smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CCOC)CC2)c1	ZINC000058062980	518289641	/nfs/dbraw/zinc/28/96/41/518289641.db2.gz	QEIWPYDQUNUXDK-UHFFFAOYSA-N	0	3	379.482	0.439	50	30		GCEAHN
C=CCN1C[C@H](C(=O)N2CCC3(CN(CCN(C)C)C(=O)O3)CC2)CC1=O	ZINC000077523890	518872010	/nfs/dbraw/zinc/87/20/10/518872010.db2.gz	IAJDYSNCYFVZJS-OAHLLOKOSA-N	0	3	378.473	0.396	50	30		GCEAHN
CN1CCN(C[C@@H]2CN(C(=O)c3ccc(C#CC(C)(C)O)o3)C[C@@H]2CO)CC1	ZINC000095391024	523905457	/nfs/dbraw/zinc/90/54/57/523905457.db2.gz	SJOGLCLNBJUOEH-IAGOWNOFSA-N	0	3	389.496	0.330	50	30		GCEAHN
CCn1c([C@@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)nn(CCN(C)C)c1=O	ZINC000067690354	205254282	/nfs/dbraw/zinc/25/42/82/205254282.db2.gz	RTWVMJPFOWECDP-MRXNPFEDSA-N	0	3	397.483	0.913	50	30		GCEAHN
CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]32)[C@@H]14	ZINC000107336548	570973116	/nfs/dbraw/zinc/97/31/16/570973116.db2.gz	BSBCHFAQVMPCHU-BBVNYELESA-N	0	3	391.508	0.646	50	30		GCEAHN
C=CCN1C[C@@H](C(=O)N2CCC3(CN(CCN(C)C)C(=O)O3)CC2)CC1=O	ZINC000077523895	518870809	/nfs/dbraw/zinc/87/08/09/518870809.db2.gz	IAJDYSNCYFVZJS-HNNXBMFYSA-N	0	3	378.473	0.396	50	30		GCEAHN
Cn1ccnc1CN1C[C@H]2CN(Cc3cc(C#CCO)cs3)C[C@]2(CO)C1	ZINC001772700786	1187631318	/nfs/dbraw/zinc/63/13/18/1187631318.db2.gz	DXFGNWUUBZQTNI-YLJYHZDGSA-N	0	3	386.521	0.752	50	30		GCEAHN
Cn1ccnc1CN1C[C@H]2CN(Cc3cc(C#CCO)cs3)C[C@@]2(CO)C1	ZINC001772700785	1187631184	/nfs/dbraw/zinc/63/11/84/1187631184.db2.gz	DXFGNWUUBZQTNI-XLIONFOSSA-N	0	3	386.521	0.752	50	30		GCEAHN
CN1CCCN(C(=O)C[C@@H]2COCCN2Cc2cc(C#CCO)cs2)CC1	ZINC000072475597	570971831	/nfs/dbraw/zinc/97/18/31/570971831.db2.gz	CJNGSMUTKUOTKF-GOSISDBHSA-N	0	3	391.537	0.847	50	30		GCEAHN
Cn1ccnc1CN1C[C@@H]2CN(Cc3cc(C#CCO)cs3)C[C@@]2(CO)C1	ZINC001772700784	1187631357	/nfs/dbraw/zinc/63/13/57/1187631357.db2.gz	DXFGNWUUBZQTNI-PXNSSMCTSA-N	0	3	386.521	0.752	50	30		GCEAHN
CCN1C[C@]23O[C@H]2C[C@H](O)[C@]24[C@H]1[C@H](C[C@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@H]1[C@H]2OC	ZINC000239025498	212133335	/nfs/dbraw/zinc/13/33/35/212133335.db2.gz	BSBCHFAQVMPCHU-REPQFFDFSA-N	0	3	391.508	0.646	50	30		GCEAHN
CN(C)CCn1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1	ZINC000058156314	521817236	/nfs/dbraw/zinc/81/72/36/521817236.db2.gz	DKLCSTHUBCGNQH-UHFFFAOYSA-N	0	3	390.469	0.889	50	30		GCEAHN
C#CCNC(=O)[C@@H](NC(=O)NCCN1CCC(c2ccccc2)CC1)[C@@H](C)O	ZINC000426445626	527023088	/nfs/dbraw/zinc/02/30/88/527023088.db2.gz	OYNVONJPZACVKX-APWZRJJASA-N	0	3	386.496	0.664	50	30		GCEAHN
Cn1c(NCCCN2CCN(Cc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000029170885	1199951077	/nfs/dbraw/zinc/95/10/77/1199951077.db2.gz	OUDFUNHAUIHXAL-UHFFFAOYSA-N	0	3	396.495	0.575	50	30		GCEAHN
CCN(Cc1noc(C)n1)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)c2)CN1	ZINC000067867063	222164293	/nfs/dbraw/zinc/16/42/93/222164293.db2.gz	USKSKHLVDREBBK-CVEARBPZSA-N	0	3	382.424	0.759	50	30		GCEAHN
CN1CCCN(C(=O)C[C@H]2COCCN2Cc2cc(C#CCO)cs2)CC1	ZINC000072475598	570972032	/nfs/dbraw/zinc/97/20/32/570972032.db2.gz	CJNGSMUTKUOTKF-SFHVURJKSA-N	0	3	391.537	0.847	50	30		GCEAHN
C=CCn1c(=O)c2c(nc3n2CC(C)=NN3CCN2CCCCC2)n(C)c1=O	ZINC000010387068	206392027	/nfs/dbraw/zinc/39/20/27/206392027.db2.gz	BJILLLVADYUQEY-UHFFFAOYSA-N	0	3	385.472	0.765	50	30		GCEAHN
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1	ZINC000003871842	523994076	/nfs/dbraw/zinc/99/40/76/523994076.db2.gz	XASIMHXSUQUHLV-UHFFFAOYSA-N	0	3	398.419	0.985	50	30	in-man	GCEAHN
CCN(CC)CC(=O)N1CCN(c2cc(S(N)(=O)=O)ccc2C#N)CC1	ZINC000225388382	1199330116	/nfs/dbraw/zinc/33/01/16/1199330116.db2.gz	GCRLQIOOIDVHGG-UHFFFAOYSA-N	0	3	379.486	0.196	50	30		GCEAHN
Cn1ccnc1CN1C[C@@H]2CN(Cc3cc(C#CCO)cs3)C[C@]2(CO)C1	ZINC001772700778	1187631132	/nfs/dbraw/zinc/63/11/32/1187631132.db2.gz	DXFGNWUUBZQTNI-FXAWDEMLSA-N	0	3	386.521	0.752	50	30		GCEAHN