smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@@H]12)C(C)(C)O	ZINC000006494315	201361498	/nfs/dbraw/zinc/36/14/98/201361498.db2.gz	ZNEMYFCJOCCUJN-HBCZOZSTSA-N	1	1	329.393	-0.558	1	0		EBAFMO
Nc1nc2c(c(-c3ccco3)cn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)[nH+]1	ZINC000103249474	204069168	/nfs/dbraw/zinc/06/91/68/204069168.db2.gz	ALAXQYBPDTZYHA-IDTAVKCVSA-N	1	1	347.331	-0.533	1	0		EBAFMO
Nc1nc2c(c(-c3ccoc3)cn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)[nH+]1	ZINC000103249477	204068776	/nfs/dbraw/zinc/06/87/76/204068776.db2.gz	ASONMXKYAFTLNQ-IDTAVKCVSA-N	1	1	347.331	-0.533	1	0		EBAFMO
CN(C/C=C\C[NH3+])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)C[C@@H]1O	ZINC000027558564	202157049	/nfs/dbraw/zinc/15/70/49/202157049.db2.gz	WJXVWCZSTHQCKL-YFXGRDGWSA-N	1	1	333.396	-0.496	1	0		EBAFMO
O=S1(=O)C[C@H](N2CC[NH+](CCO)CC2)CN1Cc1ccccc1	ZINC000072134805	216024145	/nfs/dbraw/zinc/02/41/45/216024145.db2.gz	ALFGWGPOFGQALD-MRXNPFEDSA-N	1	1	339.461	-0.190	3	0		EBAFMO
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2nnco2)c2c1nc[nH+]c2N	ZINC000068198906	215289087	/nfs/dbraw/zinc/28/90/87/215289087.db2.gz	XGBYBQNGOAAYCB-MVNCPAOLSA-N	1	1	348.319	-0.935	1	0		EBAFMO
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@H+]2CC[C@@H](O)[C@H]12)C(C)(C)O	ZINC000004916196	210321873	/nfs/dbraw/zinc/32/18/73/210321873.db2.gz	ZNEMYFCJOCCUJN-KBNOKHGBSA-N	1	1	329.393	-0.558	1	0		EBAFMO
C[C@H]1C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@@](C)(O)[C@]1(C)O)[C@H]23	ZINC000001319792	560180449	/nfs/dbraw/zinc/18/04/49/560180449.db2.gz	QVCMHGGNRFRMAD-QGANALPKSA-N	1	1	325.361	-0.393	1	0	biogenic,in-vitro	EBAFMO
Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC(O)(CO)CC1	ZINC000067884790	649965494	/nfs/dbraw/zinc/96/54/94/649965494.db2.gz	BGNAROSMAACGDM-UHFFFAOYSA-N	1	1	349.435	-0.504	1	0		EBAFMO
O=S1(=O)C[C@@H](N2CC[NH+](CCO)CC2)CN1Cc1ccccc1	ZINC000072134804	216023030	/nfs/dbraw/zinc/02/30/30/216023030.db2.gz	ALFGWGPOFGQALD-INIZCTEOSA-N	1	1	339.461	-0.190	3	0		EBAFMO
O=S1(=O)C[C@H]([N@@H+]2CC[C@@H](O)C2)[C@@H](COCc2ccccc2)N1	ZINC000072139451	216026385	/nfs/dbraw/zinc/02/63/85/216026385.db2.gz	XTKQRPLDTZVLJH-KFWWJZLASA-N	1	1	326.418	-0.060	3	0		EBAFMO
O=S1(=O)C[C@H]([N@H+]2CC[C@@H](O)C2)[C@@H](COCc2ccccc2)N1	ZINC000072139451	216026387	/nfs/dbraw/zinc/02/63/87/216026387.db2.gz	XTKQRPLDTZVLJH-KFWWJZLASA-N	1	1	326.418	-0.060	3	0		EBAFMO
O=C(NCC[C@H]1C[N@H+](C2CCCC2)CCO1)c1cc(=O)[nH]c(=O)[nH]1	ZINC000067773529	215209690	/nfs/dbraw/zinc/20/96/90/215209690.db2.gz	VMZPEOFBKOOXOX-LBPRGKRZSA-N	1	1	336.392	-0.174	1	0		EBAFMO
O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)N1CCNC(=O)C1	ZINC000012111846	211291379	/nfs/dbraw/zinc/29/13/79/211291379.db2.gz	CKICSNHKAHOEMQ-CQSZACIVSA-N	1	1	336.436	-0.284	1	0		EBAFMO
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ncco2)c2c1nc[nH+]c2N	ZINC000068198900	215289133	/nfs/dbraw/zinc/28/91/33/215289133.db2.gz	SPKMOPYEWVIJRT-FTTKWNSESA-N	1	1	347.331	-0.330	1	0		EBAFMO
CO[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CC[C@@H](O)[C@H]12)C(C)(C)O	ZINC000004916183	210322623	/nfs/dbraw/zinc/32/26/23/210322623.db2.gz	ZNEMYFCJOCCUJN-YPHNTLSLSA-N	1	1	329.393	-0.558	1	0		EBAFMO
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ncon2)c2c1nc[nH+]c2N	ZINC000068198902	215288743	/nfs/dbraw/zinc/28/87/43/215288743.db2.gz	ISFKCFKKYCKEPL-MVNCPAOLSA-N	1	1	348.319	-0.935	1	0		EBAFMO
O=C(NCC[C@@H]1C[N@H+](C2CCCC2)CCO1)c1cc(=O)[nH]c(=O)[nH]1	ZINC000067773528	215208839	/nfs/dbraw/zinc/20/88/39/215208839.db2.gz	VMZPEOFBKOOXOX-GFCCVEGCSA-N	1	1	336.392	-0.174	1	0		EBAFMO
O=C(COc1ccc2c(c1)OCO2)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1	ZINC000072163408	216051998	/nfs/dbraw/zinc/05/19/98/216051998.db2.gz	GGFLXLXDBWIVQQ-CYBMUJFWSA-N	1	1	347.371	-0.127	1	0		EBAFMO
C[C@@H]1C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23	ZINC000014594852	296263807	/nfs/dbraw/zinc/26/38/07/296263807.db2.gz	QVCMHGGNRFRMAD-DBXOSMHCSA-N	1	1	325.361	-0.393	1	0	endogenous,in-man	EBAFMO
O=C(COc1ccc2c(c1)OCO2)N1CC[NH2+]C[C@H]1C(=O)NC1CC1	ZINC000072163409	216051455	/nfs/dbraw/zinc/05/14/55/216051455.db2.gz	GGFLXLXDBWIVQQ-ZDUSSCGKSA-N	1	1	347.371	-0.127	1	0		EBAFMO
CC(=O)N[C@H]1[C@H]([N@H+]2CCCCC[C@@H]2CO)C=C(C(=O)[O-])C[C@@H]1[NH3+]	ZINC000014944958	581098602	/nfs/dbraw/zinc/09/86/02/581098602.db2.gz	IIIHFJUFPWPHFQ-LXTVHRRPSA-N	1	1	325.409	-0.161	1	0		EBAFMO