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[N@@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)s1	ZINC000217784417	206366263	/nfs/dbraw/zinc/36/62/63/206366263.db2.gz	VBDYQZMDVLZYDP-FQEVSTJZSA-N	1	1	353.491	3.741	50	70		FHIAMO
Cc1ccc(C[N@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)s1	ZINC000217784417	206366267	/nfs/dbraw/zinc/36/62/67/206366267.db2.gz	VBDYQZMDVLZYDP-FQEVSTJZSA-N	1	1	353.491	3.741	50	70		FHIAMO
CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccc3c(C)c(C)[nH]c31)C2	ZINC000217186354	206362319	/nfs/dbraw/zinc/36/23/19/206362319.db2.gz	SPRGGCIRCWYXGS-HXUWFJFHSA-N	1	1	352.482	3.831	50	70		FHIAMO
CC(C)Oc1ccc(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1	ZINC000217794594	519778978	/nfs/dbraw/zinc/77/89/78/519778978.db2.gz	AALWIBVCVDKFBI-PZJWPPBQSA-N	1	1	358.526	3.787	50	70		FHIAMO
Cc1ccsc1C[N@@H+]1CCCn2nc([C@H](O)c3ccccc3)cc2C1	ZINC000217813598	206365404	/nfs/dbraw/zinc/36/54/04/206365404.db2.gz	CYIXYNQNNBLROS-HXUWFJFHSA-N	1	1	353.491	3.741	50	70		FHIAMO
Cc1ccsc1C[N@H+]1CCCn2nc([C@H](O)c3ccccc3)cc2C1	ZINC000217813598	206365408	/nfs/dbraw/zinc/36/54/08/206365408.db2.gz	CYIXYNQNNBLROS-HXUWFJFHSA-N	1	1	353.491	3.741	50	70		FHIAMO
Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2cc(F)ccc2n1	ZINC000217654163	206364557	/nfs/dbraw/zinc/36/45/57/206364557.db2.gz	IWGOGVQXAIAKHJ-MGPUTAFESA-N	1	1	355.457	3.677	50	70		FHIAMO
Cn1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2c1cccc2Cl	ZINC000217726824	206365797	/nfs/dbraw/zinc/36/57/97/206365797.db2.gz	VYEVFIWPVHADNM-WMLDXEAASA-N	1	1	359.901	3.826	50	70		FHIAMO
COc1ccccc1-c1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1	ZINC000218131266	206367365	/nfs/dbraw/zinc/36/73/65/206367365.db2.gz	ZDHAXGKEVLFAFO-IBGZPJMESA-N	1	1	350.462	3.673	50	70		FHIAMO
CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCCCC2)cc1	ZINC000218405772	519879358	/nfs/dbraw/zinc/87/93/58/519879358.db2.gz	DEEVPJIOWAJFCS-UHFFFAOYSA-N	1	1	354.498	3.817	50	70		FHIAMO
CC[C@H](C)Oc1ccccc1CN1CCC(CO)(C[NH+]2CCCC2)CC1	ZINC000218597282	206371309	/nfs/dbraw/zinc/37/13/09/206371309.db2.gz	JRRVPGXLQSFKQA-IBGZPJMESA-N	1	1	360.542	3.534	50	70		FHIAMO
CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(C)c2ncccc12	ZINC000217426252	206362699	/nfs/dbraw/zinc/36/26/99/206362699.db2.gz	ZHDDXXWEJAZVGG-NRFANRHFSA-N	1	1	359.473	3.606	50	70		FHIAMO
CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(C)c2ncccc12	ZINC000217426252	206362706	/nfs/dbraw/zinc/36/27/06/206362706.db2.gz	ZHDDXXWEJAZVGG-NRFANRHFSA-N	1	1	359.473	3.606	50	70		FHIAMO
O=C(NC[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(OC(F)F)c1	ZINC000218490147	526612549	/nfs/dbraw/zinc/61/25/49/526612549.db2.gz	ACUHSOZPPGNYDW-CQSZACIVSA-N	1	1	352.425	3.672	50	70		FHIAMO
