smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[N@H+](Cc1c(F)cccc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093155	202315379	/nfs/dbraw/zinc/31/53/79/202315379.db2.gz	VRPFRMLBGQJJSX-UHFFFAOYSA-N	2	1	332.385	4.055	1	0		EIAFMP
CC(C)C[N@@H+](Cc1c(F)cccc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093155	202315383	/nfs/dbraw/zinc/31/53/83/202315383.db2.gz	VRPFRMLBGQJJSX-UHFFFAOYSA-N	2	1	332.385	4.055	1	0		EIAFMP
C[NH+](C)CCc1ccc(C2=CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1	ZINC000036289133	202320061	/nfs/dbraw/zinc/32/00/61/202320061.db2.gz	XVEDKZVZEARJTI-LADGPHEKSA-N	2	1	346.518	4.326	1	0		EIAFMP
C[NH+](C)CCc1ccc(C2=CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1	ZINC000029128320	202181826	/nfs/dbraw/zinc/18/18/26/202181826.db2.gz	XVEDKZVZEARJTI-VWNXMTODSA-N	2	1	346.518	4.326	1	0		EIAFMP
CC(C)C[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093172	213061492	/nfs/dbraw/zinc/06/14/92/213061492.db2.gz	ALDYOAMDNHLYFY-UHFFFAOYSA-N	2	1	332.385	4.055	1	0		EIAFMP
CC(C)C[N@H+](Cc1ccc(C(F)(F)F)cc1F)C1CC[NH2+]CC1	ZINC000036093184	213062082	/nfs/dbraw/zinc/06/20/82/213062082.db2.gz	RYBKAECQSIBTTL-UHFFFAOYSA-N	2	1	332.385	4.055	1	0		EIAFMP
CC(C)C[N@@H+](Cc1ccc(C(F)(F)F)cc1F)C1CC[NH2+]CC1	ZINC000036093184	213062084	/nfs/dbraw/zinc/06/20/84/213062084.db2.gz	RYBKAECQSIBTTL-UHFFFAOYSA-N	2	1	332.385	4.055	1	0		EIAFMP
FC(F)(F)c1ccccc1C[N@@H+](C1CCCC1)C1CC[NH2+]CC1	ZINC000036093140	213061341	/nfs/dbraw/zinc/06/13/41/213061341.db2.gz	XEPDVQDRLJLQLN-UHFFFAOYSA-N	2	1	326.406	4.202	1	0		EIAFMP
c1ccc2c(C[NH+]3CC[C@@]4(C3)CCC[N@H+](CC3CCC3)C4)ccnc2c1	ZINC000011817408	211250798	/nfs/dbraw/zinc/25/07/98/211250798.db2.gz	AFCZXJWYBNYVIN-QHCPKHFHSA-N	2	1	349.522	4.323	1	0		EIAFMP
c1ccc2c(C[N@H+]3CC[C@@]4(C3)CCC[NH+](CC3CCC3)C4)ccnc2c1	ZINC000011817408	211250802	/nfs/dbraw/zinc/25/08/02/211250802.db2.gz	AFCZXJWYBNYVIN-QHCPKHFHSA-N	2	1	349.522	4.323	1	0		EIAFMP
c1ccc2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](CC3CCC3)C4)ccnc2c1	ZINC000011817408	211250804	/nfs/dbraw/zinc/25/08/04/211250804.db2.gz	AFCZXJWYBNYVIN-QHCPKHFHSA-N	2	1	349.522	4.323	1	0		EIAFMP
CC(C)C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093159	213062113	/nfs/dbraw/zinc/06/21/13/213062113.db2.gz	SYBBVGDRPQQUDK-UHFFFAOYSA-N	2	1	332.385	4.055	1	0		EIAFMP
