smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C[NH2+]C)NC[C@@H](CCC)[NH2+]CCC1CCCC1	ZINC000045290323	175353889	/nfs/dbraw/zinc/35/38/89/175353889.db2.gz	SONVDUXBUZEESD-QZTJIDSGSA-N	2	0	297.531	3.303	1	0		CGAFRP
c1cc[n+](CCCCCCCC[n+]2ccccc2)cc1	ZINC000013859946	170604975	/nfs/dbraw/zinc/60/49/75/170604975.db2.gz	NZCUMPHHTZXRCK-UHFFFAOYSA-N	2	0	270.420	3.302	1	0		CGAFRP
C[C@H]1CC[C@H]([N@H+](CCC[NH3+])Cc2ccco2)C[C@@H]1C	ZINC000004820465	170023356	/nfs/dbraw/zinc/02/33/56/170023356.db2.gz	UDTRLIVLFCHUOX-KKUMJFAQSA-N	2	0	264.413	3.255	1	0		CGAFRP
C[C@@H](Cc1ccc(OCC[NH+]2CCCCC2)cc1)[NH+](C)C	ZINC000005127660	170068805	/nfs/dbraw/zinc/06/88/05/170068805.db2.gz	BZCQZAHRNSSHRA-INIZCTEOSA-N	2	0	290.451	3.044	1	0		CGAFRP
C[NH+](C)CCc1c2c[nH+]ccc2[nH]c1-c1ccccc1	ZINC000096142570	185106541	/nfs/dbraw/zinc/10/65/41/185106541.db2.gz	GRZMIEOCEFYZTK-UHFFFAOYSA-N	2	0	265.360	3.334	1	0		CGAFRP
[NH3+]Cc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1	ZINC000095584709	185012815	/nfs/dbraw/zinc/01/28/15/185012815.db2.gz	DXMDPRFUKQLCHD-UHFFFAOYSA-N	2	0	270.420	3.204	1	0		CGAFRP
NC(=[NH2+])c1ccc(-c2cc3cc(C(N)=[NH2+])ccc3s2)cc1	ZINC000006536331	170211373	/nfs/dbraw/zinc/21/13/73/170211373.db2.gz	SGOXAHNOWQRUOD-UHFFFAOYSA-N	2	0	294.383	3.136	1	0		CGAFRP
C[NH+](C)CCCn1c2ccccc2c2c1CC[C@@H]([NH+](C)C)C2	ZINC000039214082	174166468	/nfs/dbraw/zinc/16/64/68/174166468.db2.gz	WNDFVMMQWBLKGZ-OAHLLOKOSA-N	2	0	299.462	3.012	1	0		CGAFRP
Cc1cc(N)[nH+]c(CCCCCc2cc(C)cc(N)[nH+]2)c1	ZINC000095921097	185031624	/nfs/dbraw/zinc/03/16/24/185031624.db2.gz	UWCJUMUVUHRQQV-UHFFFAOYSA-N	2	0	284.407	3.213	1	0	in-vitro	CGAFRP
C[C@H]1CC[C@@H]([N@H+](CCC[NH3+])Cc2ccco2)C[C@@H]1C	ZINC000004820467	170023331	/nfs/dbraw/zinc/02/33/31/170023331.db2.gz	UDTRLIVLFCHUOX-SOUVJXGZSA-N	2	0	264.413	3.255	1	0		CGAFRP
C[NH2+][C@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CC1	ZINC000103069083	185806135	/nfs/dbraw/zinc/80/61/35/185806135.db2.gz	YWHNLKGNTDJGQJ-KDURUIRLSA-N	2	0	295.430	3.369	1	0		CGAFRP
Cc1c[nH+]cc(C)c1Nc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000052634508	526185344	/nfs/dbraw/zinc/18/53/44/526185344.db2.gz	BDODJZYHQXXMMX-UHFFFAOYSA-N	2	0	296.418	3.194	1	0		CGAFRP
C[C@H](Cc1ccc(OCC[NH+]2CCCCC2)cc1)[NH+](C)C	ZINC000005127663	170068740	/nfs/dbraw/zinc/06/87/40/170068740.db2.gz	BZCQZAHRNSSHRA-MRXNPFEDSA-N	2	0	290.451	3.044	1	0		CGAFRP
Cc1c[nH+]c(NCCC[NH+](C)C)c2c3ccccc3n(C)c21	ZINC000005161447	170072058	/nfs/dbraw/zinc/07/20/58/170072058.db2.gz	QFDWHVDMGIUYBQ-UHFFFAOYSA-N	2	0	296.418	3.399	1	0		CGAFRP
Clc1cccc[n+]1CCCC[n+]1ccccc1Cl	ZINC000072134948	176322199	/nfs/dbraw/zinc/32/21/99/176322199.db2.gz	FWLROAYWXDTVAC-UHFFFAOYSA-N	2	0	283.202	3.049	1	0		CGAFRP
[NH3+]CCCC[NH2+]CCCC[NH2+]Cc1cccc2ccccc21	ZINC000013529665	170558627	/nfs/dbraw/zinc/55/86/27/170558627.db2.gz	LSZQMBGSRGITMM-UHFFFAOYSA-N	3	0	299.462	3.038	1	0		CGAFRP
[NH2+]=C(Cc1ccc(Cl)cc1)NCC[NH+]1CCCCCC1	ZINC000045189826	175326105	/nfs/dbraw/zinc/32/61/05/175326105.db2.gz	LKWHFWRVCDNFEB-UHFFFAOYSA-N	2	0	293.842	3.325	1	0		CGAFRP
Clc1ccc[n+](CCCCC[n+]2cccc(Cl)c2)c1	ZINC000072140962	176323613	/nfs/dbraw/zinc/32/36/13/176323613.db2.gz	XCKHVGIQXHXVBZ-UHFFFAOYSA-N	2	0	297.229	3.439	1	0		CGAFRP
C[NH+](C)CCCn1c2ccccc2c2c1CC[C@H]([NH+](C)C)C2	ZINC000039214081	174166179	/nfs/dbraw/zinc/16/61/79/174166179.db2.gz	WNDFVMMQWBLKGZ-HNNXBMFYSA-N	2	0	299.462	3.012	1	0		CGAFRP