smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1-c1cc(N2CCC(C(=O)Nc3ccccc3C#N)CC2)[nH+]cn1	ZINC000070637910	205023690	/nfs/dbraw/zinc/02/36/90/205023690.db2.gz	KLUPRPFOCNZLFC-UHFFFAOYSA-N	2	2	387.447	2.698	50	30		GFEALP
N#Cc1ccccc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1	ZINC000082146499	208083729	/nfs/dbraw/zinc/08/37/29/208083729.db2.gz	GWSSHLGDLAIIAH-QFIPXVFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1	ZINC000082146499	208083732	/nfs/dbraw/zinc/08/37/32/208083732.db2.gz	GWSSHLGDLAIIAH-QFIPXVFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccccc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1	ZINC000082146499	208083738	/nfs/dbraw/zinc/08/37/38/208083738.db2.gz	GWSSHLGDLAIIAH-QFIPXVFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1	ZINC000082146499	208083743	/nfs/dbraw/zinc/08/37/43/208083743.db2.gz	GWSSHLGDLAIIAH-QFIPXVFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1	ZINC000071403937	570683126	/nfs/dbraw/zinc/68/31/26/570683126.db2.gz	LDRYBVOSBKZOON-NRFANRHFSA-N	2	2	380.536	2.857	50	30		GFEALP
N#Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1	ZINC000071403937	570683128	/nfs/dbraw/zinc/68/31/28/570683128.db2.gz	LDRYBVOSBKZOON-NRFANRHFSA-N	2	2	380.536	2.857	50	30		GFEALP
N#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1	ZINC000071415628	570692655	/nfs/dbraw/zinc/69/26/55/570692655.db2.gz	QBMCAAVQXDNPDM-OAQYLSRUSA-N	2	2	380.536	2.857	50	30		GFEALP
N#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1	ZINC000071415628	570692660	/nfs/dbraw/zinc/69/26/60/570692660.db2.gz	QBMCAAVQXDNPDM-OAQYLSRUSA-N	2	2	380.536	2.857	50	30		GFEALP
CNC(=O)c1[nH]cnc1NC(Nc1ccccc1)=[NH+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000004635258	209121586	/nfs/dbraw/zinc/12/15/86/209121586.db2.gz	YAWSBZGBFMWVIM-UHFFFAOYSA-N	2	2	397.527	2.768	50	30		GFEALP
N#Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1	ZINC000092002141	211212372	/nfs/dbraw/zinc/21/23/72/211212372.db2.gz	LFAYEBORKOONGJ-QFIPXVFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1	ZINC000092002141	211212374	/nfs/dbraw/zinc/21/23/74/211212374.db2.gz	LFAYEBORKOONGJ-QFIPXVFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1	ZINC000092002141	211212378	/nfs/dbraw/zinc/21/23/78/211212378.db2.gz	LFAYEBORKOONGJ-QFIPXVFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1	ZINC000092002141	211212379	/nfs/dbraw/zinc/21/23/79/211212379.db2.gz	LFAYEBORKOONGJ-QFIPXVFZSA-N	2	2	377.492	2.729	50	30		GFEALP
C#CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1OC	ZINC000025365126	518317250	/nfs/dbraw/zinc/31/72/50/518317250.db2.gz	YXRFFJHORJXMNO-QGZVFWFLSA-N	2	2	380.916	2.807	50	30		GFEALP
C#CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1OC	ZINC000025365126	518317254	/nfs/dbraw/zinc/31/72/54/518317254.db2.gz	YXRFFJHORJXMNO-QGZVFWFLSA-N	2	2	380.916	2.807	50	30		GFEALP
O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000077197635	527546594	/nfs/dbraw/zinc/54/65/94/527546594.db2.gz	IPBFAGBAFMYOLN-UHFFFAOYSA-N	2	2	384.483	2.723	50	30		GFEALP
O=C(NCC#CC[N@H+]1CCc2ccccc2C1)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000077197635	527546602	/nfs/dbraw/zinc/54/66/02/527546602.db2.gz	IPBFAGBAFMYOLN-UHFFFAOYSA-N	2	2	384.483	2.723	50	30		GFEALP
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000005319772	204125237	/nfs/dbraw/zinc/12/52/37/204125237.db2.gz	QMICYSYVMUDFMM-CPNJWEJPSA-N	2	2	384.396	2.701	50	30		GFEALP
N#CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1	ZINC000071767897	526440478	/nfs/dbraw/zinc/44/04/78/526440478.db2.gz	HBVXDMMFOOFDSZ-OAQYLSRUSA-N	2	2	395.551	2.520	50	30		GFEALP
N#CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1	ZINC000071767897	526440481	/nfs/dbraw/zinc/44/04/81/526440481.db2.gz	HBVXDMMFOOFDSZ-OAQYLSRUSA-N	2	2	395.551	2.520	50	30		GFEALP
CCNC(=S)[NH+]=C(Nc1nc(C)cc(C)n1)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000004705285	204066353	/nfs/dbraw/zinc/06/63/53/204066353.db2.gz	WASYTRBHSGEXCX-UHFFFAOYSA-N	2	2	391.589	2.655	50	30		GFEALP
