smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H](C1)[C@H]3OC)OCCCO2	ZINC000217011663	241229947	/nfs/dbraw/zinc/22/99/47/241229947.db2.gz	YNDDUVYLAAEQJQ-BDQBCWGISA-N	1	1	333.428	2.713	50	70		EFIAMO
Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(C)c1C	ZINC000218276288	241309899	/nfs/dbraw/zinc/30/98/99/241309899.db2.gz	HUBCEPLTHJZRFK-LJQANCHMSA-N	1	1	340.471	2.714	50	70		EFIAMO
Cc1nn(CCC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C)c1C	ZINC000218276288	241309905	/nfs/dbraw/zinc/30/99/05/241309905.db2.gz	HUBCEPLTHJZRFK-LJQANCHMSA-N	1	1	340.471	2.714	50	70		EFIAMO
CC(C)c1[nH+]ccn1CCCNC(=O)[C@H]1CCc2ccccc2O1	ZINC000218746317	534916806	/nfs/dbraw/zinc/91/68/06/534916806.db2.gz	CVCPQPFFFYCXCH-QGZVFWFLSA-N	1	1	327.428	2.907	50	70		EFIAMO
CCOc1cc2c(cc1C[N@@H+]1CCCn3nc(CO)cc3C1)CCC2	ZINC000217557394	241259567	/nfs/dbraw/zinc/25/95/67/241259567.db2.gz	OZTKVGFIYPULDM-UHFFFAOYSA-N	1	1	341.455	2.669	50	70		EFIAMO
CCOc1cc2c(cc1C[N@H+]1CCCn3nc(CO)cc3C1)CCC2	ZINC000217557394	241259570	/nfs/dbraw/zinc/25/95/70/241259570.db2.gz	OZTKVGFIYPULDM-UHFFFAOYSA-N	1	1	341.455	2.669	50	70		EFIAMO
O[C@@H](c1cc2n(n1)CCC[N@@H+](CCc1ccccn1)C2)c1ccccc1	ZINC000217905083	241282881	/nfs/dbraw/zinc/28/28/81/241282881.db2.gz	WUFYCTAWTVGDEP-OAQYLSRUSA-N	1	1	348.450	2.808	50	70		EFIAMO
Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)c1C	ZINC000218276356	241310847	/nfs/dbraw/zinc/31/08/47/241310847.db2.gz	HUBCEPLTHJZRFK-IBGZPJMESA-N	1	1	340.471	2.714	50	70		EFIAMO
Cc1nn(CCC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)c1C	ZINC000218276356	241310851	/nfs/dbraw/zinc/31/08/51/241310851.db2.gz	HUBCEPLTHJZRFK-IBGZPJMESA-N	1	1	340.471	2.714	50	70		EFIAMO
Cc1nc2cc(CNC(=O)C[N@H+]3CC[C@@H](c4ccccc4)C3)ccc2[nH]1	ZINC000217368886	241246229	/nfs/dbraw/zinc/24/62/29/241246229.db2.gz	ZPAHDCZSKKJOSG-GOSISDBHSA-N	1	1	348.450	2.977	50	70		EFIAMO
Cc1nc2ccc(CNC(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)cc2[nH]1	ZINC000217368886	241246234	/nfs/dbraw/zinc/24/62/34/241246234.db2.gz	ZPAHDCZSKKJOSG-GOSISDBHSA-N	1	1	348.450	2.977	50	70		EFIAMO
Cc1nc2ccc(CNC(=O)C[N@H+]3CC[C@@H](c4ccccc4)C3)cc2[nH]1	ZINC000217368886	241246239	/nfs/dbraw/zinc/24/62/39/241246239.db2.gz	ZPAHDCZSKKJOSG-GOSISDBHSA-N	1	1	348.450	2.977	50	70		EFIAMO
O[C@H](c1cc2n(n1)CCC[N@@H+](CCc1ccccn1)C2)c1ccccc1	ZINC000217905183	241283339	/nfs/dbraw/zinc/28/33/39/241283339.db2.gz	WUFYCTAWTVGDEP-NRFANRHFSA-N	1	1	348.450	2.808	50	70		EFIAMO
