smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000001547992	569070468	/nfs/dbraw/zinc/07/04/68/569070468.db2.gz	LQZAIAZUDWIVPM-GRYCIOLGSA-N	0	1	405.415	-2.146	40	0		HAABMN
CN1C(=O)C[C@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000003873381	569254770	/nfs/dbraw/zinc/25/47/70/569254770.db2.gz	LQZAIAZUDWIVPM-IJLUTSLNSA-N	0	1	405.415	-2.146	40	0		HAABMN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000004217552	557529685	/nfs/dbraw/zinc/52/96/85/557529685.db2.gz	MJINRRBEMOLJAK-DCAQKATOSA-N	0	1	417.467	-2.765	40	0	in-man	HAABMN
C[C@H]1SC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000004654835	569071407	/nfs/dbraw/zinc/07/14/07/569071407.db2.gz	RSHMQGIMHQPMEB-IXOXFDKPSA-N	0	1	408.484	-1.467	40	0	in-man	HAABMN
C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000004899799	557611507	/nfs/dbraw/zinc/61/15/07/557611507.db2.gz	CJEHCEOXPLASCK-MEYUZBJRSA-N	0	1	410.471	-1.174	40	0		HAABMN
C[C@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000005462364	557655078	/nfs/dbraw/zinc/65/50/78/557655078.db2.gz	CJEHCEOXPLASCK-DDWPSWQVSA-N	0	1	410.471	-1.174	40	0		HAABMN
C[C@H](O)[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000005462369	557655065	/nfs/dbraw/zinc/65/50/65/557655065.db2.gz	CJEHCEOXPLASCK-VCOSZWKGSA-N	0	1	410.471	-1.174	40	0		HAABMN
C[C@@H](O)[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000005462371	557655121	/nfs/dbraw/zinc/65/51/21/557655121.db2.gz	CJEHCEOXPLASCK-IPOQPSJVSA-N	0	1	410.471	-1.174	40	0		HAABMN
C[C@@H]1SC[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000011616831	1071578240	/nfs/dbraw/zinc/57/82/40/1071578240.db2.gz	RSHMQGIMHQPMEB-FTYKPCCVSA-N	0	1	408.484	-1.467	40	0		HAABMN
Nc1nc(=O)c2c([nH]1)N([C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)[C@@H](NCCc1ccccc1)N2	ZINC000012376322	558392121	/nfs/dbraw/zinc/39/21/21/558392121.db2.gz	GINXPQLMJCCZKD-GPVPIWSBSA-N	0	1	404.427	-1.861	40	0	biogenic,in-vitro	HAABMN
Nc1nc2c([nH]c(=NOCc3ccccc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000015220816	568819340	/nfs/dbraw/zinc/81/93/40/568819340.db2.gz	BTCJLKIHUKUMAR-ADGXKJENSA-N	0	1	404.383	-1.143	40	0		HAABMN
CC(C)N1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000016028941	569345045	/nfs/dbraw/zinc/34/50/45/569345045.db2.gz	MXUWOPKTHSKITL-ADGXKJENSA-N	0	1	409.447	-2.156	40	0		HAABMN
CN1C(=O)C(=O)N(CCCN2CCN(CCCN3C(=O)C(=O)N(C)C3=O)CC2)C1=O	ZINC000019364722	558876877	/nfs/dbraw/zinc/87/68/77/558876877.db2.gz	PQEHLXUCDZCKSF-UHFFFAOYSA-N	0	1	422.442	-1.775	40	0		HAABMN
CN1C(=O)C[C@@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000026267174	569030888	/nfs/dbraw/zinc/03/08/88/569030888.db2.gz	LQZAIAZUDWIVPM-TUAOUCFPSA-N	0	1	405.415	-2.146	40	0		HAABMN
C[C@@H]1SC[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000031361247	571315672	/nfs/dbraw/zinc/31/56/72/571315672.db2.gz	RSHMQGIMHQPMEB-SYEHKZFSSA-N	0	1	408.484	-1.467	40	0		HAABMN
CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000032296163	569039426	/nfs/dbraw/zinc/03/94/26/569039426.db2.gz	LQZAIAZUDWIVPM-WOPDTQHZSA-N	0	1	405.415	-2.146	40	0		HAABMN
Nc1nc(=O)c2c([nH]1)N([C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)[C@H](NCCc1ccccc1)N2	ZINC000039939866	558822701	/nfs/dbraw/zinc/82/27/01/558822701.db2.gz	GINXPQLMJCCZKD-YRHKEVNRSA-N	0	1	404.427	-1.861	40	0	biogenic,in-vitro	HAABMN
C[C@@H](O)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000058590850	558928712	/nfs/dbraw/zinc/92/87/12/558928712.db2.gz	SINRIKQYQJRGDQ-MEYUZBJRSA-N	0	1	410.471	-1.174	40	0		HAABMN
CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000073390779	558986281	/nfs/dbraw/zinc/98/62/81/558986281.db2.gz	RIOXASLXDGZHON-NLRWUALESA-N	0	1	417.346	-1.673	40	0		HAABMN
CC(=O)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000073390782	558986313	/nfs/dbraw/zinc/98/63/13/558986313.db2.gz	RIOXASLXDGZHON-XOBFJNJYSA-N	0	1	417.346	-1.673	40	0		HAABMN
CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000073390786	558986264	/nfs/dbraw/zinc/98/62/64/558986264.db2.gz	RIOXASLXDGZHON-WPLOAARJSA-N	0	1	417.346	-1.673	40	0		HAABMN
CC(=O)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000073390789	558986306	/nfs/dbraw/zinc/98/63/06/558986306.db2.gz	RIOXASLXDGZHON-RLPMIEJPSA-N	0	1	417.346	-1.673	40	0		HAABMN
CN1C(=O)C[C@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000097975972	569128842	/nfs/dbraw/zinc/12/88/42/569128842.db2.gz	LQZAIAZUDWIVPM-UTUOFQBUSA-N	0	1	405.415	-2.146	40	0		HAABMN
CC(C)N1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)CC1	ZINC000253569896	569283866	/nfs/dbraw/zinc/28/38/66/569283866.db2.gz	MXUWOPKTHSKITL-CKRXIKOQSA-N	0	1	409.447	-1.744	40	0		HAABMN
CC(C)N1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)CC1	ZINC000253569897	569283855	/nfs/dbraw/zinc/28/38/55/569283855.db2.gz	MXUWOPKTHSKITL-JDTTZNEISA-N	0	1	409.447	-1.744	40	0		HAABMN
Nc1nc(=O)c2c([nH]1)N([C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)[C@@H](NCCc1ccccc1)N2	ZINC000254526807	560041441	/nfs/dbraw/zinc/04/14/41/560041441.db2.gz	GINXPQLMJCCZKD-SGQXMLLWSA-N	0	1	404.427	-1.449	40	0	biogenic,in-vitro	HAABMN
Nc1nc(=O)c2c([nH]1)N([C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)[C@@H](NCCc1ccccc1)N2	ZINC000254526808	560041454	/nfs/dbraw/zinc/04/14/54/560041454.db2.gz	GINXPQLMJCCZKD-YTRBQIAMSA-N	0	1	404.427	-1.449	40	0	biogenic,in-vitro	HAABMN
Nc1nc(=O)c2c([nH]1)N([C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)[C@H](NCCc1ccccc1)N2	ZINC000254526809	560041435	/nfs/dbraw/zinc/04/14/35/560041435.db2.gz	GINXPQLMJCCZKD-ZGWZXYFRSA-N	0	1	404.427	-1.449	40	0	biogenic,in-vitro	HAABMN
Nc1nc(=O)c2c([nH]1)N([C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)[C@H](NCCc1ccccc1)N2	ZINC000254526810	560041485	/nfs/dbraw/zinc/04/14/85/560041485.db2.gz	GINXPQLMJCCZKD-ZPGJDBJZSA-N	0	1	404.427	-1.449	40	0	biogenic,in-vitro	HAABMN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])[C@@H](O)[C@H]1O	ZINC000257202990	568776942	/nfs/dbraw/zinc/77/69/42/568776942.db2.gz	AOECPZWKBQQHMW-NRMQNWBOSA-N	0	1	418.370	-2.437	40	0		HAABMN
CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)CC1	ZINC000257268432	568795137	/nfs/dbraw/zinc/79/51/37/568795137.db2.gz	MLQZWWZEIGWUSV-IBGZPJMESA-N	0	1	407.471	-1.143	40	0		HAABMN
CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)CC1	ZINC000257268433	568795258	/nfs/dbraw/zinc/79/52/58/568795258.db2.gz	MLQZWWZEIGWUSV-LJQANCHMSA-N	0	1	407.471	-1.143	40	0		HAABMN
C[C@@H]1SC[C@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000271778083	571314421	/nfs/dbraw/zinc/31/44/21/571314421.db2.gz	RSHMQGIMHQPMEB-SQNXGDPESA-N	0	1	408.484	-1.467	40	0		HAABMN
C[C@@H]1SC[C@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000271778088	571314517	/nfs/dbraw/zinc/31/45/17/571314517.db2.gz	RSHMQGIMHQPMEB-WKSBVSIWSA-N	0	1	408.484	-1.467	40	0		HAABMN
CN(C)CC(=O)N1C[C@H](O)C[C@](C)(O)[C@@H](n2cnc3c2c(=O)n(C)c(=O)n3C)C1	ZINC000585286944	559122162	/nfs/dbraw/zinc/12/21/62/559122162.db2.gz	YJNSULFBDDIGLH-SOZUMNATSA-N	0	1	408.459	-2.119	40	0		HAABMN
CN(C)CC(=O)N1C[C@@H](n2cnc3c2c(=O)n(C)c(=O)n3C)[C@](C)(O)C[C@H](O)C1	ZINC000585286947	559122160	/nfs/dbraw/zinc/12/21/60/559122160.db2.gz	YJNSULFBDDIGLH-VNBZBWLYSA-N	0	1	408.459	-2.119	40	0		HAABMN