smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+](C)C	ZINC000160652213	351971857	/nfs/dbraw/zinc/97/18/57/351971857.db2.gz	RFHZMMHGQCXVHU-RYUDHWBXSA-N	2	0	257.378	-0.101	20	70		CBIDRP
O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CC[NH2+]CC1	ZINC000160329781	544474112	/nfs/dbraw/zinc/47/41/12/544474112.db2.gz	PCXRLYSMQCAZCN-CHWSQXEVSA-N	2	0	294.399	-0.591	20	70		CBIDRP
CN(C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217043163	329316534	/nfs/dbraw/zinc/31/65/34/329316534.db2.gz	YEKGKFFTRYWWNN-STQMWFEESA-N	2	0	296.415	-0.345	20	70		CBIDRP
C[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1	ZINC000161273548	329922740	/nfs/dbraw/zinc/92/27/40/329922740.db2.gz	YPXCXQCSUUQNCY-IUODEOHRSA-N	2	0	296.415	-0.310	20	70		CBIDRP
C[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1	ZINC000161273388	329922797	/nfs/dbraw/zinc/92/27/97/329922797.db2.gz	YPXCXQCSUUQNCY-DOMZBBRYSA-N	2	0	296.415	-0.310	20	70		CBIDRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217485939	220236272	/nfs/dbraw/zinc/23/62/72/220236272.db2.gz	WAQJXYMAYJBAAE-OBJOEFQTSA-N	2	0	296.415	-0.171	20	70		CBIDRP
Cn1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(=O)n(C)c1=O	ZINC000217625927	544490053	/nfs/dbraw/zinc/49/00/53/544490053.db2.gz	YOKNKDBJJXTBLR-STQMWFEESA-N	2	0	292.383	-0.200	20	70		CBIDRP
CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217032561	329316661	/nfs/dbraw/zinc/31/66/61/329316661.db2.gz	RNJUPAQNRBZZNL-RYUDHWBXSA-N	2	0	282.388	-0.687	20	70		CBIDRP
C[NH+](C)CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000217039399	220235906	/nfs/dbraw/zinc/23/59/06/220235906.db2.gz	HHRVFNLOUYOUID-QWHCGFSZSA-N	2	0	296.415	-0.345	20	70		CBIDRP
CC[NH2+]CC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1	ZINC000161124148	519914949	/nfs/dbraw/zinc/91/49/49/519914949.db2.gz	FFPWNPARJGVLGZ-GFCCVEGCSA-N	2	0	255.362	-0.177	20	70		CBIDRP
CS(=O)(=O)N[C@@H]1CCC[N@H+](CCn2ccnc2)C1	ZINC000159790982	544473237	/nfs/dbraw/zinc/47/32/37/544473237.db2.gz	DQCADFHGXBPLGJ-LLVKDONJSA-N	2	0	272.374	-0.103	20	70		CBIDRP
O=C(NC[C@@H]1CCCN([C@@H]2CCOC2=O)C1)[C@H]1CCC[NH2+]1	ZINC000217046025	582127895	/nfs/dbraw/zinc/12/78/95/582127895.db2.gz	CIPVYKKXZCJWFL-YNEHKIRRSA-N	2	0	295.383	-0.118	20	70		CBIDRP
CCN1CCO[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1	ZINC000160158069	351969317	/nfs/dbraw/zinc/96/93/17/351969317.db2.gz	UXECPEQMTOWLEO-UONOGXRCSA-N	2	0	299.415	-0.330	20	70		CBIDRP
CC[NH+]1CCN(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1	ZINC000159365129	327174679	/nfs/dbraw/zinc/17/46/79/327174679.db2.gz	STAXICIOMCGJDL-OKILXGFUSA-N	2	0	280.416	-0.023	20	70		CBIDRP
CO[C@@]1(C[NH2+]CC(=O)N2CCN(C)CC2)CCOC1	ZINC000160274003	351969372	/nfs/dbraw/zinc/96/93/72/351969372.db2.gz	CZPNCXADQVDEFZ-CYBMUJFWSA-N	2	0	271.361	-0.845	20	70		CBIDRP
CCN(CC[NH2+]C[C@H](O)CN1CCOCC1)C1CC1	ZINC000218467708	372868893	/nfs/dbraw/zinc/86/88/93/372868893.db2.gz	JPFWJYASSWFULD-AWEZNQCLSA-N	2	0	271.405	-0.247	20	70		CBIDRP
C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000217707664	372869084	/nfs/dbraw/zinc/86/90/84/372869084.db2.gz	GKSVFZVTUAHXEK-QJPTWQEYSA-N	2	0	255.362	-0.300	20	70		CBIDRP
