smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000000643247	206820484	/nfs/dbraw/zinc/82/04/84/206820484.db2.gz	AUFUWRKPQLGTGF-ZZVYKPCYSA-N	0	0	370.314	-1.140	1	0		FAAFRN
CC(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O	ZINC000001643003	210364248	/nfs/dbraw/zinc/36/42/48/210364248.db2.gz	QRVPPAUECWYUST-OLZOCXBDSA-N	0	0	366.374	-2.482	1	0		FAAFRN
CC(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O	ZINC000001643004	219413702	/nfs/dbraw/zinc/41/37/02/219413702.db2.gz	QRVPPAUECWYUST-CHWSQXEVSA-N	0	0	366.374	-2.482	1	0		FAAFRN
O=c1[nH]c(=O)n([C@@H]2CO[C@H](CO)[C@H]2CO)cc1I	ZINC000003784789	204110903	/nfs/dbraw/zinc/11/09/03/204110903.db2.gz	LUPGBLWVCWEVAN-UIISKDMLSA-N	0	0	368.127	-1.318	1	0		FAAFRN
Nc1nc(=O)n([C@@H]2CO[C@H](CO)[C@H]2CO)cc1I	ZINC000003784798	204110369	/nfs/dbraw/zinc/11/03/69/204110369.db2.gz	YRDKJMMGGCCMNM-UIISKDMLSA-N	0	0	367.143	-1.029	1	0		FAAFRN
O=c1[nH]c(=O)n([C@@H]2CO[C@H](CO)[C@@H](O)C2)cc1I	ZINC000003805724	204110675	/nfs/dbraw/zinc/11/06/75/204110675.db2.gz	PJDQVZSBWDEYOF-APQOSEDMSA-N	0	0	368.127	-1.176	1	0	in-vitro	FAAFRN
C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO	ZINC000003875158	219528026	/nfs/dbraw/zinc/52/80/26/219528026.db2.gz	GOSWTRUMMSCNCW-LLWISAFXSA-N	0	0	351.363	-1.212	1	0	in-man	FAAFRN
C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO	ZINC000003875160	206992709	/nfs/dbraw/zinc/99/27/09/206992709.db2.gz	GOSWTRUMMSCNCW-IKWPJTTQSA-N	0	0	351.363	-1.212	1	0	in-man	FAAFRN
CC(=O)N[C@H]1[C@H]([C@@H]2OCC[C@@H](O)[C@H]2O)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+]	ZINC000003964977	204116608	/nfs/dbraw/zinc/11/66/08/204116608.db2.gz	OOIWOEACLBJUOV-RDLPQPRLSA-N	0	0	358.351	-2.779	1	0		FAAFRN
COc1cc(/C=C/CO)cc(OC)c1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004095667	204120155	/nfs/dbraw/zinc/12/01/55/204120155.db2.gz	QJVXKWHHAMZTBY-QNHGNZIUSA-N	0	0	372.370	-1.112	1	0	biogenic,in-vitro	FAAFRN
CSC[S@@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000004214329	560197450	/nfs/dbraw/zinc/19/74/50/560197450.db2.gz	XKLZIVIOZDNKEQ-IXBCGMGTSA-N	0	0	361.445	-1.069	1	0	in-vitro	FAAFRN
Nc1ncnc2c1ncn2[C@H]1O[C@@](F)(COS(N)(=O)=O)[C@@H](O)[C@H]1O	ZINC000005606962	560202547	/nfs/dbraw/zinc/20/25/47/560202547.db2.gz	LTBCQBSAWAZBDF-HAYUDISJSA-N	0	0	364.315	-2.455	1	0	in-vitro	FAAFRN
Nc1ncnc2c1ncn2[C@@H]1O[C@@](F)(COS(N)(=O)=O)[C@@H](O)[C@H]1O	ZINC000005606964	560202511	/nfs/dbraw/zinc/20/25/11/560202511.db2.gz	LTBCQBSAWAZBDF-FXUQCPSJSA-N	0	0	364.315	-2.455	1	0	in-vitro	FAAFRN
Nc1ncnc2c1ncn2[C@H]1O[C@@](F)(COS(N)(=O)=O)[C@@H](O)[C@@H]1O	ZINC000005606969	210180152	/nfs/dbraw/zinc/18/01/52/210180152.db2.gz	LTBCQBSAWAZBDF-XYMMMQBSSA-N	0	0	364.315	-2.455	1	0	in-vitro	FAAFRN
Nc1ncnc2c1ncn2[C@@H]1O[C@@](F)(COS(N)(=O)=O)[C@@H](O)[C@@H]1O	ZINC000005606971	204217451	/nfs/dbraw/zinc/21/74/51/204217451.db2.gz	LTBCQBSAWAZBDF-DERVNVNRSA-N	0	0	364.315	-2.455	1	0	in-vitro	FAAFRN
CNC(=O)NCCNC(=O)[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000005648215	207111008	/nfs/dbraw/zinc/11/10/08/207111008.db2.gz	VATFSWIVZWLYSC-LPEHRKFASA-N	0	0	355.351	-2.461	1	0		FAAFRN
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005733290	209492179	/nfs/dbraw/zinc/49/21/79/209492179.db2.gz	SGTCGCCQZOUMJJ-LNNMMNKASA-N	0	0	354.311	-1.020	1	0	in-vitro	FAAFRN
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005733292	560202741	/nfs/dbraw/zinc/20/27/41/560202741.db2.gz	SGTCGCCQZOUMJJ-CWCFIDOXSA-N	0	0	354.311	-1.020	1	0	in-vitro	FAAFRN
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000005733294	206229231	/nfs/dbraw/zinc/22/92/31/206229231.db2.gz	SGTCGCCQZOUMJJ-AMMHQNNLSA-N	0	0	354.311	-1.020	1	0	in-vitro	FAAFRN
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000005733295	206230089	/nfs/dbraw/zinc/23/00/89/206230089.db2.gz	SGTCGCCQZOUMJJ-BPKBQXTESA-N	0	0	354.311	-1.020	1	0	in-vitro	FAAFRN
CC(=O)O[C@H]1[C@H](O)[C@@H]2c3cc4c(cc3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4	ZINC000005858231	207118766	/nfs/dbraw/zinc/11/87/66/207118766.db2.gz	MZSZEFRWURPSJY-JNWWKETESA-N	0	0	351.311	-1.361	1	0		FAAFRN
