smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)S[C@H](C(=O)[O-])[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])S1	ZINC000066077132	205362089	/nfs/dbraw/zinc/36/20/89/205362089.db2.gz	BXKCEIODGKEUNQ-ARDNSNSESA-N	-3	0	351.402	0.459	1	0		FCAFRL
O=c1[nH]cnc2c1ncn2C[C@H]1COC[C@@H]1CC(F)(F)P(=O)([O-])[O-]	ZINC000026673144	581101266	/nfs/dbraw/zinc/10/12/66/581101266.db2.gz	FXZULIFCFHYXFH-YUMQZZPRSA-N	-2	0	364.245	0.543	1	0		FCAFRL
O=C([O-])CC[C@H](NC(=O)CCCNC(=O)NC1CCCCC1)C(=O)[O-]	ZINC000036330583	205010374	/nfs/dbraw/zinc/01/03/74/205010374.db2.gz	FEQRDOCTZDJWCA-LBPRGKRZSA-N	-2	0	357.407	0.833	1	0		FCAFRL
Cn1c(=O)c(C(=O)NCC(=O)[O-])c([O-])c2ccc(-c3cccnc3)nc21	ZINC000103265032	205991702	/nfs/dbraw/zinc/99/17/02/205991702.db2.gz	WSKFHFKKXWLVSR-UHFFFAOYSA-N	-2	0	354.322	0.516	1	0		FCAFRL
O=c1[nH]cnc2c1ncn2C[C@@H]1COC[C@@H]1CC(F)(F)P(=O)([O-])[O-]	ZINC000026673137	581101219	/nfs/dbraw/zinc/10/12/19/581101219.db2.gz	FXZULIFCFHYXFH-JGVFFNPUSA-N	-2	0	364.245	0.543	1	0		FCAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])C(=O)[O-]	ZINC000003938670	206995784	/nfs/dbraw/zinc/99/57/84/206995784.db2.gz	QXWVJRPYHOYHHT-QWRGUYRKSA-N	-3	0	354.315	0.005	1	0	in-vitro	FCAFRL
CC(C)(C)C(=O)COc1ccc(C[C@@H](NC(=O)C(=O)[O-])C(=O)[O-])cc1	ZINC000045373869	208332527	/nfs/dbraw/zinc/33/25/27/208332527.db2.gz	BXSCSWJGAMTYNZ-GFCCVEGCSA-N	-2	0	351.355	0.877	1	0		FCAFRL
Cc1oc2cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])cc2c1C(=O)[O-]	ZINC000043060215	208300605	/nfs/dbraw/zinc/30/06/05/208300605.db2.gz	NVQJZMQZCFUMFO-UHFFFAOYSA-N	-3	0	368.297	0.803	1	0		FCAFRL
CC1=C(C(=O)[O-])N[C@H]([C@H](NC(=O)Cc2cccs2)C(=O)[O-])SC1	ZINC000002043394	206900608	/nfs/dbraw/zinc/90/06/08/206900608.db2.gz	JRYZEMHNDUZNMI-RYUDHWBXSA-N	-2	0	356.425	0.881	1	0	in-vivo	FCAFRL
Cc1cc2ncn([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2cc1C	ZINC000004096538	560194197	/nfs/dbraw/zinc/19/41/97/560194197.db2.gz	ZMRGXEJKZPRBPJ-AAVRWANBSA-N	-2	0	358.287	0.382	1	0	in-vitro	FCAFRL
CC(C)(CO)Cn1c(-c2ccc(P(=O)([O-])[O-])o2)nc2c1ncnc2N	ZINC000040937710	208277380	/nfs/dbraw/zinc/27/73/80/208277380.db2.gz	CYNPKMOWKZEHIR-UHFFFAOYSA-N	-2	0	367.302	0.490	1	0		FCAFRL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@H](C)P(=O)([O-])[O-])c1O	ZINC000002047750	210377461	/nfs/dbraw/zinc/37/74/61/210377461.db2.gz	WHDCJKAOZPBUAY-ZETCQYMHSA-N	-3	0	356.208	0.318	1	0	in-vivo	FCAFRL
