smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617803	571796646	/nfs/dbraw/zinc/79/66/46/571796646.db2.gz	XMEUQXQNFRSXLF-ZKYQVNSYSA-N	-1	1	317.345	0.084	1	0	endogenous,in-man	DCAFMM
CC[C@H](C[P@](=O)([O-])O)OCCn1cnc2c1ncnc2N	ZINC000072175841	191071527	/nfs/dbraw/zinc/07/15/27/191071527.db2.gz	WCQVFDLLFVDKQO-MRVPVSSYSA-N	-1	1	315.270	0.381	1	0		DCAFMM
C[C@@H](O)[C@@H](N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388394	574418300	/nfs/dbraw/zinc/41/83/00/574418300.db2.gz	XIMIJWQTRCZZSH-AMIZOPFISA-N	-1	1	305.334	0.820	1	0	endogenous,in-vitro	DCAFMM
O=C([O-])[C@H]1CN([C@H](c2ccccc2)[P@@](=O)([O-])O)CC[NH2+]1	ZINC000095614269	185382636	/nfs/dbraw/zinc/38/26/36/185382636.db2.gz	IQVRRMXXZQMFLA-MNOVXSKESA-N	-1	1	300.251	0.221	1	0		DCAFMM
O=C([O-])c1ncc(C(=O)NCc2ccc(F)cc2)c(O)c1O	ZINC000095557014	185379749	/nfs/dbraw/zinc/37/97/49/185379749.db2.gz	MNBWNMFAAQFCNB-UHFFFAOYSA-N	-1	1	306.249	0.848	1	0		DCAFMM
Cc1cc(C(=O)[N-]N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@@H]32)n[nH]1	ZINC000058678438	184126323	/nfs/dbraw/zinc/12/63/23/184126323.db2.gz	HLZWMZMNUGNHBB-BIIZVAEESA-N	-1	1	312.329	0.416	1	0		DCAFMM
C[C@H](O)C(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388581	574418340	/nfs/dbraw/zinc/41/83/40/574418340.db2.gz	RKBHGGFPKKMJSV-KWQFWETISA-N	-1	1	305.334	0.820	1	0	endogenous,in-vitro	DCAFMM
Nc1nc2c(c(=S)[nH]1)NCN2CCOC[P@](=O)([O-])O	ZINC000042923185	183319175	/nfs/dbraw/zinc/31/91/75/183319175.db2.gz	FMFSJYMYNWKBLN-UHFFFAOYSA-N	-1	1	307.272	0.063	1	0		DCAFMM
CC(=O)[N-]C(=O)c1nnn(-c2ccc(C)cc2)c1NC(C)=O	ZINC000020132449	182190883	/nfs/dbraw/zinc/19/08/83/182190883.db2.gz	SLVBDIFXGPDSRQ-UHFFFAOYSA-N	-1	1	301.306	0.810	1	0		DCAFMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000261499112	571863271	/nfs/dbraw/zinc/86/32/71/571863271.db2.gz	XMEUQXQNFRSXLF-QKCSRTOESA-N	-1	1	317.345	0.084	1	0	endogenous,in-vitro	DCAFMM
COc1ccc(/C=c2\[n-]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1	ZINC000004791477	181152393	/nfs/dbraw/zinc/15/23/93/181152393.db2.gz	QMUALMJMQXNBIA-LSQIQBGYSA-N	-1	1	320.348	0.729	1	0		DCAFMM
Cc1cccc([C@H]2CC[C@](C(=O)[O-])([C@@H](O)[C@@H](N)C(=O)[O-])[NH2+]2)c1	ZINC000040980398	183154653	/nfs/dbraw/zinc/15/46/53/183154653.db2.gz	LDRGTHNCTHGCCH-MCYUEQNJSA-N	-1	1	308.334	0.016	1	0		DCAFMM
CCCOc1ccc(N)cc1-c1ncc(-c2nn[n-]n2)c(=O)[nH]1	ZINC000039291404	183016341	/nfs/dbraw/zinc/01/63/41/183016341.db2.gz	ZXWFWNPZBJUFHU-UHFFFAOYSA-N	-1	1	313.321	0.988	1	0		DCAFMM
CCn1c2ccccc2n2cc(C(=O)Nc3nn[n-]n3)nc2c1=O	ZINC000040465236	183071785	/nfs/dbraw/zinc/07/17/85/183071785.db2.gz	LWVCDRMGIVONDW-UHFFFAOYSA-N	-1	1	324.304	0.435	1	0		DCAFMM
COC(=O)[C@@]1(O)c2c(oc3cccc([O-])c3c2=O)C=C[C@H]1O	ZINC000015258121	560229758	/nfs/dbraw/zinc/22/97/58/560229758.db2.gz	HEFOWMGZUBJFBY-BMIGLBTASA-N	-1	1	304.254	0.247	3	0	in-vitro	DCAFMM