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ncc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000005975127	560204051	/nfs/dbraw/zinc/20/40/51/560204051.db2.gz	BSAPSHRFTPLHGL-DCAQKATOSA-N	0	0	362.390	-1.808	1	0	in-vitro	FAAFRN
C[C@H]1C(=O)OC[C@@H]2[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21	ZINC000006031875	219710385	/nfs/dbraw/zinc/71/03/85/219710385.db2.gz	RAKWYUWXLTYDQR-LTPIHACHSA-N	0	0	362.375	-2.391	1	0		FAAFRN
COC(=O)/C=C/C(=O)NC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000006482109	560205711	/nfs/dbraw/zinc/20/57/11/560205711.db2.gz	ZDSAILYUAITBJS-FVWNJDPFSA-N	0	0	363.370	-1.029	1	0	in-vitro	FAAFRN
COC(=O)/C=C/C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000006482147	560205733	/nfs/dbraw/zinc/20/57/33/560205733.db2.gz	ZDSAILYUAITBJS-NAISLTENSA-N	0	0	363.370	-1.029	1	0	in-vitro	FAAFRN
O=c1[nH]c(=O)n([C@H]2CO[C@@H](CO)[C@@H](O)C2)cc1I	ZINC000006505190	204250258	/nfs/dbraw/zinc/25/02/58/204250258.db2.gz	PJDQVZSBWDEYOF-DTLFHODZSA-N	0	0	368.127	-1.176	1	0		FAAFRN
CC(C)C[C@H](NC(=O)[C@@H](O)CC(=O)[O-])C(=O)NCCCCNC(N)=[NH2+]	ZINC000011089295	219915284	/nfs/dbraw/zinc/91/52/84/219915284.db2.gz	QPQNJAXBPHVASB-QWRGUYRKSA-N	0	0	359.427	-1.268	1	0	in-vivo	FAAFRN
CN1C(=O)CC[C@H]1c1ccc[n+]([C@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)c1	ZINC000012494774	560212318	/nfs/dbraw/zinc/21/23/18/560212318.db2.gz	XWZCZWKUGIQPJD-VSURQPOISA-O	0	0	353.351	-1.668	1	0	in-vitro	FAAFRN
CO[C@@H]1O[C@@H](COC(=O)CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000013135869	206301168	/nfs/dbraw/zinc/30/11/68/206301168.db2.gz	NWZJNQQHMPANAH-VSYPEIIYSA-N	0	0	351.352	-1.492	1	0		FAAFRN
CO[C@@H]1O[C@H](COC(=O)CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000013135870	206301802	/nfs/dbraw/zinc/30/18/02/206301802.db2.gz	NWZJNQQHMPANAH-BVNKDQMESA-N	0	0	351.352	-1.492	1	0		FAAFRN
COC(=O)C[C@@H]1[C@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H]12	ZINC000013138773	211027112	/nfs/dbraw/zinc/02/71/12/211027112.db2.gz	FIJQHCWDUJPIMZ-RTCAKPBESA-N	0	0	361.303	-1.401	1	0		FAAFRN
CC(=O)N[C@H]1[C@H](C(F)(F)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+]	ZINC000013443804	211033830	/nfs/dbraw/zinc/03/38/30/211033830.db2.gz	UBRVNFMQASHQTM-KDBVAPGDSA-N	0	0	352.294	-2.301	1	0		FAAFRN
CC(=O)N[C@H]1[C@H]([C@@H]2OCCC[C@@H](O)[C@H]2O)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+]	ZINC000013487808	220069333	/nfs/dbraw/zinc/06/93/33/220069333.db2.gz	LFDKEZTWZMJKBO-XAPBCISGSA-N	0	0	372.378	-2.389	1	0		FAAFRN
CC(=O)N[C@H]1[C@H]([C@H]2C[C@@H](O)[C@@H](O)CO2)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+]	ZINC000013487811	211036112	/nfs/dbraw/zinc/03/61/12/211036112.db2.gz	PIBTYJJAYFVZOW-XIIWAEAFSA-N	0	0	358.351	-2.779	1	0		FAAFRN
CC(=O)N[C@H]1[C@H]([C@@H]2C[C@@H](O)[C@@H](O)CO2)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+]	ZINC000013487813	211036281	/nfs/dbraw/zinc/03/62/81/211036281.db2.gz	PIBTYJJAYFVZOW-XMSUVDRLSA-N	0	0	358.351	-2.779	1	0		FAAFRN
C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO	ZINC000013524334	560218540	/nfs/dbraw/zinc/21/85/40/560218540.db2.gz	GOSWTRUMMSCNCW-DEEATKMUSA-N	0	0	351.363	-1.212	1	0	in-vitro	FAAFRN
C/C(=C/CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO	ZINC000013524339	560218603	/nfs/dbraw/zinc/21/86/03/560218603.db2.gz	GOSWTRUMMSCNCW-PIAXMXJYSA-N	0	0	351.363	-1.212	1	0	in-vitro	FAAFRN
CC(=O)Nc1nn(C)c2ncnc3c2c1cn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000013558322	207466857	/nfs/dbraw/zinc/46/68/57/207466857.db2.gz	PFPFKBWRGWEVAN-ORXWAGORSA-N	0	0	362.346	-1.112	1	0		FAAFRN
CC(C)C[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](CC[NH3+])C(=O)[O-]	ZINC000013648970	204540820	/nfs/dbraw/zinc/54/08/20/204540820.db2.gz	APCWUTMJBRRZIT-DCAQKATOSA-N	0	0	360.411	-1.372	1	0		FAAFRN
[NH3+]CCc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)[O-])C(=O)C2)cc1	ZINC000013778014	211057548	/nfs/dbraw/zinc/05/75/48/211057548.db2.gz	KOURPRNCLQXUJV-UHFFFAOYSA-N	0	0	362.386	-1.327	1	0		FAAFRN
CC(=O)NCCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013861516	220097717	/nfs/dbraw/zinc/09/77/17/220097717.db2.gz	GGOVCSJSAPZKEW-AEISUSGSSA-N	0	0	365.350	-2.720	1	0		FAAFRN
