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)[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100804518	296199119	/nfs/dbraw/zinc/19/91/19/296199119.db2.gz	UWHJJEYOYYYZTD-IYSWYEEDSA-N	-1	0	273.241	-0.870	10	10		CBCERM
C[C@H](O)[C@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100804504	299541406	/nfs/dbraw/zinc/54/14/06/299541406.db2.gz	UWHJJEYOYYYZTD-FSPLSTOPSA-N	-1	0	273.241	-0.870	10	10		CBCERM
CN1C(=O)C(=CNCC(=O)NCC(=O)[O-])SC1=S	ZINC000618255157	356183351	/nfs/dbraw/zinc/18/33/51/356183351.db2.gz	PYAKBZLANOAADX-DJWKRKHSSA-N	-1	0	289.338	-0.892	10	10		CBCERM
Nc1ccc(OCCNc2n[nH]c(=O)[n-]c2=O)cc1	ZINC000038079701	174089069	/nfs/dbraw/zinc/08/90/69/174089069.db2.gz	SIVHSWWGGUPTGH-UHFFFAOYSA-N	-1	0	263.257	-0.469	10	10		CBCERM
C[C@H](O)[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100804511	299527461	/nfs/dbraw/zinc/52/74/61/299527461.db2.gz	UWHJJEYOYYYZTD-CAHLUQPWSA-N	-1	0	273.241	-0.870	10	10		CBCERM
NC(=O)CC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)[O-]	ZINC000040479030	174283773	/nfs/dbraw/zinc/28/37/73/174283773.db2.gz	BWIOFEQNQSEERC-SNVBAGLBSA-N	-1	0	279.296	-0.354	10	10		CBCERM
NC(=O)C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)[O-]	ZINC000040472615	174280328	/nfs/dbraw/zinc/28/03/28/174280328.db2.gz	OVJZFEJICIUQIH-VIFPVBQESA-N	-1	0	265.269	-0.744	10	10		CBCERM
NC(=O)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)[O-]	ZINC000040472616	174280736	/nfs/dbraw/zinc/28/07/36/174280736.db2.gz	OVJZFEJICIUQIH-SECBINFHSA-N	-1	0	265.269	-0.744	10	10		CBCERM
Nc1ccc(CCNS(=O)(=O)CC(=O)[O-])cc1	ZINC000063129889	527481300	/nfs/dbraw/zinc/48/13/00/527481300.db2.gz	DGUYWJIQVMRAIN-UHFFFAOYSA-N	-1	0	258.299	-0.185	10	10		CBCERM
NC(=O)CC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)[O-]	ZINC000040479029	174283832	/nfs/dbraw/zinc/28/38/32/174283832.db2.gz	BWIOFEQNQSEERC-JTQLQIEISA-N	-1	0	279.296	-0.354	10	10		CBCERM
Nc1ccc(N(CCO)CCOS(=O)(=O)[O-])cc1	ZINC000575419763	354935156	/nfs/dbraw/zinc/93/51/56/354935156.db2.gz	VKFPGOYJXQGDCU-UHFFFAOYSA-N	-1	0	276.314	-0.113	10	10		CBCERM
NC(=O)[C@H]1COCCN1C(=O)c1cccc(O)c1O	ZINC000126518318	582121365	/nfs/dbraw/zinc/12/13/65/582121365.db2.gz	HWVGJYCJOGOYCG-MRVPVSSYSA-N	-1	0	266.253	-0.576	10	10		CBCERM
NC1=C[C@H](C(=O)[O-])C(=S(=O)=O)C([N+](=O)[O-])=C1Cl	ZINC000095932728	303359938	/nfs/dbraw/zinc/35/99/38/303359938.db2.gz	GBQOGOGKLFWAFM-REOHCLBHSA-N	-1	0	280.645	-0.678	10	10		CBCERM
C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000038437297	174141626	/nfs/dbraw/zinc/14/16/26/174141626.db2.gz	XZZCFGQMQZJPLF-XRGYYRRGSA-N	-1	0	255.226	-0.338	10	10		CBCERM
NC1=C[C@@H](C(=O)[O-])C(=S(=O)=O)C([N+](=O)[O-])=C1Cl	ZINC000095932727	303359979	/nfs/dbraw/zinc/35/99/79/303359979.db2.gz	GBQOGOGKLFWAFM-UWTATZPHSA-N	-1	0	280.645	-0.678	10	10		CBCERM
CC(=O)NC1=NC(=O)/C(=C/N2CCN(CCO)CC2)S1	ZINC000618254901	356182982	/nfs/dbraw/zinc/18/29/82/356182982.db2.gz	JGUCLMGHOZZHLL-NTMALXAHSA-N	-1	0	298.368	-0.797	10	10		CBCERM
Nc1ccc(CC(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC000040482529	174286582	/nfs/dbraw/zinc/28/65/82/174286582.db2.gz	KGOWHRYQZKWRML-UHFFFAOYSA-N	-1	0	265.269	-0.872	10	10		CBCERM