O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-c2ccccc2Cl)n[nH]1	ZINC000217655869	206363952	/nfs/dbraw/zinc/36/39/52/206363952.db2.gz	SERYUISYWJSLJX-IFXJQAMLSA-N	1	1	372.900	3.724	50	70		FHIAMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(OCc2ccccc2F)cc1	ZINC000217200950	523044815	/nfs/dbraw/zinc/04/48/15/523044815.db2.gz	DHKVGZQTQZMXPQ-QGZVFWFLSA-N	1	1	370.468	3.819	50	70		FHIAMO
CC(C)c1[nH+]ccn1CCCNC(=O)Cc1ccccc1C(F)(F)F	ZINC000218199041	519879806	/nfs/dbraw/zinc/87/98/06/519879806.db2.gz	CVUXZVWVNMYPPA-UHFFFAOYSA-N	1	1	353.388	3.774	50	70		FHIAMO
COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)ccc1OCc1ccc(C)cc1	ZINC000217782510	522405342	/nfs/dbraw/zinc/40/53/42/522405342.db2.gz	OGBICPICJAEBPH-NPHXMPSESA-N	1	1	367.489	3.785	50	70		FHIAMO
CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(OCc2ccccc2F)cc1	ZINC000217868627	523104888	/nfs/dbraw/zinc/10/48/88/523104888.db2.gz	XQCGIVRUJKXECH-LJQANCHMSA-N	1	1	370.468	3.961	50	70		FHIAMO
CC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccc3c(C)c(C)[nH]c31)C2	ZINC000217186360	568158445	/nfs/dbraw/zinc/15/84/45/568158445.db2.gz	SPRGGCIRCWYXGS-FQEVSTJZSA-N	1	1	352.482	3.831	50	70		FHIAMO
CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(C)c2ncccc12	ZINC000217426160	568183202	/nfs/dbraw/zinc/18/32/02/568183202.db2.gz	ZHDDXXWEJAZVGG-OAQYLSRUSA-N	1	1	359.473	3.606	50	70		FHIAMO
CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(C)c2ncccc12	ZINC000217426160	568183203	/nfs/dbraw/zinc/18/32/03/568183203.db2.gz	ZHDDXXWEJAZVGG-OAQYLSRUSA-N	1	1	359.473	3.606	50	70		FHIAMO
COc1cc(Cl)cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1OC	ZINC000218777151	568251215	/nfs/dbraw/zinc/25/12/15/568251215.db2.gz	FDQHYJTVTQUNIU-UHFFFAOYSA-N	1	1	361.869	3.841	50	70		FHIAMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(OCc2ccccc2F)cc1	ZINC000217200957	523116542	/nfs/dbraw/zinc/11/65/42/523116542.db2.gz	DHKVGZQTQZMXPQ-KRWDZBQOSA-N	1	1	370.468	3.819	50	70		FHIAMO
O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(Cl)cc1	ZINC000217830097	571350960	/nfs/dbraw/zinc/35/09/60/571350960.db2.gz	NRDGTPOHGOVPBK-MAUKXSAKSA-N	1	1	372.900	3.724	50	70		FHIAMO
Cc1ccsc1C[N@@H+]1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	ZINC000217813512	568205090	/nfs/dbraw/zinc/20/50/90/568205090.db2.gz	CYIXYNQNNBLROS-FQEVSTJZSA-N	1	1	353.491	3.741	50	70		FHIAMO
Cc1ccsc1C[N@H+]1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	ZINC000217813512	568205091	/nfs/dbraw/zinc/20/50/91/568205091.db2.gz	CYIXYNQNNBLROS-FQEVSTJZSA-N	1	1	353.491	3.741	50	70		FHIAMO