O=C([O-])[C@@H]1CN(Cc2ccccc2C[P@@](=O)([O-])O)CC[NH2+]1	ZINC000022934018	182341714	/nfs/dbraw/zinc/34/17/14/182341714.db2.gz	RJZGZYKOSAHEEF-LBPRGKRZSA-N	-1	1	314.278	0.223	1	0		DCAFMM
O=c1[nH]cnc2c1ncn2COCCCC[P@@](=O)([O-])O	ZINC000073198208	191291172	/nfs/dbraw/zinc/29/11/72/191291172.db2.gz	GXPZLPCUNHRXRF-UHFFFAOYSA-N	-1	1	302.227	0.052	1	0		DCAFMM
Nc1nc2c(ncn2CCCCCC[P@](=O)([O-])O)c(=O)[nH]1	ZINC000082150634	192361784	/nfs/dbraw/zinc/36/17/84/192361784.db2.gz	CULYTKHWSUTBGY-UHFFFAOYSA-N	-1	1	315.270	0.440	1	0	in-vitro	DCAFMM
Cc1ccccc1[C@H]1CC[C@](C(=O)[O-])([C@@H](O)[C@@H](N)C(=O)[O-])[NH2+]1	ZINC000040835693	183140042	/nfs/dbraw/zinc/14/00/42/183140042.db2.gz	JWJMCVQGIPNVMQ-MCYUEQNJSA-N	-1	1	308.334	0.016	1	0		DCAFMM
O=c1[nH]cnc2c1ncn2CCCCCC[P@@](=O)([O-])O	ZINC000073198578	191291263	/nfs/dbraw/zinc/29/12/63/191291263.db2.gz	OIDUMCMZUUCAQM-UHFFFAOYSA-N	-1	1	300.255	0.858	1	0		DCAFMM
O=C([O-])[C@H]1CN(Cc2ccccc2C[P@@](=O)([O-])O)CC[NH2+]1	ZINC000022934021	182342046	/nfs/dbraw/zinc/34/20/46/182342046.db2.gz	RJZGZYKOSAHEEF-GFCCVEGCSA-N	-1	1	314.278	0.223	1	0		DCAFMM
COC(=O)[C@@]1(O)c2c([O-])c3c(=O)cc(C)cc-3oc2CC[C@H]1O	ZINC000072107454	191037582	/nfs/dbraw/zinc/03/75/82/191037582.db2.gz	YZMBEUQMDLBCDY-BZNIZROVSA-N	-1	1	320.297	0.475	1	0	in-vitro	DCAFMM
COC(=O)[C@@]1(O)c2c(oc3cc(C)cc([O-])c3c2=O)CC[C@H]1O	ZINC000072107454	191037584	/nfs/dbraw/zinc/03/75/84/191037584.db2.gz	YZMBEUQMDLBCDY-BZNIZROVSA-N	-1	1	320.297	0.475	1	0	in-vitro	DCAFMM
C[C@@H](O)C(NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388571	574418352	/nfs/dbraw/zinc/41/83/52/574418352.db2.gz	RKBHGGFPKKMJSV-LDYMZIIASA-N	-1	1	305.334	0.820	1	0	endogenous,in-vitro	DCAFMM
C[C@]1(CO)Oc2cc3oc(CO)cc([O-])c-3c(=O)c2C[C@H]1O	ZINC000085593600	560065071	/nfs/dbraw/zinc/06/50/71/560065071.db2.gz	FXOAJOJHPXOYTR-IUODEOHRSA-N	-1	1	308.286	0.038	1	0	biogenic,in-vitro	DCAFMM
C[C@]1(CO)Oc2cc3oc(CO)cc(=O)c3c([O-])c2C[C@H]1O	ZINC000085593600	560065073	/nfs/dbraw/zinc/06/50/73/560065073.db2.gz	FXOAJOJHPXOYTR-IUODEOHRSA-N	-1	1	308.286	0.038	1	0	biogenic,in-vitro	DCAFMM
C[C@H](Cn1cnc2c1nc(F)nc2N)OC[P@](=O)([O-])O	ZINC000072178449	191070279	/nfs/dbraw/zinc/07/02/79/191070279.db2.gz	UPNIDJCZEOITGV-RXMQYKEDSA-N	-1	1	305.206	0.088	1	0		DCAFMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617800	571796566	/nfs/dbraw/zinc/79/65/66/571796566.db2.gz	XMEUQXQNFRSXLF-SCDSUCTJSA-N	-1	1	317.345	0.084	1	0	endogenous,in-man	DCAFMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617802	571796697	/nfs/dbraw/zinc/79/66/97/571796697.db2.gz	XMEUQXQNFRSXLF-VHRBIJSZSA-N	-1	1	317.345	0.084	1	0	endogenous,in-man	DCAFMM
O=C([O-])[C@H]1CN([C@@H](c2ccccc2)[P@@](=O)([O-])O)CC[NH2+]1	ZINC000058609140	184125071	/nfs/dbraw/zinc/12/50/71/184125071.db2.gz	IQVRRMXXZQMFLA-GHMZBOCLSA-N	-1	1	300.251	0.221	1	0		DCAFMM