CC(C)CCc1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)[nH]n1	ZINC000217715335	534966215	/nfs/dbraw/zinc/96/62/15/534966215.db2.gz	ODADKPKOSPDBQD-MAUKXSAKSA-N	1	1	332.492	2.993	50	70	biogenic	EFIAMO
O=C(CCOc1ccccc1)N[C@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000218413995	241322028	/nfs/dbraw/zinc/32/20/28/241322028.db2.gz	HLBXGWZEGRFORK-SFHVURJKSA-N	1	1	339.439	2.631	50	70		EFIAMO
O=C(CCOc1ccccc1)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000218413995	241322033	/nfs/dbraw/zinc/32/20/33/241322033.db2.gz	HLBXGWZEGRFORK-SFHVURJKSA-N	1	1	339.439	2.631	50	70		EFIAMO
O=C(CCc1cc(Cl)no1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217852726	241279511	/nfs/dbraw/zinc/27/95/11/241279511.db2.gz	NPMQPPQFHYFFTO-GXTWGEPZSA-N	1	1	325.840	2.641	50	70	biogenic	EFIAMO
Cc1ccc(O[C@H]2COCC[C@H]2NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1	ZINC000218385218	241320037	/nfs/dbraw/zinc/32/00/37/241320037.db2.gz	MSLYKHZMDINKMI-MSOLQXFVSA-N	1	1	347.503	2.825	50	70		EFIAMO
CCCNc1ncc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1	ZINC000216917997	535206876	/nfs/dbraw/zinc/20/68/76/535206876.db2.gz	VCDBPLYCBCSKPG-GOSISDBHSA-N	1	1	325.460	2.787	50	70		EFIAMO
CC(C)Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n(C)n1	ZINC000217695788	535336301	/nfs/dbraw/zinc/33/63/01/535336301.db2.gz	NYWXNLZRXUUNNZ-DOTOQJQBSA-N	1	1	332.492	2.613	50	70	biogenic	EFIAMO
O=C(c1ccccc1OC(F)(F)C(F)F)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000218445979	241321466	/nfs/dbraw/zinc/32/14/66/241321466.db2.gz	OABOELXKDKXXNH-LLVKDONJSA-N	1	1	346.324	2.844	50	70		EFIAMO
OCc1cc2n(n1)CCC[N@H+](Cc1c[nH]nc1C1CCCCC1)C2	ZINC000217667981	241268033	/nfs/dbraw/zinc/26/80/33/241268033.db2.gz	AZVYOAWAENKFLW-UHFFFAOYSA-N	1	1	329.448	2.552	50	70		EFIAMO
OCc1cc2n(n1)CCC[N@@H+](Cc1c[nH]nc1C1CCCCC1)C2	ZINC000217667981	241268037	/nfs/dbraw/zinc/26/80/37/241268037.db2.gz	AZVYOAWAENKFLW-UHFFFAOYSA-N	1	1	329.448	2.552	50	70		EFIAMO
CC(C)c1[nH+]ccn1CCCNC(=O)[C@@H]1CCc2ccccc2O1	ZINC000218746270	534916859	/nfs/dbraw/zinc/91/68/59/534916859.db2.gz	CVCPQPFFFYCXCH-KRWDZBQOSA-N	1	1	327.428	2.907	50	70		EFIAMO
Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)n1	ZINC000217544691	241257537	/nfs/dbraw/zinc/25/75/37/241257537.db2.gz	MYKQAMMGPSUKLI-QWHZDKJVSA-N	1	1	329.419	2.831	50	70		EFIAMO
Cn1c(CN2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)cc2cc(F)ccc21	ZINC000217573540	241261459	/nfs/dbraw/zinc/26/14/59/241261459.db2.gz	HCBLPAARALVTAV-SFHVURJKSA-N	1	1	345.462	2.596	50	70		EFIAMO
