smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1	ZINC000012300584	570236401	/nfs/dbraw/zinc/23/64/01/570236401.db2.gz	DXQIYTNAPIDGBW-LJQANCHMSA-N	1	3	375.532	3.394	50	30		GGEAHO
C=C(C)CN(C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000011708804	570411185	/nfs/dbraw/zinc/41/11/85/570411185.db2.gz	PDGYZKYRJXXRLB-HXUWFJFHSA-N	1	3	376.541	3.319	50	30		GGEAHO
C#Cc1ccc(CN(Cc2ccncc2)CC2CC[NH+](CCOC)CC2)cc1	ZINC000015075099	1399136748	/nfs/dbraw/zinc/13/67/48/1399136748.db2.gz	YSQDLNLSSZAPHX-UHFFFAOYSA-N	1	3	377.532	3.424	50	30		GGEAHO
CSCCC[NH+]1CCC2(CCN(Cc3ccc(C#N)cc3)C[C@H]2CO)CC1	ZINC000097529011	211367085	/nfs/dbraw/zinc/36/70/85/211367085.db2.gz	WKLUNOYUCXNQIJ-NRFANRHFSA-N	1	3	387.593	3.208	50	30		GGEAHO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000095518025	211265408	/nfs/dbraw/zinc/26/54/08/211265408.db2.gz	HRGUGMWNSGROOP-JOCHJYFZSA-N	1	3	382.552	3.151	50	30		GGEAHO
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000095518025	211265413	/nfs/dbraw/zinc/26/54/13/211265413.db2.gz	HRGUGMWNSGROOP-JOCHJYFZSA-N	1	3	382.552	3.151	50	30		GGEAHO
C=C(C)CNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000012757774	570238401	/nfs/dbraw/zinc/23/84/01/570238401.db2.gz	FUUSDCZMZHHULA-OAQYLSRUSA-N	1	3	381.564	3.023	50	30		GGEAHO
CCN(CC)CCn1c(N)[n+](CC(=O)c2ccc(Cl)cc2)c2ccccc21	ZINC000003121440	570329328	/nfs/dbraw/zinc/32/93/28/570329328.db2.gz	YWKADPYISCVQMQ-UHFFFAOYSA-O	1	3	385.919	3.389	50	30		GGEAHO
CC#CCN(Cc1ccco1)C(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1	ZINC000012429430	570237016	/nfs/dbraw/zinc/23/70/16/570237016.db2.gz	MFQZUGDSQXJFIV-HXUWFJFHSA-N	1	3	385.552	3.216	50	30		GGEAHO
CSCCC[NH+]1CCC2(CCN(Cc3ccc(C#N)cc3)C[C@@H]2CO)CC1	ZINC000097529010	570544609	/nfs/dbraw/zinc/54/46/09/570544609.db2.gz	WKLUNOYUCXNQIJ-OAQYLSRUSA-N	1	3	387.593	3.208	50	30		GGEAHO
C=C(C)CNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000012757777	570238734	/nfs/dbraw/zinc/23/87/34/570238734.db2.gz	FUUSDCZMZHHULA-NRFANRHFSA-N	1	3	381.564	3.023	50	30		GGEAHO
N#Cc1cccc(C[N@@H+]2CCC3(CCN(Cc4ccncc4)CC3)[C@H](CO)C2)c1	ZINC000097694833	570559337	/nfs/dbraw/zinc/55/93/37/570559337.db2.gz	LYRKWIXKNPCYGK-QHCPKHFHSA-N	1	3	390.531	3.050	50	30		GGEAHO
N#Cc1cccc(C[N@H+]2CCC3(CCN(Cc4ccncc4)CC3)[C@H](CO)C2)c1	ZINC000097694833	570559342	/nfs/dbraw/zinc/55/93/42/570559342.db2.gz	LYRKWIXKNPCYGK-QHCPKHFHSA-N	1	3	390.531	3.050	50	30		GGEAHO
C=CCCC(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1	ZINC000012300586	221178181	/nfs/dbraw/zinc/17/81/81/221178181.db2.gz	DXQIYTNAPIDGBW-IBGZPJMESA-N	1	3	375.532	3.394	50	30		GGEAHO
C=C(C)CNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000015073310	570246769	/nfs/dbraw/zinc/24/67/69/570246769.db2.gz	RQDTYJGNVCUSND-UHFFFAOYSA-N	1	3	383.580	3.488	50	30		GGEAHO
C=C(C)CN(C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000011708816	570410928	/nfs/dbraw/zinc/41/09/28/570410928.db2.gz	PDGYZKYRJXXRLB-FQEVSTJZSA-N	1	3	376.541	3.319	50	30		GGEAHO
CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000095518026	222345072	/nfs/dbraw/zinc/34/50/72/222345072.db2.gz	HRGUGMWNSGROOP-QFIPXVFZSA-N	1	3	382.552	3.151	50	30		GGEAHO
CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000095518026	222345075	/nfs/dbraw/zinc/34/50/75/222345075.db2.gz	HRGUGMWNSGROOP-QFIPXVFZSA-N	1	3	382.552	3.151	50	30		GGEAHO
CN(C)c1ccc(/C=N/N(C)CCN(C)/[NH+]=C/c2ccc(N(C)C)cc2)cc1	ZINC000002898510	522132072	/nfs/dbraw/zinc/13/20/72/522132072.db2.gz	AXMSBPGDLMGFGN-GJHDBBOXSA-N	1	3	380.540	3.050	50	30		GGEAHO
CC#CCN(Cc1ccco1)C(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1	ZINC000012429431	570237096	/nfs/dbraw/zinc/23/70/96/570237096.db2.gz	MFQZUGDSQXJFIV-FQEVSTJZSA-N	1	3	385.552	3.216	50	30		GGEAHO
CN(C)c1ccc(C=NN(C)CCN(C)[NH+]=Cc2ccc(N(C)C)cc2)cc1	ZINC000254794081	570294934	/nfs/dbraw/zinc/29/49/34/570294934.db2.gz	AXMSBPGDLMGFGN-UHFFFAOYSA-N	1	3	380.540	3.050	50	30		GGEAHO
N#Cc1cccc(C[N@@H+]2CCC3(CCN(Cc4ccncc4)CC3)[C@@H](CO)C2)c1	ZINC000097694834	570559275	/nfs/dbraw/zinc/55/92/75/570559275.db2.gz	LYRKWIXKNPCYGK-HSZRJFAPSA-N	1	3	390.531	3.050	50	30		GGEAHO
N#Cc1cccc(C[N@H+]2CCC3(CCN(Cc4ccncc4)CC3)[C@@H](CO)C2)c1	ZINC000097694834	570559283	/nfs/dbraw/zinc/55/92/83/570559283.db2.gz	LYRKWIXKNPCYGK-HSZRJFAPSA-N	1	3	390.531	3.050	50	30		GGEAHO