[NH3+][C@H](Cc1ccc(O)c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1)C(=O)[O-]	ZINC000014419533	571705846	/nfs/dbraw/zinc/70/58/46/571705846.db2.gz	NIMVDZOWEYJNTR-SXVBAFGRSA-N	0	0	359.331	-2.475	1	0	endogenous,in-man	FAAFRN
[NH3+][C@@H](Cc1ccc(O)c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1)C(=O)[O-]	ZINC000014419535	571705725	/nfs/dbraw/zinc/70/57/25/571705725.db2.gz	NIMVDZOWEYJNTR-GIROLPEWSA-N	0	0	359.331	-2.475	1	0	endogenous,in-man	FAAFRN
[NH3+][C@H](Cc1ccc(O)c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1)C(=O)[O-]	ZINC000014419536	571705832	/nfs/dbraw/zinc/70/58/32/571705832.db2.gz	NIMVDZOWEYJNTR-OCUQVROESA-N	0	0	359.331	-2.475	1	0	endogenous,in-man	FAAFRN
COC(=O)[C@@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2	ZINC000014828124	571725512	/nfs/dbraw/zinc/72/55/12/571725512.db2.gz	BPDHZCGFGOWILW-BMFIFILASA-N	0	0	356.327	-1.729	1	0	endogenous,in-man	FAAFRN
COC(=O)[C@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2	ZINC000014828125	571725619	/nfs/dbraw/zinc/72/56/19/571725619.db2.gz	BPDHZCGFGOWILW-JTHSZJGZSA-N	0	0	356.327	-1.729	1	0	endogenous,in-man	FAAFRN
COC(=O)[C@@]1(O)[C@@H]2C[C@@]3([C@@H](C)C[C@@H](O)[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2	ZINC000014828127	571725419	/nfs/dbraw/zinc/72/54/19/571725419.db2.gz	JTVRXANWSWLMEV-QJODVUBKSA-N	0	0	372.326	-2.758	1	0	endogenous,in-man	FAAFRN
COC(=O)[C@]1(O)[C@@H]2C[C@@]3([C@@H](C)C[C@@H](O)[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2	ZINC000014828129	571725589	/nfs/dbraw/zinc/72/55/89/571725589.db2.gz	JTVRXANWSWLMEV-XCAVTELBSA-N	0	0	372.326	-2.758	1	0	endogenous,in-man	FAAFRN
C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)CO	ZINC000014887413	220134925	/nfs/dbraw/zinc/13/49/25/220134925.db2.gz	GOSWTRUMMSCNCW-BJLRCKOJSA-N	0	0	351.363	-1.212	1	0	endogenous,in-man	FAAFRN
Nc1nc(=O)n([C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)cc1I	ZINC000017130120	220206703	/nfs/dbraw/zinc/20/67/03/220206703.db2.gz	WSMGDSKBIUGCTE-XVFCMESISA-N	0	0	367.143	-1.295	1	0		FAAFRN
COc1nc2c(nc(N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	ZINC000017194148	207616514	/nfs/dbraw/zinc/61/65/14/207616514.db2.gz	MGYXHYCKLVSISM-LFRLGQHFSA-N	0	0	357.323	-3.307	1	0		FAAFRN
CSc1nc2c(nc(N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	ZINC000017194169	207615875	/nfs/dbraw/zinc/61/58/75/207615875.db2.gz	HEHVKLAYARFKRH-LFRLGQHFSA-N	0	0	373.391	-2.594	1	0		FAAFRN
Nc1n[nH]c(=O)c2c1c(Br)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000017196559	207616261	/nfs/dbraw/zinc/61/62/61/207616261.db2.gz	ATWFHNRKSLRLLA-VXQZZKJKSA-N	0	0	361.152	-1.319	1	0		FAAFRN
CC1=C2N3C[C@@H](n4c(=O)n(C)c(=O)n43)[C@@]23CC[C@@H]1n1c(=O)n(C)c(=O)n13	ZINC000017217330	220211983	/nfs/dbraw/zinc/21/19/83/220211983.db2.gz	ATGJSFVWLWGINF-QQXLSSBLSA-N	0	0	359.346	-2.465	1	0		FAAFRN
O=C([O-])C[NH+]1CCN2CCOCCN(CC1)CC[NH+](CC(=O)[O-])CC2	ZINC000022026460	220373854	/nfs/dbraw/zinc/37/38/54/220373854.db2.gz	QCPIANIXKSUROF-UHFFFAOYSA-N	0	0	358.439	-1.593	1	0		FAAFRN
CN1C(=O)CC[C@@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)c1	ZINC000022055135	571740499	/nfs/dbraw/zinc/74/04/99/571740499.db2.gz	XWZCZWKUGIQPJD-MLQQMEQBSA-O	0	0	353.351	-1.668	1	0	endogenous,world	FAAFRN
CN1C(=O)CC[C@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)c1	ZINC000022055143	571740791	/nfs/dbraw/zinc/74/07/91/571740791.db2.gz	XWZCZWKUGIQPJD-DEZIWIFTSA-O	0	0	353.351	-1.668	1	0	endogenous,world	FAAFRN
COC(=O)CN(CC(=O)OC)[C@@H]1C[C@H]1N(CC(=O)OC)CC(=O)OC	ZINC000022595738	220391573	/nfs/dbraw/zinc/39/15/73/220391573.db2.gz	SDOFERIMGRBGOU-GHMZBOCLSA-N	0	0	360.363	-1.577	1	0		FAAFRN
NS(=O)(=O)c1ccc(CCOC(=O)CNCC[NH2+]CC(=O)[O-])cc1	ZINC000022925442	211370013	/nfs/dbraw/zinc/37/00/13/211370013.db2.gz	BKRRUHIWMGGQTB-UHFFFAOYSA-N	0	0	359.404	-1.317	1	0		FAAFRN
[NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026189333	207910936	/nfs/dbraw/zinc/91/09/36/207910936.db2.gz	NZWDWXSWUQCNMG-DCAQKATOSA-N	0	0	358.395	-1.522	1	0		FAAFRN
CC(=O)N[C@@H]1C[C@@H](S[C@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O	ZINC000026275020	220506589	/nfs/dbraw/zinc/50/65/89/220506589.db2.gz	BFMMTAWFEKZTJZ-ZODKTQIJSA-N	0	0	367.420	-2.480	1	0		FAAFRN