O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnc(-c3ccc(Cl)cc3)nc1)C2	ZINC000217072815	241236594	/nfs/dbraw/zinc/23/65/94/241236594.db2.gz	OERXMKIZYBBEKX-QLPKVWCKSA-N	1	1	329.831	3.000	50	70		EFIAMO
O=C(CCOc1ccccc1)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000218413922	241322672	/nfs/dbraw/zinc/32/26/72/241322672.db2.gz	HLBXGWZEGRFORK-GOSISDBHSA-N	1	1	339.439	2.631	50	70		EFIAMO
O=C(CCOc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000218413922	241322679	/nfs/dbraw/zinc/32/26/79/241322679.db2.gz	HLBXGWZEGRFORK-GOSISDBHSA-N	1	1	339.439	2.631	50	70		EFIAMO
Cc1nc(C2CC(O)C2)cc(N2CCC[N@H+](C3CCCCC3)CC2)n1	ZINC000218686974	241339151	/nfs/dbraw/zinc/33/91/51/241339151.db2.gz	XTUZJIXXXQCVCE-UHFFFAOYSA-N	1	1	344.503	2.868	50	70		EFIAMO
CC(C)Cn1cncc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000218339644	534920960	/nfs/dbraw/zinc/92/09/60/534920960.db2.gz	CFVVUXPJYHCVFA-IBGZPJMESA-N	1	1	340.471	2.820	50	70		EFIAMO
COC(=O)C[C@@H](c1oc(C[NH+]2CCCCC2)cc(=O)c1O)C(C)C	ZINC000217772055	536313111	/nfs/dbraw/zinc/31/31/11/536313111.db2.gz	VGINAJPXGXYONA-CQSZACIVSA-N	1	1	337.416	2.634	50	70	biogenic	EFIAMO
COc1cc2c(cc1C[N@@H+]1CCCn3nc([C@@H](C)O)cc3C1)CCC2	ZINC000217681386	241268744	/nfs/dbraw/zinc/26/87/44/241268744.db2.gz	FLUMLCGGJXCKHG-CQSZACIVSA-N	1	1	341.455	2.840	50	70		EFIAMO
COc1cc2c(cc1C[N@H+]1CCCn3nc([C@@H](C)O)cc3C1)CCC2	ZINC000217681386	241268750	/nfs/dbraw/zinc/26/87/50/241268750.db2.gz	FLUMLCGGJXCKHG-CQSZACIVSA-N	1	1	341.455	2.840	50	70		EFIAMO
CN(C)c1ccc(C[N@@H+](C)CC2(N3CCOCC3)CCCCC2)cn1	ZINC000217126758	241236151	/nfs/dbraw/zinc/23/61/51/241236151.db2.gz	DQYPUQZMJKXQNS-UHFFFAOYSA-N	1	1	346.519	2.615	50	70		EFIAMO
CN(Cc1ccc(N(C)C)nc1)CC1([NH+]2CCOCC2)CCCCC1	ZINC000217126758	241236155	/nfs/dbraw/zinc/23/61/55/241236155.db2.gz	DQYPUQZMJKXQNS-UHFFFAOYSA-N	1	1	346.519	2.615	50	70		EFIAMO
Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2O	ZINC000217212601	241240934	/nfs/dbraw/zinc/24/09/34/241240934.db2.gz	XKFYSVVTLLHVCR-QWHZDKJVSA-N	1	1	329.419	2.831	50	70		EFIAMO
CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnc(NCc3ccccc3)nc1)C2	ZINC000216991511	241230522	/nfs/dbraw/zinc/23/05/22/241230522.db2.gz	CGEYYFYZTCBWRF-BWTSREIZSA-N	1	1	338.455	2.946	50	70		EFIAMO
Cc1nc2cc(CNC(=O)C[N@H+]3CC[C@H](c4ccccc4)C3)ccc2[nH]1	ZINC000217368965	241245721	/nfs/dbraw/zinc/24/57/21/241245721.db2.gz	ZPAHDCZSKKJOSG-SFHVURJKSA-N	1	1	348.450	2.977	50	70		EFIAMO
