smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[NH+]2CCC3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)CC3)CC2)cc1	ZINC001164759435	721045543	/nfs/dbraw/zinc/04/55/43/721045543.db2.gz	MHGKLMNVNPJSJD-UHFFFAOYSA-N	2	0	425.020	4.572	20	0		IJADRP
COc1cc2c[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc2cc1OC	ZINC001164839085	720716416	/nfs/dbraw/zinc/71/64/16/720716416.db2.gz	KOMPXPGRSKNXMD-HSZRJFAPSA-N	2	0	447.579	4.512	20	0		IJADRP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)[C@@H]2C	ZINC001164864208	720971965	/nfs/dbraw/zinc/97/19/65/720971965.db2.gz	ZOTZINUBQDDVCX-HXUWFJFHSA-N	2	0	428.584	4.703	20	0		IJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)nc1	ZINC001164798066	721597409	/nfs/dbraw/zinc/59/74/09/721597409.db2.gz	IRTFQPWXFYHOAW-HSZRJFAPSA-N	2	0	433.575	4.699	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC([NH+](C)Cc4ccncc4)C3)CC2)nc1	ZINC001164796206	721503307	/nfs/dbraw/zinc/50/33/07/721503307.db2.gz	PTGFKDJQXLLOFU-RUZDIDTESA-N	2	0	433.644	4.905	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)cc2)c2ncnc3c2CC[NH2+]CC3)nc1	ZINC001164971617	722078570	/nfs/dbraw/zinc/07/85/70/722078570.db2.gz	WIHGZDNKBQJXEY-RUZDIDTESA-N	2	0	442.611	4.885	20	0		IJADRP
c1cc(CN2CCC([NH+]3CCCCC3)CC2)cc(CN2CCC([NH+]3CCCCC3)CC2)c1	ZINC000006525391	562947024	/nfs/dbraw/zinc/94/70/24/562947024.db2.gz	RRRHINBVIYSRQH-UHFFFAOYSA-N	2	0	438.704	4.587	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1	ZINC001164839675	720724968	/nfs/dbraw/zinc/72/49/68/720724968.db2.gz	MOFOTDMZGMIGBF-IZZNHLLZSA-N	2	0	448.655	4.888	20	0		IJADRP
c1cc(CN2CCC([NH+]3CCCCC3)CC2)ccc1CN1CCC([NH+]2CCCCC2)CC1	ZINC000006535600	562947244	/nfs/dbraw/zinc/94/72/44/562947244.db2.gz	DQHQOPCRLVKVLZ-UHFFFAOYSA-N	2	0	438.704	4.587	20	0		IJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1	ZINC001164776390	721329719	/nfs/dbraw/zinc/32/97/19/721329719.db2.gz	FESUTWIUHVUKEH-ZWEKWIFMSA-N	2	0	434.628	4.986	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1	ZINC001164649856	719297345	/nfs/dbraw/zinc/29/73/45/719297345.db2.gz	HTCOHVXTEKCUJM-BFLUCZKCSA-N	2	0	438.591	4.817	20	0		IJADRP
COc1cc2c[nH+]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)cc2cc1OC	ZINC001164693438	719814628	/nfs/dbraw/zinc/81/46/28/719814628.db2.gz	VBQYBGRSSUCDIJ-UHFFFAOYSA-N	2	0	438.597	4.652	20	0		IJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH+](Cc4cccnc4)C3)CC2)nc1	ZINC001164961385	722024132	/nfs/dbraw/zinc/02/41/32/722024132.db2.gz	NLHSOHOSJLDBSD-VWLOTQADSA-N	2	0	433.644	4.906	20	0		IJADRP
c1csc(C[N@@H+]2CCOC3(CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC3)C2)c1	ZINC001164707287	719899197	/nfs/dbraw/zinc/89/91/97/719899197.db2.gz	OKZGKITULKGWCX-UHFFFAOYSA-N	2	0	448.636	4.768	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1	ZINC001164707721	719904298	/nfs/dbraw/zinc/90/42/98/719904298.db2.gz	WHSMZMWKXSQRCA-HSZRJFAPSA-N	2	0	440.657	4.561	20	0		IJADRP
COc1cc2c[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc2cc1OC	ZINC001164839087	720716933	/nfs/dbraw/zinc/71/69/33/720716933.db2.gz	KOMPXPGRSKNXMD-QHCPKHFHSA-N	2	0	447.579	4.512	20	0		IJADRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21	ZINC001165026764	721825855	/nfs/dbraw/zinc/82/58/55/721825855.db2.gz	QBLIOIYWERAPLC-HDYLNDSGSA-N	2	0	441.623	4.967	20	0		IJADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1	ZINC001164707722	719905048	/nfs/dbraw/zinc/90/50/48/719905048.db2.gz	WHSMZMWKXSQRCA-QHCPKHFHSA-N	2	0	440.657	4.561	20	0		IJADRP
COc1cc2c[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)cc2cc1OC	ZINC001164796349	721501820	/nfs/dbraw/zinc/50/18/20/721501820.db2.gz	QUTMVIHVSMOCBX-UHFFFAOYSA-N	2	0	432.568	4.528	20	0		IJADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N(c2ccc(C)cc2)c2ncnc3c2CC[NH2+]CC3)nc1	ZINC001164971618	722078680	/nfs/dbraw/zinc/07/86/80/722078680.db2.gz	WIHGZDNKBQJXEY-VWLOTQADSA-N	2	0	442.611	4.885	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1	ZINC001164649857	719297122	/nfs/dbraw/zinc/29/71/22/719297122.db2.gz	HTCOHVXTEKCUJM-DGWZTRNLSA-N	2	0	438.591	4.817	20	0		IJADRP