Cn1c2c(nc(N)[nH]c2=O)n([C@@H]2O[C@H](CO)[C@H]3OC(C)(C)O[C@H]32)c1=O	ZINC000027106598	220529946	/nfs/dbraw/zinc/52/99/46/220529946.db2.gz	GQZFMSAPXFUTGG-IOSLPCCCSA-N	0	0	353.335	-1.585	1	0		FAAFRN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C([C@@H]3CCN(C(=[NH2+])CNC(N)=O)C3)C[C@H]12	ZINC000027307056	204860735	/nfs/dbraw/zinc/86/07/35/204860735.db2.gz	ZTDVWQPTCGVYML-FWSPBBIJSA-N	0	0	365.390	-1.096	1	0		FAAFRN
CNc1ncnc2c1ncn2[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1O	ZINC000027311855	211462487	/nfs/dbraw/zinc/46/24/87/211462487.db2.gz	BYGOZXJAQQXLNM-KHUVANEUSA-N	0	0	358.380	-1.629	1	0		FAAFRN
CNc1ncnc2c1ncn2[C@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1O	ZINC000027311858	220531193	/nfs/dbraw/zinc/53/11/93/220531193.db2.gz	BYGOZXJAQQXLNM-BKFJMODKSA-N	0	0	358.380	-1.629	1	0		FAAFRN
NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000027637521	220542185	/nfs/dbraw/zinc/54/21/85/220542185.db2.gz	HHRWCHHWBFQVDE-SNVBAGLBSA-N	0	0	357.392	-1.220	1	0		FAAFRN
NC(=O)C[C@H](N)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000028123919	207949381	/nfs/dbraw/zinc/94/93/81/207949381.db2.gz	JWIZNJQOBRITIK-JTQLQIEISA-N	0	0	373.460	-1.930	1	0		FAAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@@H]1n1cnc2c1ncnc2N1CCOCC1	ZINC000028354066	132917879	/nfs/dbraw/zinc/91/78/79/132917879.db2.gz	OWTKPVATQXNRGO-CJIMWGSBSA-N	0	0	351.363	-1.336	1	0		FAAFRN
C[C@@H]([NH3+])[P@](=O)([O-])O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1ncnc2N	ZINC000028951546	204892598	/nfs/dbraw/zinc/89/25/98/204892598.db2.gz	NZGIRQPAAQVTDU-MACXSXHHSA-N	0	0	374.294	-1.466	1	0		FAAFRN
C[C@@H]([NH3+])[P@](=O)([O-])O[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO	ZINC000028951553	519099130	/nfs/dbraw/zinc/09/91/30/519099130.db2.gz	ZFWYOPCOLVBHAT-MACXSXHHSA-N	0	0	374.294	-1.466	1	0		FAAFRN
C/C(=C\c1ccc(N)c(O)c1)C(=O)N[C@H]1[C@@H](O)[C@@H]2OCO[C@@H]2[C@H](O)[C@H]1O	ZINC000029334634	211510709	/nfs/dbraw/zinc/51/07/09/211510709.db2.gz	LCILOZDPDRADKR-OOGFELLVSA-N	0	0	366.370	-1.300	1	0		FAAFRN
O=c1[nH]c(=O)n([C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)cc1I	ZINC000029334757	220601453	/nfs/dbraw/zinc/60/14/53/220601453.db2.gz	RDPHRZPSVMEFPE-XVFCMESISA-N	0	0	368.127	-1.584	1	0		FAAFRN
C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(C)(=O)=O)C(=O)NCC(N)=O	ZINC000029342659	211510157	/nfs/dbraw/zinc/51/01/57/211510157.db2.gz	FXJGZTUOLDEMMN-JQWIXIFHSA-N	0	0	370.431	-1.747	1	0		FAAFRN
COc1nc2c(nc(N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	ZINC000031829731	208017644	/nfs/dbraw/zinc/01/76/44/208017644.db2.gz	MGYXHYCKLVSISM-STKRCZIRSA-N	0	0	357.323	-3.307	1	0		FAAFRN
NC(=O)NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(N)=O	ZINC000031871075	208019399	/nfs/dbraw/zinc/01/93/99/208019399.db2.gz	PKSDWZOTBKOKES-VIFPVBQESA-N	0	0	371.375	-1.497	1	0		FAAFRN
O=C1Nc2ccc(Cl)cc2O[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000032296788	291020753	/nfs/dbraw/zinc/02/07/53/291020753.db2.gz	VMKDFEOKUWRINT-TWTZXXGESA-N	0	0	361.734	-1.187	1	0	biogenic,in-vitro	FAAFRN
CCOC(=O)CNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000033827349	208101037	/nfs/dbraw/zinc/10/10/37/208101037.db2.gz	VZUNMSKYLUGGPY-AEISUSGSSA-N	0	0	366.334	-2.293	1	0		FAAFRN
COC(=O)[C@]1(O)[C@H]2C[C@]3([C@H](C)CC[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2	ZINC000033829774	291019129	/nfs/dbraw/zinc/01/91/29/291019129.db2.gz	BPDHZCGFGOWILW-FTEADFMUSA-N	0	0	356.327	-1.729	1	0	biogenic,in-vitro	FAAFRN
Cc1c(O)c2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OCCC2=O	ZINC000033831811	291020626	/nfs/dbraw/zinc/02/06/26/291020626.db2.gz	LCKJDTHKWOLZDV-LMXXTMHSSA-N	0	0	356.327	-1.155	1	0	biogenic,in-vitro	FAAFRN
[NH3+][C@@H](Cn1ccc(=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)C(=O)[O-]	ZINC000033832814	291020607	/nfs/dbraw/zinc/02/06/07/291020607.db2.gz	YPZZVPSBAOOJGU-OSISFBQUSA-N	0	0	360.319	-3.561	1	0	biogenic,in-vitro	FAAFRN
COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC	ZINC000033834091	291019610	/nfs/dbraw/zinc/01/96/10/291019610.db2.gz	QRWNMJBTANFMHA-VBTGVMJWSA-N	0	0	374.342	-1.331	1	0	biogenic,in-vitro	FAAFRN