C[C@H](O)C(NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388575	571810812	/nfs/dbraw/zinc/81/08/12/571810812.db2.gz	RKBHGGFPKKMJSV-GZMMTYOYSA-N	-1	1	305.334	0.820	1	0	endogenous,in-vitro	DCAFMM
CC[C@@H](C[P@](=O)([O-])O)OCCn1cnc2c1ncnc2N	ZINC000072175840	191071336	/nfs/dbraw/zinc/07/13/36/191071336.db2.gz	WCQVFDLLFVDKQO-QMMMGPOBSA-N	-1	1	315.270	0.381	1	0		DCAFMM
CN(C)CC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)[O-]	ZINC000043020242	183329037	/nfs/dbraw/zinc/32/90/37/183329037.db2.gz	YGIKKYHERJSWGG-OLZOCXBDSA-N	-1	1	319.361	0.032	1	0		DCAFMM
Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](OC[P@](=O)([O-])O)C1	ZINC000003776212	181045420	/nfs/dbraw/zinc/04/54/20/181045420.db2.gz	XZODRISOVMXWBO-JGVFFNPUSA-N	-1	1	311.238	0.430	1	0		DCAFMM
C[C@H](O)[C@@H](N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388397	571810620	/nfs/dbraw/zinc/81/06/20/571810620.db2.gz	XIMIJWQTRCZZSH-ISVAXAHUSA-N	-1	1	305.334	0.820	1	0	endogenous,in-vitro	DCAFMM
Cn1nc(CC(=O)Nc2nccc(=O)[n-]2)c2ccccc2c1=O	ZINC000096930074	185392286	/nfs/dbraw/zinc/39/22/86/185392286.db2.gz	WNZDTCBAKPBZQK-UHFFFAOYSA-N	-1	1	311.301	0.610	1	0		DCAFMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617801	571796664	/nfs/dbraw/zinc/79/66/64/571796664.db2.gz	XMEUQXQNFRSXLF-MPKXVKKWSA-N	-1	1	317.345	0.084	1	0	endogenous,in-man	DCAFMM
C[C@@H](O)C(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388579	571811141	/nfs/dbraw/zinc/81/11/41/571811141.db2.gz	RKBHGGFPKKMJSV-KCJUWKMLSA-N	-1	1	305.334	0.820	1	0	endogenous,in-vitro	DCAFMM
NC(=O)CC(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388455	574418304	/nfs/dbraw/zinc/41/83/04/574418304.db2.gz	NOFCVAPHBXJKGD-JTQLQIEISA-N	-1	1	318.333	0.314	1	0	endogenous,in-vitro	DCAFMM
NC(=O)CC(NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388452	574418306	/nfs/dbraw/zinc/41/83/06/574418306.db2.gz	NOFCVAPHBXJKGD-SNVBAGLBSA-N	-1	1	318.333	0.314	1	0	endogenous,in-vitro	DCAFMM
C[C@H](O)[C@H](N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388403	571810559	/nfs/dbraw/zinc/81/05/59/571810559.db2.gz	XIMIJWQTRCZZSH-SDBXPKJASA-N	-1	1	305.334	0.820	1	0	endogenous,in-vitro	DCAFMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000261499113	571863233	/nfs/dbraw/zinc/86/32/33/571863233.db2.gz	XMEUQXQNFRSXLF-SUHUHFCYSA-N	-1	1	317.345	0.084	1	0	endogenous,in-vitro	DCAFMM
CC(C)C[C@H](NC(=O)CNc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC000653894752	975620866	/nfs/dbraw/zinc/62/08/66/975620866.db2.gz	BJPBWPCQRHFIGS-QMMMGPOBSA-N	-1	1	306.326	0.332	1	0		DCAFMM
Cc1ccc([C@H]2CC[C@](C(=O)[O-])([C@@H](O)[C@@H](N)C(=O)[O-])[NH2+]2)cc1	ZINC000040933962	183149400	/nfs/dbraw/zinc/14/94/00/183149400.db2.gz	ZXLSVBTYRRIZPN-MCYUEQNJSA-N	-1	1	308.334	0.016	1	0		DCAFMM
C[C@@H](O)[C@H](N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388401	574418276	/nfs/dbraw/zinc/41/82/76/574418276.db2.gz	XIMIJWQTRCZZSH-OQPBUACISA-N	-1	1	305.334	0.820	1	0	endogenous,in-vitro	DCAFMM