Cc1[nH+]ccn1CCC(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1	ZINC000218007267	568214388	/nfs/dbraw/zinc/21/43/88/568214388.db2.gz	YCEZHOAYGCPSEJ-LJQANCHMSA-N	1	1	354.841	3.536	50	70		FHIAMO
CC[C@@H](C)Oc1ccccc1CN1CCC(CO)(C[NH+]2CCCC2)CC1	ZINC000218597204	568241723	/nfs/dbraw/zinc/24/17/23/568241723.db2.gz	JRRVPGXLQSFKQA-LJQANCHMSA-N	1	1	360.542	3.534	50	70		FHIAMO
Cc1ccc(N2CC[N@H+](Cc3cnc(N4CCCC4)s3)[C@@H](C)C2)cc1	ZINC000216679789	132271528	/nfs/dbraw/zinc/27/15/28/132271528.db2.gz	GXJVHLZUWJPEOV-KRWDZBQOSA-N	1	1	356.539	3.762	50	70		FHIAMO
Cc1ccc(N2CC[N@@H+](Cc3cnc(N4CCCC4)s3)[C@@H](C)C2)cc1	ZINC000216679789	132271529	/nfs/dbraw/zinc/27/15/29/132271529.db2.gz	GXJVHLZUWJPEOV-KRWDZBQOSA-N	1	1	356.539	3.762	50	70		FHIAMO
CC1(C)CCc2cc(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2O1	ZINC000217720057	571350204	/nfs/dbraw/zinc/35/02/04/571350204.db2.gz	SMJRAVVDPPRKMS-VQTJNVASSA-N	1	1	370.537	3.713	50	70		FHIAMO
O=C(NC[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(OC(F)F)c1	ZINC000218490075	526537884	/nfs/dbraw/zinc/53/78/84/526537884.db2.gz	ACUHSOZPPGNYDW-AWEZNQCLSA-N	1	1	352.425	3.672	50	70		FHIAMO
Cc1ccc(C[N@@H+]2CCCn3nc([C@H](O)c4ccccc4)cc3C2)s1	ZINC000217784513	568203516	/nfs/dbraw/zinc/20/35/16/568203516.db2.gz	VBDYQZMDVLZYDP-HXUWFJFHSA-N	1	1	353.491	3.741	50	70		FHIAMO
Cc1ccc(C[N@H+]2CCCn3nc([C@H](O)c4ccccc4)cc3C2)s1	ZINC000217784513	568203517	/nfs/dbraw/zinc/20/35/17/568203517.db2.gz	VBDYQZMDVLZYDP-HXUWFJFHSA-N	1	1	353.491	3.741	50	70		FHIAMO
Cc1cc(CN(C)Cc2cnccn2)c(C)c(C[N@@H+]2CCC[C@@H](C)C2)c1	ZINC000217726220	524664994	/nfs/dbraw/zinc/66/49/94/524664994.db2.gz	FERXMYZZXGZOME-QGZVFWFLSA-N	1	1	352.526	3.957	50	70		FHIAMO
Cc1nc(CN(C)Cc2cc(C)cc(C[N@@H+]3CCC[C@@H](C)C3)c2C)no1	ZINC000217191343	526840451	/nfs/dbraw/zinc/84/04/51/526840451.db2.gz	ZQICCZCQZKJGSA-OAHLLOKOSA-N	1	1	356.514	3.859	50	70		FHIAMO
Cc1[nH+]ccn1CCC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1	ZINC000218007349	568214343	/nfs/dbraw/zinc/21/43/43/568214343.db2.gz	YCEZHOAYGCPSEJ-IBGZPJMESA-N	1	1	354.841	3.536	50	70		FHIAMO
CCCCSc1ncc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1	ZINC000217032599	520978422	/nfs/dbraw/zinc/97/84/22/520978422.db2.gz	OGHKZBBEYCMKJA-LJQANCHMSA-N	1	1	356.539	3.858	50	70		FHIAMO
CN(C[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(OCc2ccccc2F)cc1	ZINC000217868540	523025891	/nfs/dbraw/zinc/02/58/91/523025891.db2.gz	XQCGIVRUJKXECH-IBGZPJMESA-N	1	1	370.468	3.961	50	70		FHIAMO
CN(Cc1ccon1)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000217595924	523481466	/nfs/dbraw/zinc/48/14/66/523481466.db2.gz	HAYSJGJAJVJAOE-UHFFFAOYSA-N	1	1	361.445	3.505	50	70		FHIAMO