C[C@H]1C(=O)OC[C@@H]2[C@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000038321634	291019772	/nfs/dbraw/zinc/01/97/72/291019772.db2.gz	DBLVGADGVDUSHJ-RLIMOHGTSA-N	0	0	362.375	-2.249	1	0	biogenic,in-vitro	FAAFRN
CC(=O)N[C@@H]1C[C@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O	ZINC000038495280	208204436	/nfs/dbraw/zinc/20/44/36/208204436.db2.gz	BFMMTAWFEKZTJZ-ZDZWPIDRSA-N	0	0	367.420	-2.480	1	0		FAAFRN
O=C(NC(=O)c1ccc(Cl)cc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000038965467	208208896	/nfs/dbraw/zinc/20/88/96/208208896.db2.gz	YTUMHTAWGXUOIS-BZNQNGANSA-N	0	0	360.750	-1.421	1	0	in-vitro	FAAFRN
COC(=O)CC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000040368606	220901385	/nfs/dbraw/zinc/90/13/85/220901385.db2.gz	KUHSCFYLDKZRIX-AXFHLTTASA-N	0	0	368.390	-1.821	1	0		FAAFRN
C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000040567085	205071744	/nfs/dbraw/zinc/07/17/44/205071744.db2.gz	YXMVENJLGGMMIL-UWVGGRQHSA-N	0	0	369.378	-2.260	1	0		FAAFRN
[NH3+]CCCC[C@H](NC(=O)CNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-]	ZINC000040567420	205071564	/nfs/dbraw/zinc/07/15/64/205071564.db2.gz	SOOARZNCZONXKL-VIFPVBQESA-N	0	0	355.351	-2.649	1	0		FAAFRN
CC(C)(CON)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000040934974	205085353	/nfs/dbraw/zinc/08/53/53/205085353.db2.gz	HHVYUJFDXMCZRV-IVZWLZJFSA-N	0	0	361.326	-1.216	1	0		FAAFRN
[NH3+][C@@H](CCn1c2c(c(=O)n(CC[C@H]([NH3+])C(=O)[O-])c1=O)CCC2)C(=O)[O-]	ZINC000040952239	208277114	/nfs/dbraw/zinc/27/71/14/208277114.db2.gz	RPYXYQHRAXAOCI-UWVGGRQHSA-N	0	0	354.363	-1.897	1	0		FAAFRN
[NH3+][C@@H](CC(=O)[O-])C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000045370645	205121152	/nfs/dbraw/zinc/12/11/52/205121152.db2.gz	DEMJKVUJSKHPIJ-RBXMUDONSA-N	0	0	361.282	-2.331	1	0		FAAFRN
Nc1ncnc2c1c1c([nH]c(=O)[nH]c1=S)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048998145	205167960	/nfs/dbraw/zinc/16/79/60/205167960.db2.gz	QZZQSZOTLDKXMV-QBDRUXMMSA-N	0	0	366.359	-1.064	1	0		FAAFRN
Nc1ncnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048998607	205167780	/nfs/dbraw/zinc/16/77/80/205167780.db2.gz	PCAZZGMLVCFODV-QBDRUXMMSA-N	0	0	350.291	-2.845	1	0		FAAFRN
Nc1ncnc2c1c1c(nc[nH]c1=S)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048998811	205166999	/nfs/dbraw/zinc/16/69/99/205166999.db2.gz	HSCXLSFQVPWZCH-ZDQQJBFNSA-N	0	0	350.360	-1.143	1	0		FAAFRN
Nc1ncnc2c1c1c(nc[nH]c1=S)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048998813	205167233	/nfs/dbraw/zinc/16/72/33/205167233.db2.gz	HSCXLSFQVPWZCH-ODDSTHBYSA-N	0	0	350.360	-1.143	1	0		FAAFRN
Nc1ncnc2c1c1c([nH]c(=S)[nH]c1=O)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049000201	205167438	/nfs/dbraw/zinc/16/74/38/205167438.db2.gz	RQLJWVFGMWLLHU-QBDRUXMMSA-N	0	0	366.359	-1.064	1	0		FAAFRN
CC(=O)NCCNC(=O)[C@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049014607	205167201	/nfs/dbraw/zinc/16/72/01/205167201.db2.gz	GGOVCSJSAPZKEW-JIXVBMEVSA-N	0	0	365.350	-2.720	1	0		FAAFRN
Nc1nc2c(c(-c3ccccc3)nn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000049016808	211881760	/nfs/dbraw/zinc/88/17/60/211881760.db2.gz	IEIPMLQSTRBHBQ-NBZZCRHSSA-N	0	0	359.342	-1.020	1	0		FAAFRN
Nc1n[nH]c(=O)c2c1c(Br)cn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049017262	208411568	/nfs/dbraw/zinc/41/15/68/208411568.db2.gz	ATWFHNRKSLRLLA-QIDLLAIKSA-N	0	0	361.152	-1.319	1	0		FAAFRN
CSc1nc2c3c(nn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)nn(C)c3n1	ZINC000049109752	208415529	/nfs/dbraw/zinc/41/55/29/208415529.db2.gz	VJCJLBMGANPHAF-LKBRSXORSA-N	0	0	367.391	-1.371	1	0		FAAFRN
Cn1nc(N)c2nn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3[nH]c(=NN)nc1c23	ZINC000049785157	221027751	/nfs/dbraw/zinc/02/77/51/221027751.db2.gz	GKJKDFZJGUVWNR-BBBNYMBOSA-N	0	0	351.327	-2.808	1	0		FAAFRN
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)N2CCOCC2)[C@@H](O)[C@H]1O	ZINC000049793090	221027612	/nfs/dbraw/zinc/02/76/12/221027612.db2.gz	JTFIVVXISJENJT-JIXVBMEVSA-N	0	0	350.335	-2.114	1	0		FAAFRN
CN(C)c1cn2c(nc3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)O)c2=O)[nH]1	ZINC000053151180	221043726	/nfs/dbraw/zinc/04/37/26/221043726.db2.gz	NWJIJLCBVBVONG-ZEJIMRTRSA-N	0	0	364.362	-1.560	1	0		FAAFRN
