smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000013538980	381568522	/nfs/dbraw/zinc/56/85/22/381568522.db2.gz	KHWCHTKSEGGWEX-QYNIQEEDSA-N	-1	2	331.225	-0.834	50	0	in-vitro	EBAALM
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000013538980	381568531	/nfs/dbraw/zinc/56/85/31/381568531.db2.gz	KHWCHTKSEGGWEX-QYNIQEEDSA-N	-1	2	331.225	-0.834	50	0	in-vitro	EBAALM
Cc1ncc(CO)c(C[N@@H+]2CCN(Cc3c[nH]nn3)C[C@H](O)C2)c1O	ZINC000097217640	376513167	/nfs/dbraw/zinc/51/31/67/376513167.db2.gz	KQNQRZLZTPXZJE-AWEZNQCLSA-N	-1	2	348.407	-0.615	50	0		EBAALM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000003869813	375894735	/nfs/dbraw/zinc/89/47/35/375894735.db2.gz	KHWCHTKSEGGWEX-ACZMJKKPSA-N	-1	2	331.225	-0.834	50	0		EBAALM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000003869813	375894742	/nfs/dbraw/zinc/89/47/42/375894742.db2.gz	KHWCHTKSEGGWEX-ACZMJKKPSA-N	-1	2	331.225	-0.834	50	0		EBAALM
CCN1C[C@@]2(C(=O)[O-])CN(C(=O)CCc3cc(=O)[nH]o3)C[C@H]2C1=O	ZINC000072453726	216241126	/nfs/dbraw/zinc/24/11/26/216241126.db2.gz	ONVBWIVEAQZLSX-ZUZCIYMTSA-N	-1	2	337.332	-0.296	50	0		EBAALM
Cc1c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)C2)cnc2cc(=O)[nH]n21	ZINC000299766810	258081714	/nfs/dbraw/zinc/08/17/14/258081714.db2.gz	SEOFUKDFCSISRN-CYBMUJFWSA-N	-1	2	344.419	-0.207	50	0		EBAALM
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000001532626	381590290	/nfs/dbraw/zinc/59/02/90/381590290.db2.gz	KHWCHTKSEGGWEX-VQVTYTSYSA-N	-1	2	331.225	-0.834	50	0	in-vitro	EBAALM
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000001532626	381590301	/nfs/dbraw/zinc/59/03/01/381590301.db2.gz	KHWCHTKSEGGWEX-VQVTYTSYSA-N	-1	2	331.225	-0.834	50	0	in-vitro	EBAALM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000013538982	381568661	/nfs/dbraw/zinc/56/86/61/381568661.db2.gz	KHWCHTKSEGGWEX-XVMARJQXSA-N	-1	2	331.225	-0.834	50	0	in-vitro	EBAALM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000013538982	381568668	/nfs/dbraw/zinc/56/86/68/381568668.db2.gz	KHWCHTKSEGGWEX-XVMARJQXSA-N	-1	2	331.225	-0.834	50	0	in-vitro	EBAALM
O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000013522804	375974067	/nfs/dbraw/zinc/97/40/67/375974067.db2.gz	PHNGFPPXDJJADG-RRKCRQDMSA-N	-1	2	332.209	-0.710	50	0	endogenous,in-man	EBAALM
O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000013522804	375974074	/nfs/dbraw/zinc/97/40/74/375974074.db2.gz	PHNGFPPXDJJADG-RRKCRQDMSA-N	-1	2	332.209	-0.710	50	0	endogenous,in-man	EBAALM
C/C=C/C[N@H+]1CCN(C(=O)C[NH+](C)CCOC)C[C@@H](C(=O)[O-])C1	ZINC000219623870	803757646	/nfs/dbraw/zinc/75/76/46/803757646.db2.gz	OPFJHNOTHQCVTN-NNTXTVRGSA-N	-1	2	327.425	-0.014	50	0		EBAALM
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000001713574	375877611	/nfs/dbraw/zinc/87/76/11/375877611.db2.gz	KHWCHTKSEGGWEX-RRKCRQDMSA-N	-1	2	331.225	-0.834	50	0	endogenous,in-man	EBAALM
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000001713574	375877617	/nfs/dbraw/zinc/87/76/17/375877617.db2.gz	KHWCHTKSEGGWEX-RRKCRQDMSA-N	-1	2	331.225	-0.834	50	0	endogenous,in-man	EBAALM
O=C(C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1)NCc1nn[nH]n1	ZINC000072122233	563966265	/nfs/dbraw/zinc/96/62/65/563966265.db2.gz	AHDSLNZIKRREGV-GFCCVEGCSA-N	-1	2	335.412	-0.413	50	0		EBAALM
O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCc1nn[nH]n1	ZINC000072122233	563966266	/nfs/dbraw/zinc/96/62/66/563966266.db2.gz	AHDSLNZIKRREGV-GFCCVEGCSA-N	-1	2	335.412	-0.413	50	0		EBAALM
C/C=C/C[N@H+]1CCN(C(=O)C[NH+](C)CCOC)C[C@H](C(=O)[O-])C1	ZINC000219623799	803757157	/nfs/dbraw/zinc/75/71/57/803757157.db2.gz	OPFJHNOTHQCVTN-ISZGNANSSA-N	-1	2	327.425	-0.014	50	0		EBAALM
Cc1c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)C2)cnc2cc(=O)[nH]n21	ZINC000299766814	258081342	/nfs/dbraw/zinc/08/13/42/258081342.db2.gz	SEOFUKDFCSISRN-ZDUSSCGKSA-N	-1	2	344.419	-0.207	50	0		EBAALM
O=C(C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1)NCc1nn[nH]n1	ZINC000072122232	563966289	/nfs/dbraw/zinc/96/62/89/563966289.db2.gz	AHDSLNZIKRREGV-LBPRGKRZSA-N	-1	2	335.412	-0.413	50	0		EBAALM
O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCc1nn[nH]n1	ZINC000072122232	563966290	/nfs/dbraw/zinc/96/62/90/563966290.db2.gz	AHDSLNZIKRREGV-LBPRGKRZSA-N	-1	2	335.412	-0.413	50	0		EBAALM