O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[NH2+]CC1	ZINC000160329642	544473460	/nfs/dbraw/zinc/47/34/60/544473460.db2.gz	PCXRLYSMQCAZCN-OLZOCXBDSA-N	2	0	294.399	-0.591	20	70		CBIDRP
C[NH+](C)C1(CNC(=O)c2cn(CC[NH3+])nn2)CCCC1	ZINC000160842968	544475061	/nfs/dbraw/zinc/47/50/61/544475061.db2.gz	BHHSQWLSODYVRU-UHFFFAOYSA-N	2	0	280.376	-0.159	20	70		CBIDRP
CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217032517	329316666	/nfs/dbraw/zinc/31/66/66/329316666.db2.gz	RNJUPAQNRBZZNL-NEPJUHHUSA-N	2	0	282.388	-0.687	20	70		CBIDRP
C[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1	ZINC000161273242	329922702	/nfs/dbraw/zinc/92/27/02/329922702.db2.gz	YPXCXQCSUUQNCY-SWLSCSKDSA-N	2	0	296.415	-0.310	20	70		CBIDRP
CCN1CCO[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1	ZINC000160157932	351969092	/nfs/dbraw/zinc/96/90/92/351969092.db2.gz	UXECPEQMTOWLEO-KBPBESRZSA-N	2	0	299.415	-0.330	20	70		CBIDRP
C[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1	ZINC000161273110	351974677	/nfs/dbraw/zinc/97/46/77/351974677.db2.gz	YPXCXQCSUUQNCY-WFASDCNBSA-N	2	0	296.415	-0.310	20	70		CBIDRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217485859	220236039	/nfs/dbraw/zinc/23/60/39/220236039.db2.gz	WAQJXYMAYJBAAE-DYEKYZERSA-N	2	0	296.415	-0.171	20	70		CBIDRP
O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)N1CC[NH2+]CC1	ZINC000160329516	544474170	/nfs/dbraw/zinc/47/41/70/544474170.db2.gz	PCXRLYSMQCAZCN-QWHCGFSZSA-N	2	0	294.399	-0.591	20	70		CBIDRP
O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)N1CC[NH2+]CC1	ZINC000160329378	544474258	/nfs/dbraw/zinc/47/42/58/544474258.db2.gz	PCXRLYSMQCAZCN-STQMWFEESA-N	2	0	294.399	-0.591	20	70		CBIDRP
C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1	ZINC000160640938	277042169	/nfs/dbraw/zinc/04/21/69/277042169.db2.gz	KEKXLJMALRGTSN-RYUDHWBXSA-N	2	0	282.388	-0.783	20	70		CBIDRP
C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C[NH+]1CCCC1	ZINC000217951239	277586028	/nfs/dbraw/zinc/58/60/28/277586028.db2.gz	QHQUOAUCUVXRAR-QJPTWQEYSA-N	2	0	255.362	-0.443	20	70		CBIDRP
O=C(NC[C@@H]1CCCN([C@@H]2CCOC2=O)C1)[C@@H]1CCC[NH2+]1	ZINC000217046062	582127891	/nfs/dbraw/zinc/12/78/91/582127891.db2.gz	CIPVYKKXZCJWFL-RWMBFGLXSA-N	2	0	295.383	-0.118	20	70		CBIDRP
CC[NH2+]CC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1	ZINC000161124032	519914861	/nfs/dbraw/zinc/91/48/61/519914861.db2.gz	FFPWNPARJGVLGZ-LBPRGKRZSA-N	2	0	255.362	-0.177	20	70		CBIDRP
C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+](C)C	ZINC000160652351	351971550	/nfs/dbraw/zinc/97/15/50/351971550.db2.gz	RFHZMMHGQCXVHU-NWDGAFQWSA-N	2	0	257.378	-0.101	20	70		CBIDRP
CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000217721399	372868286	/nfs/dbraw/zinc/86/82/86/372868286.db2.gz	VHMRMAVFDGKQLB-QJPTWQEYSA-N	2	0	257.378	-0.198	20	70		CBIDRP
CCN(CC[NH2+]C[C@@H](O)CN1CCOCC1)C1CC1	ZINC000218467621	372869279	/nfs/dbraw/zinc/86/92/79/372869279.db2.gz	JPFWJYASSWFULD-CQSZACIVSA-N	2	0	271.405	-0.247	20	70		CBIDRP