O=c1ccc2cccc(C3=c4ccc(=O)oc4=CC(O)(O)C3(O)O)c2o1	ZINC000059587863	291021303	/nfs/dbraw/zinc/02/13/03/291021303.db2.gz	AGXBYPOSSBNWQA-UHFFFAOYSA-N	0	0	356.286	-1.899	1	0	biogenic,in-vitro	FAAFRN
C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO	ZINC000062235027	205291206	/nfs/dbraw/zinc/29/12/06/205291206.db2.gz	GOSWTRUMMSCNCW-MLFWJJQPSA-N	0	0	351.363	-1.212	1	0	in-vitro	FAAFRN
CN1c2ccc(N)cc2C(=O)N2C[C@]3(C[C@@H]2C1=O)O[C@H](CO)[C@@H](O)[C@@H]3O	ZINC000066100593	221241349	/nfs/dbraw/zinc/24/13/49/221241349.db2.gz	LWDBTHMBARZOIE-MAKQCAJESA-N	0	0	363.370	-1.689	1	0		FAAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)[NH3+])[C@@H](C)O)C(=O)[O-]	ZINC000066114399	205364350	/nfs/dbraw/zinc/36/43/50/205364350.db2.gz	BKXWOKWUYWQWND-HHKYUTTNSA-N	0	0	360.411	-2.071	1	0		FAAFRN
CN1c2ccc(N)cc2C(=O)N2C[C@@]3(C[C@H]2C1=O)O[C@@H](CO)[C@H](O)[C@H]3O	ZINC000066157476	205363699	/nfs/dbraw/zinc/36/36/99/205363699.db2.gz	LWDBTHMBARZOIE-CKENWRIRSA-N	0	0	363.370	-1.689	1	0		FAAFRN
Cc1cn([C@@H]2[C@@H](O)[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(=O)[nH]c1=O	ZINC000066252113	221242773	/nfs/dbraw/zinc/24/27/73/221242773.db2.gz	AJCWZORLDKFKSA-WYFGTUCQSA-N	0	0	357.363	-1.323	1	0		FAAFRN
Cc1cn([C@H]2[C@@H](O)[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(=O)[nH]c1=O	ZINC000066252114	205365646	/nfs/dbraw/zinc/36/56/46/205365646.db2.gz	AJCWZORLDKFKSA-MIZYBKAJSA-N	0	0	357.363	-1.323	1	0		FAAFRN
Cc1cn([C@@H]2[C@H](O)[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(=O)[nH]c1=O	ZINC000066252118	221242902	/nfs/dbraw/zinc/24/29/02/221242902.db2.gz	AJCWZORLDKFKSA-XNDJQWLSSA-N	0	0	357.363	-1.323	1	0		FAAFRN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1n1cc(F)c(=O)[nH]c1=O	ZINC000066252313	221242873	/nfs/dbraw/zinc/24/28/73/221242873.db2.gz	GWIOCCHOCBYBBK-DKIAZLNASA-N	0	0	361.326	-1.492	1	0		FAAFRN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1n1cc(F)c(=O)[nH]c1=O	ZINC000066252558	221242454	/nfs/dbraw/zinc/24/24/54/221242454.db2.gz	GWIOCCHOCBYBBK-YSSBGUOXSA-N	0	0	361.326	-1.492	1	0		FAAFRN
Cc1cn([C@H]2[C@H](O)[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(=O)[nH]c1=O	ZINC000066259152	221243900	/nfs/dbraw/zinc/24/39/00/221243900.db2.gz	AJCWZORLDKFKSA-BTQIBKBOSA-N	0	0	357.363	-1.323	1	0		FAAFRN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1n1cc(F)c(=O)[nH]c1=O	ZINC000066259352	205365564	/nfs/dbraw/zinc/36/55/64/205365564.db2.gz	GWIOCCHOCBYBBK-REIXXSIJSA-N	0	0	361.326	-1.492	1	0		FAAFRN
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	ZINC000070450916	291019606	/nfs/dbraw/zinc/01/96/06/291019606.db2.gz	SGTCGCCQZOUMJJ-ZIRHEVKLSA-N	0	0	354.311	-1.020	1	0	biogenic,in-vitro	FAAFRN
C[C@]12OC(C)(C)C[C@H](C[C@H]1O)C[C@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000070455158	291019116	/nfs/dbraw/zinc/01/91/16/291019116.db2.gz	FCEAQNQYGJIIMK-VVNGJKDJSA-N	0	0	362.419	-1.100	1	0	biogenic,in-vitro	FAAFRN
C[C@]12CC[C@](O)(CC(C)(C)O1)O[C@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000070455159	291019123	/nfs/dbraw/zinc/01/91/23/291019123.db2.gz	PXJKWCIKLPJREW-BUPIMZPCSA-N	0	0	364.391	-1.414	1	0	biogenic,in-vitro	FAAFRN
O=c1ccc2cc3c(c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2o1)OCC3	ZINC000070455366	291021302	/nfs/dbraw/zinc/02/13/02/291021302.db2.gz	HJPPZONERANSEW-QSDFBURQSA-N	0	0	366.322	-1.093	1	0	biogenic,in-vitro	FAAFRN
O=c1cc(I)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]1	ZINC000071316204	221341124	/nfs/dbraw/zinc/34/11/24/221341124.db2.gz	VQMLFRRSLSUUQW-YXZULKJRSA-N	0	0	372.090	-1.270	1	0		FAAFRN
CC(C)=C[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(=O)O[C@@H]21	ZINC000071340610	221343699	/nfs/dbraw/zinc/34/36/99/221343699.db2.gz	SYRQWOHSFOHYCI-RDRHTQILSA-N	0	0	360.359	-1.922	1	0		FAAFRN
CC(=O)NCCC[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])[C@H](O)[C@H]1CN2C(=O)C[C@H]2O1	ZINC000071758619	210213961	/nfs/dbraw/zinc/21/39/61/210213961.db2.gz	LSRMHWSOHWFVGB-NELYUFSOSA-N	0	0	372.378	-2.883	1	0	in-vitro	FAAFRN
