smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1	ZINC000159430093	551565417	/nfs/dbraw/zinc/56/54/17/551565417.db2.gz	MHVNCGKYMOKZSH-QGZVFWFLSA-N	2	2	386.323	2.786	20	70		GFIDLP
NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1	ZINC000159430093	551565419	/nfs/dbraw/zinc/56/54/19/551565419.db2.gz	MHVNCGKYMOKZSH-QGZVFWFLSA-N	2	2	386.323	2.786	20	70		GFIDLP
NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1	ZINC000159403321	551564416	/nfs/dbraw/zinc/56/44/16/551564416.db2.gz	GBQSCGJWDZBTMZ-INIZCTEOSA-N	2	2	386.323	2.786	20	70		GFIDLP
NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1	ZINC000159403321	551564420	/nfs/dbraw/zinc/56/44/20/551564420.db2.gz	GBQSCGJWDZBTMZ-INIZCTEOSA-N	2	2	386.323	2.786	20	70		GFIDLP
CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc(Br)ccc2[nH]1	ZINC000161178540	551591320	/nfs/dbraw/zinc/59/13/20/551591320.db2.gz	FBTAZWUFYPNELO-UHFFFAOYSA-N	2	2	394.361	2.783	20	70		GFIDLP
CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc(Br)ccc2[nH]1	ZINC000161178540	551591321	/nfs/dbraw/zinc/59/13/21/551591321.db2.gz	FBTAZWUFYPNELO-UHFFFAOYSA-N	2	2	394.361	2.783	20	70		GFIDLP
CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2ccc(Br)cc2[nH]1	ZINC000161178540	551591322	/nfs/dbraw/zinc/59/13/22/551591322.db2.gz	FBTAZWUFYPNELO-UHFFFAOYSA-N	2	2	394.361	2.783	20	70		GFIDLP
CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2ccc(Br)cc2[nH]1	ZINC000161178540	551591323	/nfs/dbraw/zinc/59/13/23/551591323.db2.gz	FBTAZWUFYPNELO-UHFFFAOYSA-N	2	2	394.361	2.783	20	70		GFIDLP
C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161377318	551593895	/nfs/dbraw/zinc/59/38/95/551593895.db2.gz	MXRNDKHARLHYJO-AWEZNQCLSA-N	2	2	389.297	2.993	20	70		GFIDLP
O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(Br)cc1	ZINC000161284818	551592139	/nfs/dbraw/zinc/59/21/39/551592139.db2.gz	IGFGYFGDGVLEFL-UHFFFAOYSA-N	2	2	375.270	2.605	20	70		GFIDLP
C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1Br	ZINC000160383097	551579950	/nfs/dbraw/zinc/57/99/50/551579950.db2.gz	NTKFYJOTHFKCLV-UHFFFAOYSA-N	2	2	390.329	2.623	20	70		GFIDLP
C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1Br	ZINC000160383097	551579953	/nfs/dbraw/zinc/57/99/53/551579953.db2.gz	NTKFYJOTHFKCLV-UHFFFAOYSA-N	2	2	390.329	2.623	20	70		GFIDLP
Brc1cc2c(cc1C[NH+]1CCN(c3cc[nH+]cc3)CC1)OCCO2	ZINC000161402011	551594036	/nfs/dbraw/zinc/59/40/36/551594036.db2.gz	JKFJXHFXPZQBGS-UHFFFAOYSA-N	2	2	390.281	2.938	20	70		GFIDLP
Cc1cc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1Br	ZINC000161295109	551592920	/nfs/dbraw/zinc/59/29/20/551592920.db2.gz	GBRNIXYJPBXQNB-UHFFFAOYSA-N	2	2	389.297	2.913	20	70		GFIDLP
NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1	ZINC000159403158	551564653	/nfs/dbraw/zinc/56/46/53/551564653.db2.gz	GBQSCGJWDZBTMZ-MRXNPFEDSA-N	2	2	386.323	2.786	20	70		GFIDLP
NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1	ZINC000159403158	551564656	/nfs/dbraw/zinc/56/46/56/551564656.db2.gz	GBQSCGJWDZBTMZ-MRXNPFEDSA-N	2	2	386.323	2.786	20	70		GFIDLP
NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1	ZINC000159430214	551565139	/nfs/dbraw/zinc/56/51/39/551565139.db2.gz	MHVNCGKYMOKZSH-KRWDZBQOSA-N	2	2	386.323	2.786	20	70		GFIDLP
NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1	ZINC000159430214	551565142	/nfs/dbraw/zinc/56/51/42/551565142.db2.gz	MHVNCGKYMOKZSH-KRWDZBQOSA-N	2	2	386.323	2.786	20	70		GFIDLP
C[N@H+](Cc1ccc(Br)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000160800773	551585379	/nfs/dbraw/zinc/58/53/79/551585379.db2.gz	WFHKPDCNIVKHBU-UHFFFAOYSA-N	2	2	390.329	2.623	20	70		GFIDLP
C[N@@H+](Cc1ccc(Br)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000160800773	551585381	/nfs/dbraw/zinc/58/53/81/551585381.db2.gz	WFHKPDCNIVKHBU-UHFFFAOYSA-N	2	2	390.329	2.623	20	70		GFIDLP
Cc1cc(Br)ccc1NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161346766	551593476	/nfs/dbraw/zinc/59/34/76/551593476.db2.gz	PZMIMJDLZFSLIW-UHFFFAOYSA-N	2	2	389.297	2.913	20	70		GFIDLP
C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161377437	551594080	/nfs/dbraw/zinc/59/40/80/551594080.db2.gz	MXRNDKHARLHYJO-CQSZACIVSA-N	2	2	389.297	2.993	20	70		GFIDLP