N#CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1	ZINC000071767896	526440329	/nfs/dbraw/zinc/44/03/29/526440329.db2.gz	HBVXDMMFOOFDSZ-NRFANRHFSA-N	2	2	395.551	2.520	50	30		GFEALP
N#CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1	ZINC000071767896	526440333	/nfs/dbraw/zinc/44/03/33/526440333.db2.gz	HBVXDMMFOOFDSZ-NRFANRHFSA-N	2	2	395.551	2.520	50	30		GFEALP
CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000096142174	208271100	/nfs/dbraw/zinc/27/11/00/208271100.db2.gz	COEIKBDAUFEFIE-UHFFFAOYSA-N	2	2	375.480	2.794	50	30		GFEALP
C=CCOc1c(Br)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1OC	ZINC000002861474	519002079	/nfs/dbraw/zinc/00/20/79/519002079.db2.gz	KQKBJFXVNUEEDO-UHFFFAOYSA-N	2	2	399.329	2.834	50	30		GFEALP
N#Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1	ZINC000071403938	570685160	/nfs/dbraw/zinc/68/51/60/570685160.db2.gz	LDRYBVOSBKZOON-OAQYLSRUSA-N	2	2	380.536	2.857	50	30		GFEALP
N#Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1	ZINC000071403938	570685165	/nfs/dbraw/zinc/68/51/65/570685165.db2.gz	LDRYBVOSBKZOON-OAQYLSRUSA-N	2	2	380.536	2.857	50	30		GFEALP
C=CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1	ZINC000095531093	518859473	/nfs/dbraw/zinc/85/94/73/518859473.db2.gz	KOLPPEKEFZLHOS-FQEVSTJZSA-N	2	2	379.508	2.683	50	30		GFEALP
C=CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1	ZINC000095531093	518859482	/nfs/dbraw/zinc/85/94/82/518859482.db2.gz	KOLPPEKEFZLHOS-FQEVSTJZSA-N	2	2	379.508	2.683	50	30		GFEALP
N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1	ZINC000092002143	211212295	/nfs/dbraw/zinc/21/22/95/211212295.db2.gz	LFAYEBORKOONGJ-JOCHJYFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1	ZINC000092002143	211212300	/nfs/dbraw/zinc/21/23/00/211212300.db2.gz	LFAYEBORKOONGJ-JOCHJYFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1	ZINC000092002143	211212302	/nfs/dbraw/zinc/21/23/02/211212302.db2.gz	LFAYEBORKOONGJ-JOCHJYFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1	ZINC000092002143	211212306	/nfs/dbraw/zinc/21/23/06/211212306.db2.gz	LFAYEBORKOONGJ-JOCHJYFZSA-N	2	2	377.492	2.729	50	30		GFEALP
C#CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1OC	ZINC000025365129	518317546	/nfs/dbraw/zinc/31/75/46/518317546.db2.gz	YXRFFJHORJXMNO-KRWDZBQOSA-N	2	2	380.916	2.807	50	30		GFEALP
C#CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1OC	ZINC000025365129	518317549	/nfs/dbraw/zinc/31/75/49/518317549.db2.gz	YXRFFJHORJXMNO-KRWDZBQOSA-N	2	2	380.916	2.807	50	30		GFEALP
C=C(Cl)Cn1c2cc(C)ccc2cc(C[NH2+]CCC[NH+]2CCOCC2)c1=O	ZINC000020166048	570283205	/nfs/dbraw/zinc/28/32/05/570283205.db2.gz	AUHARPOFDXVZCF-UHFFFAOYSA-N	2	2	389.927	2.874	50	30		GFEALP
C=C(Cl)Cn1c(=O)c(C[NH2+]CCC[NH+]2CCOCC2)cc2ccc(F)cc21	ZINC000014985495	518653511	/nfs/dbraw/zinc/65/35/11/518653511.db2.gz	DKFUNYFLBIAXSW-UHFFFAOYSA-N	2	2	393.890	2.705	50	30		GFEALP
N#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1	ZINC000071415627	222184273	/nfs/dbraw/zinc/18/42/73/222184273.db2.gz	QBMCAAVQXDNPDM-NRFANRHFSA-N	2	2	380.536	2.857	50	30		GFEALP
N#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1	ZINC000071415627	222184277	/nfs/dbraw/zinc/18/42/77/222184277.db2.gz	QBMCAAVQXDNPDM-NRFANRHFSA-N	2	2	380.536	2.857	50	30		GFEALP
CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000096139945	222387171	/nfs/dbraw/zinc/38/71/71/222387171.db2.gz	YJWSRCHIBOPKQK-UHFFFAOYSA-N	2	2	375.480	2.794	50	30		GFEALP
N#Cc1ccccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1	ZINC000082146501	222311169	/nfs/dbraw/zinc/31/11/69/222311169.db2.gz	GWSSHLGDLAIIAH-JOCHJYFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1	ZINC000082146501	222311173	/nfs/dbraw/zinc/31/11/73/222311173.db2.gz	GWSSHLGDLAIIAH-JOCHJYFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1	ZINC000082146501	222311176	/nfs/dbraw/zinc/31/11/76/222311176.db2.gz	GWSSHLGDLAIIAH-JOCHJYFZSA-N	2	2	377.492	2.729	50	30		GFEALP
N#Cc1ccccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1	ZINC000082146501	222311179	/nfs/dbraw/zinc/31/11/79/222311179.db2.gz	GWSSHLGDLAIIAH-JOCHJYFZSA-N	2	2	377.492	2.729	50	30		GFEALP