O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@](O)(CO)[C@H]3O)cc2o1	ZINC000085531998	291021301	/nfs/dbraw/zinc/02/13/01/291021301.db2.gz	ADGFIMBCCVARLL-JZYAIQKZSA-N	0	0	354.311	-1.666	1	0	biogenic,in-vitro	FAAFRN
CCc1ccc2[nH]c(CO)c(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)c2c1	ZINC000085569275	291019122	/nfs/dbraw/zinc/01/91/22/291019122.db2.gz	XHRLDZCESMQIGY-CRNXPOROSA-N	0	0	366.346	-1.285	1	0	biogenic,in-vitro	FAAFRN
Nc1nc(=O)n([C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1I	ZINC000095556569	221959360	/nfs/dbraw/zinc/95/93/60/221959360.db2.gz	WSMGDSKBIUGCTE-JBBNEOJLSA-N	0	0	367.143	-1.295	1	0		FAAFRN
Nc1nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)nc(N2CCOCC2)n1	ZINC000095562511	209081130	/nfs/dbraw/zinc/08/11/30/209081130.db2.gz	HOIDXXTXDQMYMD-UHFFFAOYSA-N	0	0	367.391	-1.852	1	0		FAAFRN
C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)[O-]	ZINC000095563727	209081171	/nfs/dbraw/zinc/08/11/71/209081171.db2.gz	VQDVDJQYFIVYCL-JQWIXIFHSA-N	0	0	351.359	-1.195	1	0		FAAFRN
CCOC(=O)Cn1cc(CNC(=O)c2cn(CCOC(C)=O)nn2)nn1	ZINC000095595609	209083657	/nfs/dbraw/zinc/08/36/57/209083657.db2.gz	NOYFYJYZSFRYDX-UHFFFAOYSA-N	0	0	365.350	-1.074	1	0		FAAFRN
COc1cc(CCO)cc(OC)c1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095910730	291019609	/nfs/dbraw/zinc/01/96/09/291019609.db2.gz	PSZXKZGDJMPMIO-XYFZXANASA-N	0	0	360.359	-1.583	1	0	biogenic,in-vitro	FAAFRN
Cc1cc(=O)c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1	ZINC000095911714	291020616	/nfs/dbraw/zinc/02/06/16/291020616.db2.gz	IHKBMBAIVWTELS-XYFZXANASA-N	0	0	354.311	-1.014	1	0	biogenic,in-vitro	FAAFRN
COC(=O)c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1	ZINC000095913699	291019138	/nfs/dbraw/zinc/01/91/38/291019138.db2.gz	APHZSLWUGSUBKQ-VBTGVMJWSA-N	0	0	374.342	-1.331	1	0	biogenic,in-vitro	FAAFRN
[NH3+][C@@H](Cn1ccc(=O)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)C(=O)[O-]	ZINC000095913728	291020630	/nfs/dbraw/zinc/02/06/30/291020630.db2.gz	YPZZVPSBAOOJGU-BIQJUPPZSA-N	0	0	360.319	-3.561	1	0	biogenic,in-vitro	FAAFRN
O=c1ccc2cc(CCO)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1	ZINC000095914299	291021304	/nfs/dbraw/zinc/02/13/04/291021304.db2.gz	GTSYUQDLLWKDJP-USACIQFYSA-N	0	0	368.338	-1.494	1	0	biogenic,in-vitro	FAAFRN
C/C=C(/CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)C1=C(CO)C(=O)OCC1	ZINC000095918831	291017613	/nfs/dbraw/zinc/01/76/13/291017613.db2.gz	OCZCFOPULVPWRC-QPXZGVEFSA-N	0	0	360.359	-2.015	1	0	biogenic,in-vitro	FAAFRN
O=c1ccc2cc3c(c(O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)c2o1)OCC3	ZINC000095919430	291021308	/nfs/dbraw/zinc/02/13/08/291021308.db2.gz	HJPPZONERANSEW-JIFZPGBUSA-N	0	0	366.322	-1.093	1	0	biogenic,in-vitro	FAAFRN
COC(=O)CS(=O)(=O)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000096282326	222110074	/nfs/dbraw/zinc/11/00/74/222110074.db2.gz	HHSHKQSGVMNRMP-IVZWLZJFSA-N	0	0	362.360	-1.919	1	0		FAAFRN
COC(=O)CS(=O)(=O)[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO	ZINC000096282329	205871369	/nfs/dbraw/zinc/87/13/69/205871369.db2.gz	CZGAZGKCSUYXQX-KXUCPTDWSA-N	0	0	362.360	-1.919	1	0		FAAFRN
CC(=O)Oc1ccc(C(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000096282390	222109633	/nfs/dbraw/zinc/10/96/33/222109633.db2.gz	SNDNSVZATMUVDI-XPABHHOTSA-N	0	0	355.343	-1.816	1	0		FAAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1c2ncnc(N)c2c2c1nc(N)[nH]c2=O	ZINC000096910280	222137270	/nfs/dbraw/zinc/13/72/70/222137270.db2.gz	RZJJMNDAGLQOBE-BFVKJHSXSA-N	0	0	363.334	-2.166	1	0		FAAFRN
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1[125I]	ZINC000101646639	222279726	/nfs/dbraw/zinc/27/97/26/222279726.db2.gz	IPVFGAYTKQKGBM-UNLWNXHHSA-N	0	0	370.091	-1.270	1	0		FAAFRN
Nc1c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc(=O)n1-c1ccccc1	ZINC000102029283	209231689	/nfs/dbraw/zinc/23/16/89/209231689.db2.gz	YEDRMRLNGDSGEY-CGEWXTDFSA-N	0	0	359.342	-1.394	1	0		FAAFRN
Nc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc(=O)n1-c1ccccc1	ZINC000102029288	222288476	/nfs/dbraw/zinc/28/84/76/222288476.db2.gz	YEDRMRLNGDSGEY-SDBHATRESA-N	0	0	359.342	-1.394	1	0		FAAFRN
