	0	206.289	1.315	50	10		BDCARP
[NH3+]C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1	ZINC000067805779	637174266	/nfs/dbraw/zinc/17/42/66/637174266.db2.gz	BHYBWOKWLYQADC-VIFPVBQESA-N	2	0	224.279	1.312	50	10		BDCARP
[NH3+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000020266099	132330946	/nfs/dbraw/zinc/33/09/46/132330946.db2.gz	DJPHOOYDEDBMGN-UHFFFAOYSA-N	2	0	245.370	1.677	50	10		BDCARP
C[N@@H+]1CCCN(c2ccc(C[NH3+])cc2)CC1	ZINC000012370636	173016628	/nfs/dbraw/zinc/01/66/28/173016628.db2.gz	GYRJZJZERXFNLI-UHFFFAOYSA-N	2	0	219.332	1.287	50	10		BDCARP
COc1cccc(C[NH+]2CCC([NH3+])CC2)c1O	ZINC000020521485	175256566	/nfs/dbraw/zinc/25/65/66/175256566.db2.gz	XSVJCLBNUZKCGY-UHFFFAOYSA-N	2	0	236.315	1.324	50	10		BDCARP
COc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1O	ZINC000050245088	175259717	/nfs/dbraw/zinc/25/97/17/175259717.db2.gz	HXPUGMXGIRKPQI-SNVBAGLBSA-N	2	0	236.315	1.181	50	10		BDCARP
CN(C)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1	ZINC000015423798	342896000	/nfs/dbraw/zinc/89/60/00/342896000.db2.gz	CZEBDZMBUKUETA-UHFFFAOYSA-N	2	0	233.359	1.676	50	10		BDCARP
[NH3+]C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1	ZINC000067805778	637174964	/nfs/dbraw/zinc/17/49/64/637174964.db2.gz	BHYBWOKWLYQADC-SECBINFHSA-N	2	0	224.279	1.312	50	10		BDCARP
[NH3+]C1CC[NH+](Cc2ccccc2O)CC1	ZINC000020521615	181344467	/nfs/dbraw/zinc/34/44/67/181344467.db2.gz	VUMIPUSPWRQJPJ-UHFFFAOYSA-N	2	0	206.289	1.315	50	10		BDCARP
C[C@@H]([NH3+])c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000004343011	132316536	/nfs/dbraw/zinc/31/65/36/132316536.db2.gz	UAQCYCNMBPCKBZ-LLVKDONJSA-N	2	0	219.332	1.458	50	10		BDCARP
C[C@H]([NH3+])c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000002538759	132315221	/nfs/dbraw/zinc/31/52/21/132315221.db2.gz	UAQCYCNMBPCKBZ-NSHDSACASA-N	2	0	219.332	1.458	50	10		BDCARP
Cc1cc(C[NH+](C)C)cc(C[NH+](C)C)c1O	ZINC000071772949	383999845	/nfs/dbraw/zinc/99/98/45/383999845.db2.gz	NYNRDINGKLPEGU-UHFFFAOYSA-N	2	0	222.332	1.824	50	10		BDCARP
[NH3+]Cc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000245204346	386588299	/nfs/dbraw/zinc/58/82/99/386588299.db2.gz	YZPQCAYHQLFTKD-AWEZNQCLSA-N	2	0	231.343	1.430	50	10		BDCARP
CC[NH+]1CCN(c2ccc(C[NH3+])cc2F)CC1	ZINC000020469738	132331780	/nfs/dbraw/zinc/33/17/80/132331780.db2.gz	ONYJFOAYHDGOFX-UHFFFAOYSA-N	2	0	237.322	1.426	50	10		BDCARP
CN(C)c1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1	ZINC000010315380	342835449	/nfs/dbraw/zinc/83/54/49/342835449.db2.gz	LVFHNOKMDJFQKW-UHFFFAOYSA-N	2	0	247.386	1.842	50	10		BDCARP
[NH3+]Cc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000020352244	132331152	/nfs/dbraw/zinc/33/11/52/132331152.db2.gz	YZPQCAYHQLFTKD-CQSZACIVSA-N	2	0	231.343	1.430	50	10		BDCARP
COc1cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c1	ZINC000000187878	342679436	/nfs/dbraw/zinc/67/94/36/342679436.db2.gz	HIXNUSUJXZDHKB-UHFFFAOYSA-N	2	0	238.331	1.524	50	10		BDCARP
CN(C)c1ccc(C[NH2+]CCC[NH+](C)C)cc1	ZINC000057901293	384969903	/nfs/dbraw/zinc/96/99/03/384969903.db2.gz	RZBFKJUBQNZTQS-UHFFFAOYSA-N	2	0	235.375	1.794	50	10		BDCARP
[NH3+][C@@H]1CCCN(Cc2ccccc2O)C1	ZINC000038539472	348711778	/nfs/dbraw/zinc/71/17/78/348711778.db2.gz	JXYXDWHJIBGHSV-LLVKDONJSA-N	2	0	206.289	1.315	50	10		BDCARP
C[NH2+]Cc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000012370639	173389169	/nfs/dbraw/zinc/38/91/69/173389169.db2.gz	NOEOYDRQGMQWID-UHFFFAOYSA-N	2	0	233.359	1.548	50	10		BDCARP