O=C([O-])Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(P(=O)([O-])[O-])cn12	ZINC000001909478	210374678	/nfs/dbraw/zinc/37/46/78/210374678.db2.gz	UGRPUAQGGXFABK-UHFFFAOYSA-N	-3	0	361.250	0.024	1	0		FCAFRL
O=C([O-])C[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1Cc2ccccc2OC1=O	ZINC000001642783	210363581	/nfs/dbraw/zinc/36/35/81/210363581.db2.gz	SCGLMVDHEVZHRE-DTWKUNHWSA-N	-2	0	374.271	0.155	1	0		FCAFRL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@@H](C)P(=O)([O-])[O-])c1O	ZINC000002047885	210150074	/nfs/dbraw/zinc/15/00/74/210150074.db2.gz	WHDCJKAOZPBUAY-SSDOTTSWSA-N	-3	0	356.208	0.318	1	0	in-vivo	FCAFRL
Cn1c(=O)c(C(=O)NCC(=O)[O-])c([O-])c2ccc(Br)cc21	ZINC000103265028	222330743	/nfs/dbraw/zinc/33/07/43/222330743.db2.gz	HGAGTLBOGDXJGA-UHFFFAOYSA-N	-2	0	355.144	0.821	1	0		FCAFRL
O=C([O-])[C@H](O)[C@@H](OC(=O)c1cccn1Cc1ccc(F)cc1)C(=O)[O-]	ZINC000064448615	212039451	/nfs/dbraw/zinc/03/94/51/212039451.db2.gz	IPCBESJUUJLJJH-CHWSQXEVSA-N	-2	0	351.286	0.731	1	0		FCAFRL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(CC(=O)[O-])s2)cc1	ZINC000066074357	221239240	/nfs/dbraw/zinc/23/92/40/221239240.db2.gz	MLPKHIZTCNEFGI-UHFFFAOYSA-N	-2	0	356.385	0.924	1	0		FCAFRL
CC1(C)S[C@@H](C(=O)[O-])[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])S1	ZINC000066077125	221240069	/nfs/dbraw/zinc/24/00/69/221240069.db2.gz	BXKCEIODGKEUNQ-UIISKDMLSA-N	-3	0	351.402	0.459	1	0		FCAFRL
CC(=O)N[C@@H](CCC(=O)[O-])[P@@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000096273092	222107698	/nfs/dbraw/zinc/10/76/98/222107698.db2.gz	ZYUHYZCJHIQCIO-RKDXNWHRSA-N	-4	0	353.264	0.149	1	0		FCAFRL
Cc1cc2ncn([C@H]3O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]3O)c2cc1C	ZINC000005930818	560203838	/nfs/dbraw/zinc/20/38/38/560203838.db2.gz	JIABVZWSYKDHDJ-SYQHCUMBSA-N	-2	0	358.287	0.382	1	0	in-vitro	FCAFRL
CC1(C)S[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])[C@H](C(=O)[O-])S1	ZINC000066077124	221240680	/nfs/dbraw/zinc/24/06/80/221240680.db2.gz	BXKCEIODGKEUNQ-APQOSEDMSA-N	-3	0	351.402	0.459	1	0		FCAFRL
CC(=O)N[C@H](CCC(=O)[O-])[P@@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000096273093	222107732	/nfs/dbraw/zinc/10/77/32/222107732.db2.gz	ZYUHYZCJHIQCIO-BDAKNGLRSA-N	-4	0	353.264	0.149	1	0		FCAFRL
O=C([O-])CN/N=c1\n(Cc2ccccc2)c2ccccc2n1C(=O)C(=O)[O-]	ZINC000100900207	222256489	/nfs/dbraw/zinc/25/64/89/222256489.db2.gz	UOVICTJGHCTYEC-CZIZESTLSA-N	-2	0	368.349	0.706	1	0		FCAFRL