smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2cc([C@H]3C[N@H+](C[C@H]4CC[C@@H]([NH3+])CC4)CCO3)ccc2c1	ZINC000247960363	525640234	/nfs/dbraw/zinc/64/02/34/525640234.db2.gz	QJYRHBSHOUEVLB-QGCDCVKKSA-N	2	0	354.494	3.739	10	0		FHAERP
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]([NH3+])c1ccccc1	ZINC000034055701	570647534	/nfs/dbraw/zinc/64/75/34/570647534.db2.gz	QOFZYOSOELDKMC-JKWVGCSGSA-N	2	0	367.541	3.968	10	0	in-vitro	FHAERP
Cn1cc(C[NH+]2CCC([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cn1	ZINC000020905954	527197426	/nfs/dbraw/zinc/19/74/26/527197426.db2.gz	DHAWIYNFQGKKQP-FQEVSTJZSA-N	2	0	372.944	3.808	10	0		FHAERP
Cc1cc(N2CCC3(CCC[N@@H+]3Cc3cnc[nH]3)CC2)c2ccccc2[nH+]1	ZINC000072429371	136146782	/nfs/dbraw/zinc/14/67/82/136146782.db2.gz	NEQJGVWSUQBVHS-UHFFFAOYSA-N	2	0	361.493	3.901	10	0		FHAERP
Cc1ccc(C2(C[N@H+](C)Cc3ccc4ccccc4n3)CC[NH2+]CC2)nc1	ZINC000065505876	205357077	/nfs/dbraw/zinc/35/70/77/205357077.db2.gz	VEMYSOREZBHIMN-UHFFFAOYSA-N	2	0	360.505	3.691	10	0		FHAERP
FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1	ZINC000311909214	568198314	/nfs/dbraw/zinc/19/83/14/568198314.db2.gz	DVLOHXSZXLFVJU-APAFKAMOSA-N	2	0	368.443	3.597	10	0		FHAERP
C[NH+]1CCC(C[N@H+](CCc2ccccc2)Cc2ccc3nonc3c2)CC1	ZINC000015077749	570832481	/nfs/dbraw/zinc/83/24/81/570832481.db2.gz	OXIKAIBZXITQSZ-UHFFFAOYSA-N	2	0	364.493	3.609	10	0		FHAERP
Cc1nc(C[NH3+])cc(NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)n1	ZINC000039489623	208212635	/nfs/dbraw/zinc/21/26/35/208212635.db2.gz	STHJXIPMCQCBAI-GOSISDBHSA-N	2	0	359.905	3.536	10	0		FHAERP
C[C@H](O)C[NH+]1CCC(CN(C)Cc2csc(C3CCCCC3)n2)CC1	ZINC000106124847	568726989	/nfs/dbraw/zinc/72/69/89/568726989.db2.gz	WGASVZXNELOLNX-INIZCTEOSA-N	2	0	365.587	3.715	10	0		FHAERP
CC[NH+](CC)CCCn1c2ccc(C(F)(F)F)cc2nc1CCC[NH3+]	ZINC000040403965	208252076	/nfs/dbraw/zinc/25/20/76/208252076.db2.gz	VKMHVEUXCHGNDU-UHFFFAOYSA-N	2	0	356.436	3.678	10	0		FHAERP
CCn1ncc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c1C	ZINC000012707596	570757450	/nfs/dbraw/zinc/75/74/50/570757450.db2.gz	KCZDEAXFHXIMDJ-UHFFFAOYSA-N	2	0	372.532	3.737	10	0		FHAERP
c1cc(C[N@H+](Cc2cnn3ccccc23)[C@H]2CC23CC[NH2+]CC3)cs1	ZINC000328652638	571326069	/nfs/dbraw/zinc/32/60/69/571326069.db2.gz	WOBJQHVFVKXFMO-IBGZPJMESA-N	2	0	352.507	3.540	10	0		FHAERP
C[NH+]1CCC(c2nccn2CC[N@@H+]2CCC[C@H](c3ccccc3)C2)CC1	ZINC000071747295	571079888	/nfs/dbraw/zinc/07/98/88/571079888.db2.gz	WCJBATWFRCNRFL-NRFANRHFSA-N	2	0	352.526	3.572	10	0		FHAERP
FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCO1	ZINC000311909215	568198289	/nfs/dbraw/zinc/19/82/89/568198289.db2.gz	DVLOHXSZXLFVJU-FQBWVUSXSA-N	2	0	368.443	3.597	10	0		FHAERP
Cc1c(C[N@H+](C)CC2CC[NH+](CCO)CC2)c2ccccc2n1CC(C)C	ZINC000055120332	571116712	/nfs/dbraw/zinc/11/67/12/571116712.db2.gz	BJAPJSRXDICMTQ-UHFFFAOYSA-N	2	0	371.569	3.742	10	0		FHAERP
O[C@H]1[C@H]([N@H+]2CC=CCC2)c2ccccc2C12CC[NH+](Cc1ccccc1)CC2	ZINC000020201860	211271487	/nfs/dbraw/zinc/27/14/87/211271487.db2.gz	CVDMCQKZFJDGSZ-RPWUZVMVSA-N	2	0	374.528	3.898	10	0		FHAERP
c1cc(C[N@H+](Cc2cnn3ccccc23)[C@@H]2CC23CC[NH2+]CC3)cs1	ZINC000328652639	571326079	/nfs/dbraw/zinc/32/60/79/571326079.db2.gz	WOBJQHVFVKXFMO-LJQANCHMSA-N	2	0	352.507	3.540	10	0		FHAERP
CC(C)c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCCCC2)c(O)c1=O	ZINC000031518794	210245008	/nfs/dbraw/zinc/24/50/08/210245008.db2.gz	POPKMEILBXVSBS-UHFFFAOYSA-N	2	0	358.526	3.848	10	0		FHAERP
FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1	ZINC000311909218	568198300	/nfs/dbraw/zinc/19/83/00/568198300.db2.gz	DVLOHXSZXLFVJU-VHPHOLNESA-N	2	0	368.443	3.597	10	0		FHAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)C2c3ccccc3-c3ccccc32)CC1	ZINC000106126203	568729539	/nfs/dbraw/zinc/72/95/39/568729539.db2.gz	TZTWDQOMBXEUKC-KRWDZBQOSA-N	2	0	350.506	3.781	10	0		FHAERP
Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000486938982	571198093	/nfs/dbraw/zinc/19/80/93/571198093.db2.gz	DPJZPQUOTPCYPN-HRAATJIYSA-N	2	0	352.482	3.647	10	0		FHAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C2c3ccccc3-c3ccccc32)CC1	ZINC000106126207	568729559	/nfs/dbraw/zinc/72/95/59/568729559.db2.gz	TZTWDQOMBXEUKC-QGZVFWFLSA-N	2	0	350.506	3.781	10	0		FHAERP
Cc1cc(NC(N)=[NH2+])ccc1-c1ccc(-c2ccc(NC(N)=[NH2+])cc2C)o1	ZINC000006522034	210231874	/nfs/dbraw/zinc/23/18/74/210231874.db2.gz	KOFVLPOSCTWTOE-UHFFFAOYSA-N	2	0	362.437	3.841	10	0		FHAERP
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc4nsnc4c3)CC2)o1	ZINC000011953277	570713147	/nfs/dbraw/zinc/71/31/47/570713147.db2.gz	ONSKQGNSVYKJGZ-UHFFFAOYSA-N	2	0	370.522	3.937	10	0		FHAERP
CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)cc1	ZINC000012024544	219947092	/nfs/dbraw/zinc/94/70/92/219947092.db2.gz	GWOPHXPJGFIIPD-OAQYLSRUSA-N	2	0	357.542	3.835	10	0		FHAERP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCCc2ccccc2)c1	ZINC000017039550	534961614	/nfs/dbraw/zinc/96/16/14/534961614.db2.gz	IRLXONLJLMXJCM-UHFFFAOYSA-N	2	0	363.509	3.828	10	0		FHAERP
O=C(NCCC[NH+]1CCCCC1)c1cc2c(s1)C[N@@H+](C1CCCC1)C2	ZINC000065239088	221184892	/nfs/dbraw/zinc/18/48/92/221184892.db2.gz	OXHLXPNOSVVRDF-UHFFFAOYSA-N	2	0	361.555	3.612	10	0		FHAERP
C[NH+]1CCC(c2nccn2CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1	ZINC000071747296	221359319	/nfs/dbraw/zinc/35/93/19/221359319.db2.gz	WCJBATWFRCNRFL-OAQYLSRUSA-N	2	0	352.526	3.572	10	0		FHAERP
COc1ccc2cc([C@@H]3C[N@H+](C[C@H]4CC[C@@H]([NH3+])CC4)CCO3)ccc2c1	ZINC000247960361	525638543	/nfs/dbraw/zinc/63/85/43/525638543.db2.gz	QJYRHBSHOUEVLB-AQKFKSFVSA-N	2	0	354.494	3.739	10	0		FHAERP
Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]([NH3+])c1ccccc1	ZINC000306122179	571204119	/nfs/dbraw/zinc/20/41/19/571204119.db2.gz	QOFZYOSOELDKMC-WOZUAGRISA-N	2	0	367.541	3.968	10	0		FHAERP
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]([NH3+])c1ccccc1	ZINC000306146966	223114219	/nfs/dbraw/zinc/11/42/19/223114219.db2.gz	QOFZYOSOELDKMC-JGUMPVPUSA-N	2	0	367.541	3.968	10	0		FHAERP
[NH3+][C@@H](Cc1ccccc1)C[C@@H](O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1	ZINC000071606501	221351654	/nfs/dbraw/zinc/35/16/54/221351654.db2.gz	XJQKCRJVAIXEBV-ISJGIBHGSA-N	2	0	374.528	3.709	10	0		FHAERP
FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCO1	ZINC000311909217	568198270	/nfs/dbraw/zinc/19/82/70/568198270.db2.gz	DVLOHXSZXLFVJU-NNIGNNQHSA-N	2	0	368.443	3.597	10	0		FHAERP
CC(C)C[C@@]1(CO)[NH2+][C@H](c2ccccc2-c2ccccc2)[C@@H]2C[N@H+](C)C[C@@H]21	ZINC000065373860	221205046	/nfs/dbraw/zinc/20/50/46/221205046.db2.gz	XQWAPSKEGMLKCG-QPXUXIHVSA-N	2	0	364.533	3.953	10	0		FHAERP
Cn1cc(C[NH+]2CCC([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cn1	ZINC000020905952	527197275	/nfs/dbraw/zinc/19/72/75/527197275.db2.gz	DHAWIYNFQGKKQP-HXUWFJFHSA-N	2	0	372.944	3.808	10	0		FHAERP
Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]([NH3+])c1ccccc1	ZINC000306122178	571204160	/nfs/dbraw/zinc/20/41/60/571204160.db2.gz	QOFZYOSOELDKMC-BQJUDKOJSA-N	2	0	367.541	3.968	10	0		FHAERP