Nc1ccn([C@@H]2O[C@H](CNC(=O)c3cscn3)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000103244639	222328361	/nfs/dbraw/zinc/32/83/61/222328361.db2.gz	DMNKUXKUGQIELX-UGKPPGOTSA-N	0	0	353.360	-1.669	1	0		FAAFRN
CCCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O	ZINC000103299026	209252450	/nfs/dbraw/zinc/25/24/50/209252450.db2.gz	LWXHVFUOAMOHGI-AEISUSGSSA-N	0	0	365.394	-1.014	1	0		FAAFRN
CC(=O)NCCC(=O)Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000169314823	206251013	/nfs/dbraw/zinc/25/10/13/206251013.db2.gz	DTIOLKZLZXNZCX-HOSYDEDBSA-N	0	0	356.335	-2.358	1	0		FAAFRN
NC(=O)[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000169317478	206250232	/nfs/dbraw/zinc/25/02/32/206250232.db2.gz	BHIYFGASPRPVOS-JKUQZMGJSA-N	0	0	367.099	-1.313	1	0		FAAFRN
CNC(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2nc(Cl)nc3N)O[C@@H]1CO	ZINC000169321267	206250362	/nfs/dbraw/zinc/25/03/62/206250362.db2.gz	HVUPMQVNXWWPPG-QYYRPYCUSA-N	0	0	357.758	-1.390	1	0		FAAFRN
Nc1n[nH]c(=O)c2c1c(Br)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000169325086	206249969	/nfs/dbraw/zinc/24/99/69/206249969.db2.gz	CSQKZLMWZHEALD-GKOHAKLSSA-N	0	0	361.152	-1.491	1	0		FAAFRN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](C[NH3+])[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000169339545	206251989	/nfs/dbraw/zinc/25/19/89/206251989.db2.gz	AKGJWRIYHOUJFK-VQPBACBFSA-N	0	0	374.294	-2.077	1	0		FAAFRN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](C[NH3+])[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000169339547	206251430	/nfs/dbraw/zinc/25/14/30/206251430.db2.gz	AKGJWRIYHOUJFK-MACXSXHHSA-N	0	0	374.294	-2.077	1	0		FAAFRN
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000238780454	222914920	/nfs/dbraw/zinc/91/49/20/222914920.db2.gz	SGTCGCCQZOUMJJ-DZQJYWQESA-N	0	0	354.311	-1.020	1	0		FAAFRN
CSc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	ZINC000263596315	210007584	/nfs/dbraw/zinc/00/75/84/210007584.db2.gz	FMYIGYIGNUAPIW-AQAFXTQQSA-N	0	0	358.376	-2.176	1	0		FAAFRN
CSc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(=O)n1C	ZINC000263596316	533078067	/nfs/dbraw/zinc/07/80/67/533078067.db2.gz	FMYIGYIGNUAPIW-HTBHEZIPSA-N	0	0	358.376	-2.176	1	0		FAAFRN
CSc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	ZINC000263596317	210006753	/nfs/dbraw/zinc/00/67/53/210006753.db2.gz	FMYIGYIGNUAPIW-SNWGBXRCSA-N	0	0	358.376	-2.176	1	0		FAAFRN
CSc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)n1C	ZINC000263596318	210007349	/nfs/dbraw/zinc/00/73/49/210007349.db2.gz	FMYIGYIGNUAPIW-XRQWEHNRSA-N	0	0	358.376	-2.176	1	0		FAAFRN
CN1C(=O)CC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000005967121	482534110	/nfs/dbraw/zinc/53/41/10/482534110.db2.gz	XWZCZWKUGIQPJD-LKUTUIMVSA-O	0	0	353.351	-1.668	2	0		FAAFRN
COc1cc2ccc(=O)oc2c(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1O	ZINC000086860244	523058142	/nfs/dbraw/zinc/05/81/42/523058142.db2.gz	CRSFLLTWRCYNNX-MRUKFPOBSA-N	0	0	370.310	-1.314	2	0		FAAFRN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC(F)(F)F)[C@@H](O)[C@H]1O	ZINC000013796785	220094506	/nfs/dbraw/zinc/09/45/06/220094506.db2.gz	YZDMWFGIVFREQG-QMWPFBOUSA-N	0	0	362.268	-1.294	3	0		FAAFRN
CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)COC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000061947210	208602230	/nfs/dbraw/zinc/60/22/30/208602230.db2.gz	RJIQXQFVQBDRLM-DFANHVJVSA-N	0	0	355.391	-1.384	3	0		FAAFRN
CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)COC	ZINC000061947222	212028789	/nfs/dbraw/zinc/02/87/89/212028789.db2.gz	MMDHGTHEVKWBJQ-DFANHVJVSA-N	0	0	355.391	-1.384	3	0		FAAFRN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCS2(=O)=O)[C@@H](O)[C@H]1O	ZINC000061947279	212028780	/nfs/dbraw/zinc/02/87/80/212028780.db2.gz	ZMSKTFLXTKWUES-QYVSTXNMSA-N	0	0	370.391	-1.937	3	0		FAAFRN
O=C([C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)N1CCC(F)(F)CC1	ZINC000095598798	221968127	/nfs/dbraw/zinc/96/81/27/221968127.db2.gz	JQDFOYOLKOJNIP-MIZYBKAJSA-N	0	0	361.301	-1.587	3	0		FAAFRN
CC(C)[C@H](COC=O)NC(=O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000169304231	209516369	/nfs/dbraw/zinc/51/63/69/209516369.db2.gz	DGBZORWIHWFISL-UXXDMNSJSA-N	0	0	370.362	-2.242	3	0		FAAFRN