C[NH+](C)CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217039322	220235482	/nfs/dbraw/zinc/23/54/82/220235482.db2.gz	HHRVFNLOUYOUID-STQMWFEESA-N	2	0	296.415	-0.345	20	70		CBIDRP
O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1	ZINC000217387666	582128024	/nfs/dbraw/zinc/12/80/24/582128024.db2.gz	GXPFBIYMZJFGOE-UKRRQHHQSA-N	2	0	283.416	-0.247	20	70		CBIDRP
CO[C@]1(C[NH2+]CC(=O)N2CCN(C)CC2)CCOC1	ZINC000160274129	351969289	/nfs/dbraw/zinc/96/92/89/351969289.db2.gz	CZPNCXADQVDEFZ-ZDUSSCGKSA-N	2	0	271.361	-0.845	20	70		CBIDRP
C[NH+](C)CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217039283	220236325	/nfs/dbraw/zinc/23/63/25/220236325.db2.gz	HHRVFNLOUYOUID-OLZOCXBDSA-N	2	0	296.415	-0.345	20	70		CBIDRP
C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCCC1	ZINC000161073651	544475541	/nfs/dbraw/zinc/47/55/41/544475541.db2.gz	GMHUPRDJSDCMIZ-SNVBAGLBSA-N	2	0	266.349	-0.549	20	70		CBIDRP
C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCCC1	ZINC000161073524	544476440	/nfs/dbraw/zinc/47/64/40/544476440.db2.gz	GMHUPRDJSDCMIZ-JTQLQIEISA-N	2	0	266.349	-0.549	20	70		CBIDRP
O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1	ZINC000217387578	582127966	/nfs/dbraw/zinc/12/79/66/582127966.db2.gz	GXPFBIYMZJFGOE-DZGCQCFKSA-N	2	0	283.416	-0.247	20	70		CBIDRP
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@H](O)C[NH2+]1	ZINC000217810596	352234082	/nfs/dbraw/zinc/23/40/82/352234082.db2.gz	IKENJHYZPILXDX-QCNOEVLYSA-N	2	0	253.346	-0.548	20	70		CBIDRP
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000217810689	352234393	/nfs/dbraw/zinc/23/43/93/352234393.db2.gz	IKENJHYZPILXDX-KKOKHZNYSA-N	2	0	253.346	-0.548	20	70		CBIDRP
CS(=O)(=O)N[C@H]1CCC[N@H+](CCn2ccnc2)C1	ZINC000159791122	544473798	/nfs/dbraw/zinc/47/37/98/544473798.db2.gz	DQCADFHGXBPLGJ-NSHDSACASA-N	2	0	272.374	-0.103	20	70		CBIDRP
CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217056587	352232583	/nfs/dbraw/zinc/23/25/83/352232583.db2.gz	HBWBIQYXMQXKBM-FRRDWIJNSA-N	2	0	296.415	-0.170	20	70		CBIDRP
CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217037694	352232702	/nfs/dbraw/zinc/23/27/02/352232702.db2.gz	INVMHHKMMPEITO-STQMWFEESA-N	2	0	296.415	-0.297	20	70		CBIDRP
CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217037650	220235947	/nfs/dbraw/zinc/23/59/47/220235947.db2.gz	INVMHHKMMPEITO-OLZOCXBDSA-N	2	0	296.415	-0.297	20	70		CBIDRP
CN(C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217043123	329316671	/nfs/dbraw/zinc/31/66/71/329316671.db2.gz	YEKGKFFTRYWWNN-OLZOCXBDSA-N	2	0	296.415	-0.345	20	70		CBIDRP
C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217050422	352232109	/nfs/dbraw/zinc/23/21/09/352232109.db2.gz	ZFILTRYOZCBNDE-UTUOFQBUSA-N	2	0	282.388	-0.560	20	70		CBIDRP
C[NH+](C)CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000217039360	220235709	/nfs/dbraw/zinc/23/57/09/220235709.db2.gz	HHRVFNLOUYOUID-CHWSQXEVSA-N	2	0	296.415	-0.345	20	70		CBIDRP
Cn1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(=O)n(C)c1=O	ZINC000217625843	544490697	/nfs/dbraw/zinc/49/06/97/544490697.db2.gz	YOKNKDBJJXTBLR-OLZOCXBDSA-N	2	0	292.383	-0.200	20	70		CBIDRP