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](O)CCN(C)CCn1ccnc1	159606232	538034188	/nfs/dbraw/zinc/03/41/88/538034188.db2.gz	JLUPHCIOJGEMJC-SNVBAGLBSA-N	0	3	197.282	0.586	20	70		ACIDHN
C[C@H](O)CCN(C)CCn1ccnc1	159606152	538036693	/nfs/dbraw/zinc/03/66/93/538036693.db2.gz	JLUPHCIOJGEMJC-JTQLQIEISA-N	0	3	197.282	0.586	20	70		ACIDHN
CCn1nccc1CN[C@H](C)CO	160204095	538038185	/nfs/dbraw/zinc/03/81/85/538038185.db2.gz	HEKZOUVDSPPMTL-MRVPVSSYSA-N	0	3	183.255	0.373	20	70		ACIDHN
CO[C@@H](C)C(=O)N(C)CCN(C)C	160811347	538049647	/nfs/dbraw/zinc/04/96/47/538049647.db2.gz	JZYIEVUOOHYMBX-QMMMGPOBSA-N	0	3	188.271	0.041	20	70		ACIDHN
CO[C@H](C)C(=O)N(C)CCN(C)C	160811453	538051679	/nfs/dbraw/zinc/05/16/79/538051679.db2.gz	JZYIEVUOOHYMBX-MRVPVSSYSA-N	0	3	188.271	0.041	20	70		ACIDHN
C[C@@H]1C[C@@H]1CNC(=O)CNC1CC1	159617031	486973522	/nfs/dbraw/zinc/97/35/22/486973522.db2.gz	OVILRWGAUHUVKL-HTQZYQBOSA-N	0	3	182.267	0.511	20	70		ACIDHN
C[C@H]1C[C@@H]1CNC(=O)CNC1CC1	159617152	486973788	/nfs/dbraw/zinc/97/37/88/486973788.db2.gz	OVILRWGAUHUVKL-JGVFFNPUSA-N	0	3	182.267	0.511	20	70		ACIDHN
CC1CC(NC(=O)CNC2CC2)C1	159621332	486974250	/nfs/dbraw/zinc/97/42/50/486974250.db2.gz	GVGLLFYKTNAJMA-UHFFFAOYSA-N	0	3	182.267	0.653	20	70		ACIDHN
CN(CC(F)F)C(=O)CNC1CC1	159617982	486974791	/nfs/dbraw/zinc/97/47/91/486974791.db2.gz	JXGQDTQJYFEPAW-UHFFFAOYSA-N	0	3	192.209	0.462	20	70		ACIDHN
COc1cccc(CNCCO)c1F	160461636	486974912	/nfs/dbraw/zinc/97/49/12/486974912.db2.gz	LCSQHYYCMYIIPO-UHFFFAOYSA-N	0	3	199.225	0.916	20	70		ACIDHN
C[C@H]1C[C@H]1CNC(=O)CNC1CC1	159617416	486975093	/nfs/dbraw/zinc/97/50/93/486975093.db2.gz	OVILRWGAUHUVKL-YUMQZZPRSA-N	0	3	182.267	0.511	20	70		ACIDHN
C[C@H](CNC(=O)CNC1CC1)C1CC1	159617839	486975215	/nfs/dbraw/zinc/97/52/15/486975215.db2.gz	JYIZLTPWRLFGKG-MRVPVSSYSA-N	0	3	196.294	0.901	20	70		ACIDHN
CN(C(=O)CNC1CC1)C1CCC1	159620759	486975252	/nfs/dbraw/zinc/97/52/52/486975252.db2.gz	UAZMRPYXIGPPDX-UHFFFAOYSA-N	0	3	182.267	0.749	20	70		ACIDHN
C[C@@H]1C[C@H]1CNC(=O)CNC1CC1	159617274	486975282	/nfs/dbraw/zinc/97/52/82/486975282.db2.gz	OVILRWGAUHUVKL-SFYZADRCSA-N	0	3	182.267	0.511	20	70		ACIDHN