Cc1nc2ccc(CNC(=O)C[N@@H+]3CC[C@H](c4ccccc4)C3)cc2[nH]1	ZINC000217368965	241245729	/nfs/dbraw/zinc/24/57/29/241245729.db2.gz	ZPAHDCZSKKJOSG-SFHVURJKSA-N	1	1	348.450	2.977	50	70		EFIAMO
Cc1nc2ccc(CNC(=O)C[N@H+]3CC[C@H](c4ccccc4)C3)cc2[nH]1	ZINC000217368965	241245736	/nfs/dbraw/zinc/24/57/36/241245736.db2.gz	ZPAHDCZSKKJOSG-SFHVURJKSA-N	1	1	348.450	2.977	50	70		EFIAMO
Cn1nc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217641933	241265418	/nfs/dbraw/zinc/26/54/18/241265418.db2.gz	YUYQDYJLDFVTOD-LSDHHAIUSA-N	1	1	332.492	2.712	50	70	biogenic	EFIAMO
CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(OCCn3ccnc3)cc1)C2	ZINC000217134016	241236606	/nfs/dbraw/zinc/23/66/06/241236606.db2.gz	MLLINAUIUUUOTI-RUYXUALKSA-N	1	1	341.455	2.819	50	70		EFIAMO
CC1=C(C[N@@H+]2CCCn3nc([C@H](O)CO)cc3C2)C(C)(C)CCC1	ZINC000217365192	535238355	/nfs/dbraw/zinc/23/83/55/535238355.db2.gz	HWTHJNZCKRYQOE-GOSISDBHSA-N	1	1	333.476	2.641	50	70		EFIAMO
CC1=C(C[N@H+]2CCCn3nc([C@H](O)CO)cc3C2)C(C)(C)CCC1	ZINC000217365192	535238362	/nfs/dbraw/zinc/23/83/62/535238362.db2.gz	HWTHJNZCKRYQOE-GOSISDBHSA-N	1	1	333.476	2.641	50	70		EFIAMO
CC1=C(C[N@@H+]2CCCn3nc([C@@H](O)CO)cc3C2)C(C)(C)CCC1	ZINC000217365114	535239019	/nfs/dbraw/zinc/23/90/19/535239019.db2.gz	HWTHJNZCKRYQOE-SFHVURJKSA-N	1	1	333.476	2.641	50	70		EFIAMO
CC1=C(C[N@H+]2CCCn3nc([C@@H](O)CO)cc3C2)C(C)(C)CCC1	ZINC000217365114	535239023	/nfs/dbraw/zinc/23/90/23/535239023.db2.gz	HWTHJNZCKRYQOE-SFHVURJKSA-N	1	1	333.476	2.641	50	70		EFIAMO
COc1cc2c(cc1C[N@@H+]1CCCn3nc([C@H](C)O)cc3C1)CCC2	ZINC000217681472	241267909	/nfs/dbraw/zinc/26/79/09/241267909.db2.gz	FLUMLCGGJXCKHG-AWEZNQCLSA-N	1	1	341.455	2.840	50	70		EFIAMO
COc1cc2c(cc1C[N@H+]1CCCn3nc([C@H](C)O)cc3C1)CCC2	ZINC000217681472	241267915	/nfs/dbraw/zinc/26/79/15/241267915.db2.gz	FLUMLCGGJXCKHG-AWEZNQCLSA-N	1	1	341.455	2.840	50	70		EFIAMO
COC(=O)C[C@H](c1oc(C[NH+]2CCCCC2)cc(=O)c1O)C(C)C	ZINC000217772147	241274969	/nfs/dbraw/zinc/27/49/69/241274969.db2.gz	VGINAJPXGXYONA-AWEZNQCLSA-N	1	1	337.416	2.634	50	70	biogenic	EFIAMO
Cc1oncc1C(=O)N1C[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000216930048	241224911	/nfs/dbraw/zinc/22/49/11/241224911.db2.gz	MZFNPIVEMQLRTN-SJORKVTESA-N	1	1	325.412	2.720	50	70		EFIAMO
O=C(c1ccccc1OC(F)(F)C(F)F)N1CC[N@H+]2CCC[C@H]2C1	ZINC000218446069	241322349	/nfs/dbraw/zinc/32/23/49/241322349.db2.gz	OABOELXKDKXXNH-NSHDSACASA-N	1	1	346.324	2.844	50	70		EFIAMO