c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12	ZINC001164955498	722018737	/nfs/dbraw/zinc/01/87/37/722018737.db2.gz	JLDSTYOTMRHJGK-UHFFFAOYSA-N	2	0	437.591	4.972	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1	ZINC001164649858	719297241	/nfs/dbraw/zinc/29/72/41/719297241.db2.gz	HTCOHVXTEKCUJM-GSLIJJQTSA-N	2	0	438.591	4.817	20	0		IJADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC([NH+](C)Cc4ccncc4)C3)CC2)nc1	ZINC001164796208	721503202	/nfs/dbraw/zinc/50/32/02/721503202.db2.gz	PTGFKDJQXLLOFU-VWLOTQADSA-N	2	0	433.644	4.905	20	0		IJADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1	ZINC001164839681	720725306	/nfs/dbraw/zinc/72/53/06/720725306.db2.gz	MOFOTDMZGMIGBF-UIOOFZCWSA-N	2	0	448.655	4.888	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1	ZINC001164649859	719297057	/nfs/dbraw/zinc/29/70/57/719297057.db2.gz	HTCOHVXTEKCUJM-MZKUHISZSA-N	2	0	438.591	4.817	20	0		IJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH+](Cc4cccnc4)C3)CC2)nc1	ZINC001164961383	722023965	/nfs/dbraw/zinc/02/39/65/722023965.db2.gz	NLHSOHOSJLDBSD-RUZDIDTESA-N	2	0	433.644	4.906	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1	ZINC001164839664	720724336	/nfs/dbraw/zinc/72/43/36/720724336.db2.gz	MOFOTDMZGMIGBF-CLJLJLNGSA-N	2	0	448.655	4.888	20	0		IJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)nc1	ZINC001164798067	721597271	/nfs/dbraw/zinc/59/72/71/721597271.db2.gz	IRTFQPWXFYHOAW-QHCPKHFHSA-N	2	0	433.575	4.699	20	0		IJADRP
COc1cc2cc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC	ZINC001164840559	720694681	/nfs/dbraw/zinc/69/46/81/720694681.db2.gz	GNNLTDNLPIPLNI-QFIPXVFZSA-N	2	0	447.579	4.512	20	0		IJADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1	ZINC001164839670	720724560	/nfs/dbraw/zinc/72/45/60/720724560.db2.gz	MOFOTDMZGMIGBF-FTJBHMTQSA-N	2	0	448.655	4.888	20	0		IJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1	ZINC001164776382	721329327	/nfs/dbraw/zinc/32/93/27/721329327.db2.gz	FESUTWIUHVUKEH-WEWMWRJBSA-N	2	0	434.628	4.986	20	0		IJADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2ccc(C)cc2)CCO3)nc1	ZINC001164940829	721933073	/nfs/dbraw/zinc/93/30/73/721933073.db2.gz	FEZWBEBRCGMYNT-SANMLTNESA-N	2	0	448.655	4.808	20	0		IJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2ccc(C)cc2)CCO3)nc1	ZINC001164940828	721933405	/nfs/dbraw/zinc/93/34/05/721933405.db2.gz	FEZWBEBRCGMYNT-AREMUKBSSA-N	2	0	448.655	4.808	20	0		IJADRP
COc1cc2cc[nH+]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2cc1OC	ZINC001164692953	719809975	/nfs/dbraw/zinc/80/99/75/719809975.db2.gz	OKSVOTGFBKIMHV-UHFFFAOYSA-N	2	0	438.597	4.652	20	0		IJADRP
Cc1ccc(C[NH+]2CCC3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC3)CC2)cc1	ZINC001164759973	721046945	/nfs/dbraw/zinc/04/69/45/721046945.db2.gz	SEIASCNYIWRMIS-UHFFFAOYSA-N	3	0	448.655	4.746	20	0		IJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1	ZINC001164776376	721329435	/nfs/dbraw/zinc/32/94/35/721329435.db2.gz	FESUTWIUHVUKEH-RGSZASNESA-N	2	0	434.628	4.986	20	0		IJADRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21	ZINC001165026766	721825909	/nfs/dbraw/zinc/82/59/09/721825909.db2.gz	QBLIOIYWERAPLC-ZSQFBXSQSA-N	2	0	441.623	4.967	20	0		IJADRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21	ZINC001165026765	721825982	/nfs/dbraw/zinc/82/59/82/721825982.db2.gz	QBLIOIYWERAPLC-UCGXPXSYSA-N	2	0	441.623	4.967	20	0		IJADRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21	ZINC001165026763	721825847	/nfs/dbraw/zinc/82/58/47/721825847.db2.gz	QBLIOIYWERAPLC-DNRSQYFGSA-N	2	0	441.623	4.967	20	0		IJADRP
COc1cc2cc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC	ZINC001164840557	720695227	/nfs/dbraw/zinc/69/52/27/720695227.db2.gz	GNNLTDNLPIPLNI-JOCHJYFZSA-N	2	0	447.579	4.512	20	0		IJADRP
COc1cc2cc[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC	ZINC001164792993	721495948	/nfs/dbraw/zinc/49/59/48/721495948.db2.gz	XRPFEBNHXJFEPE-UHFFFAOYSA-N	2	0	432.568	4.528	20	0		IJADRP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)[C@H]2C	ZINC001164864207	720972411	/nfs/dbraw/zinc/97/24/11/720972411.db2.gz	ZOTZINUBQDDVCX-FQEVSTJZSA-N	2	0	428.584	4.703	20	0		IJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1	ZINC001164776379	721329623	/nfs/dbraw/zinc/32/96/23/721329623.db2.gz	FESUTWIUHVUKEH-SLQPCKNISA-N	2	0	434.628	4.986	20	0		IJADRP