C[C@@H](CNC(=O)CNC1CC1)C1CC1	159617735	486975341	/nfs/dbraw/zinc/97/53/41/486975341.db2.gz	JYIZLTPWRLFGKG-QMMMGPOBSA-N	0	3	196.294	0.901	20	70		ACIDHN
Cc1cnccc1CNC[C@H](C)O	160607805	486976372	/nfs/dbraw/zinc/97/63/72/486976372.db2.gz	VKTJLUXYBXIQBZ-VIFPVBQESA-N	0	3	180.251	0.860	20	70		ACIDHN
Cc1cnccc1CNC[C@@H](C)O	160607689	486976693	/nfs/dbraw/zinc/97/66/93/486976693.db2.gz	VKTJLUXYBXIQBZ-SECBINFHSA-N	0	3	180.251	0.860	20	70		ACIDHN
Cc1cnccc1CNCCC(N)=O	160679435	486978069	/nfs/dbraw/zinc/97/80/69/486978069.db2.gz	UVKCTWHEVHMIDN-UHFFFAOYSA-N	0	3	193.250	0.355	20	70		ACIDHN
COC(CN1CC[C@@](C)(O)C1)OC	217975617	583490015	/nfs/dbraw/zinc/49/00/15/583490015.db2.gz	SFPGOGNTYYLHJX-SECBINFHSA-N	0	3	189.255	0.062	20	70		ACIDHN
COC(CN1CC[C@](C)(O)C1)OC	217975711	583490058	/nfs/dbraw/zinc/49/00/58/583490058.db2.gz	SFPGOGNTYYLHJX-VIFPVBQESA-N	0	3	189.255	0.062	20	70		ACIDHN
COC(=O)N1CC[C@H]2CC[C@@H](C1)N2C	217725806	583490524	/nfs/dbraw/zinc/49/05/24/583490524.db2.gz	PTYMMWGZGYDSOR-BDAKNGLRSA-N	0	3	198.266	0.921	20	70		ACIDHN
CC[C@@H](O)CCNCc1cnccn1	218766200	583493657	/nfs/dbraw/zinc/49/36/57/583493657.db2.gz	OJGQCEVGOZHGBE-SNVBAGLBSA-N	0	3	195.266	0.727	20	70		ACIDHN
CC[C@H](O)CCNCc1cnccn1	218766237	583493839	/nfs/dbraw/zinc/49/38/39/583493839.db2.gz	OJGQCEVGOZHGBE-JTQLQIEISA-N	0	3	195.266	0.727	20	70		ACIDHN
CO[C@@H](C)C(=O)NC[C@H](C)N(C)C	160531526	344168469	/nfs/dbraw/zinc/16/84/69/344168469.db2.gz	GHKHNOOWHHLSKN-YUMQZZPRSA-N	0	3	188.271	0.088	20	70		ACIDHN
CO[C@H](C)C(=O)NC[C@H](C)N(C)C	160531233	344168510	/nfs/dbraw/zinc/16/85/10/344168510.db2.gz	GHKHNOOWHHLSKN-JGVFFNPUSA-N	0	3	188.271	0.088	20	70		ACIDHN
CO[C@@H](C)C(=O)NC[C@@H](C)N(C)C	160531651	344168573	/nfs/dbraw/zinc/16/85/73/344168573.db2.gz	GHKHNOOWHHLSKN-SFYZADRCSA-N	0	3	188.271	0.088	20	70		ACIDHN
CO[C@H](C)C(=O)NC[C@@H](C)N(C)C	160531360	344168589	/nfs/dbraw/zinc/16/85/89/344168589.db2.gz	GHKHNOOWHHLSKN-HTQZYQBOSA-N	0	3	188.271	0.088	20	70		ACIDHN
CN1CCC[C@@H]1CNCc1ncc[nH]1	218234765	344410641	/nfs/dbraw/zinc/41/06/41/344410641.db2.gz	ONILJAAEAZYVQX-SECBINFHSA-N	0	3	194.282	0.594	20	70		ACIDHN