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H]([NH3+])CC[C@]5(C)[C@H]4CC[C@]23C[N@H+]1C	ZINC000095911221	291009107	/nfs/dbraw/zinc/00/91/07/291009107.db2.gz	MDZRHDNUSKCTSP-QLPKIABKSA-N	2	1	328.544	4.207	1	0	biogenic,in-vitro	EIAFMP
Fc1ccc(C[N@@H+](CC2CCC2)C2CC[NH2+]CC2)c(C(F)(F)F)c1	ZINC000036093133	213061510	/nfs/dbraw/zinc/06/15/10/213061510.db2.gz	VVKADMNJXPXHTR-UHFFFAOYSA-N	2	1	344.396	4.199	1	0		EIAFMP
C[NH+](C)CCc1ccc(C2=CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1	ZINC000036289134	213081872	/nfs/dbraw/zinc/08/18/72/213081872.db2.gz	XVEDKZVZEARJTI-ISKFKSNPSA-N	2	1	346.518	4.326	1	0		EIAFMP
CCCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093178	213062027	/nfs/dbraw/zinc/06/20/27/213062027.db2.gz	SBVQNQUTDWXCGV-UHFFFAOYSA-N	2	1	332.385	4.199	1	0		EIAFMP
C[C@H](c1ccccn1)[N@@H+](CCCC[NH3+])Cc1ncccc1C(C)(C)C	ZINC000066065977	215005270	/nfs/dbraw/zinc/00/52/70/215005270.db2.gz	OSJFHDCHORASQE-QGZVFWFLSA-N	2	1	340.515	4.076	1	0		EIAFMP
CCC(CC)[N@@H+](Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093139	213062281	/nfs/dbraw/zinc/06/22/81/213062281.db2.gz	WZPMHSHOXSEHPH-UHFFFAOYSA-N	2	1	328.422	4.448	1	0		EIAFMP
Nc1[nH+]ccc2cc(C[NH2+]CCc3ccc(Cl)c(Cl)c3)ccc12	ZINC000066100853	215009835	/nfs/dbraw/zinc/00/98/35/215009835.db2.gz	BIJYCMAPFSDOCZ-UHFFFAOYSA-N	2	1	346.261	4.456	1	0		EIAFMP
Nc1[nH+]ccc2cc(C[NH2+]CCc3cccc(C(F)(F)F)c3)ccc12	ZINC000066100861	215009966	/nfs/dbraw/zinc/00/99/66/215009966.db2.gz	FHGICQLRHVZVCW-UHFFFAOYSA-N	2	1	345.368	4.168	1	0		EIAFMP
c1ccc2c(C[NH+]3CC[C@]4(C3)CCC[N@H+](CC3CCC3)C4)ccnc2c1	ZINC000011817407	211249921	/nfs/dbraw/zinc/24/99/21/211249921.db2.gz	AFCZXJWYBNYVIN-HSZRJFAPSA-N	2	1	349.522	4.323	1	0		EIAFMP
c1ccc2c(C[N@H+]3CC[C@]4(C3)CCC[NH+](CC3CCC3)C4)ccnc2c1	ZINC000011817407	211249923	/nfs/dbraw/zinc/24/99/23/211249923.db2.gz	AFCZXJWYBNYVIN-HSZRJFAPSA-N	2	1	349.522	4.323	1	0		EIAFMP
c1ccc2c(C[N@@H+]3CC[C@]4(C3)CCC[NH+](CC3CCC3)C4)ccnc2c1	ZINC000011817407	211249929	/nfs/dbraw/zinc/24/99/29/211249929.db2.gz	AFCZXJWYBNYVIN-HSZRJFAPSA-N	2	1	349.522	4.323	1	0		EIAFMP
Cc1c[nH+]c2ccccc2c1Nc1ccc(N2CC[N@@H+](C)[C@H](C)C2)cc1	ZINC000052962005	132185898	/nfs/dbraw/zinc/18/58/98/132185898.db2.gz	TVLLCWBBMXDYLI-QGZVFWFLSA-N	2	1	346.478	4.427	1	0		EIAFMP