smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[P+](CC)(CC)CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1	ZINC000003930396	206996728	/nfs/dbraw/zinc/99/67/28/206996728.db2.gz	LVTLZIONBOXKSP-NRFANRHFSA-O	1	0	351.491	5.869	1	30		FKEFRO
C=CCc1ccccc1OC[C@@H](O)C[NH+](C1CCCCC1)C1CCCCC1	ZINC000004122053	210103992	/nfs/dbraw/zinc/10/39/92/210103992.db2.gz	MLILOCPMFGYBCX-QHCPKHFHSA-N	1	0	371.565	5.122	1	30		FKEFRO
CCN(CC)c1ccc(/C=[NH+]/N(c2ccccc2)c2ccccc2)c(O)c1	ZINC000004867024	520881561	/nfs/dbraw/zinc/88/15/61/520881561.db2.gz	DFRVZIVYWKYYEV-HKOYGPOVSA-N	1	0	359.473	5.411	1	30		FKEFRO
CC(C)Cc1ccc([C@@H](C)/C=C2\CC[C@@H](C[NH+]3CCCCC3)C2=O)cc1	ZINC000005808570	204225950	/nfs/dbraw/zinc/22/59/50/204225950.db2.gz	ZKLVNVLQZNFKHL-UGQBPZGESA-N	1	0	353.550	5.380	1	30		FKEFRO
CC(C)=CCC[C@@H](C)/C=C/C=C(\C)C(=O)CC[C@@H]1CC[N+]2(C)CCCC[C@H]12	ZINC000006002965	717103451	/nfs/dbraw/zinc/10/34/51/717103451.db2.gz	XVHGEQZLPUATNX-NWMNUPINSA-N	1	0	372.617	6.240	1	30		FKEFRO
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[NH+]=C(NCc3ccccc3)CCC[C@@]21C	ZINC000006041560	204234314	/nfs/dbraw/zinc/23/43/14/204234314.db2.gz	VWXYSYATPFJBIX-HBAHCVPVSA-N	1	0	368.609	6.606	1	30		FKEFRO
C=CCc1c2[nH]c3ccccc3c2ccc1OCCC[NH2+]Cc1ccccc1	ZINC000006716366	560206396	/nfs/dbraw/zinc/20/63/96/560206396.db2.gz	UPGXTVJBIFAVHT-UHFFFAOYSA-N	1	0	370.496	5.608	1	30	in-vitro	FKEFRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1	ZINC000013589401	211042586	/nfs/dbraw/zinc/04/25/86/211042586.db2.gz	DCIRDTIBHJXEGG-HDICACEKSA-N	1	0	358.485	5.777	1	30		FKEFRO
C#CC[N@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1	ZINC000013807961	210143340	/nfs/dbraw/zinc/14/33/40/210143340.db2.gz	KEFBOBCOJZZLTJ-UHFFFAOYSA-N	1	0	364.492	5.325	1	30		FKEFRO
CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@H+](CCC)[C@@H]1C2	ZINC000014255113	211088570	/nfs/dbraw/zinc/08/85/70/211088570.db2.gz	QSCQOXMIFSONAX-GGAORHGYSA-N	1	0	372.553	5.044	1	30		FKEFRO
CCC[NH+](CCC)[C@H]1CCC2=C(CCC/C2=N\OCc2ccccc2)C1	ZINC000027410580	211464113	/nfs/dbraw/zinc/46/41/13/211464113.db2.gz	FFMNBPGWAAZQPB-ZGBROZEESA-N	1	0	354.538	5.714	1	30		FKEFRO
CCCCCC[N@H+](C)[C@H](C)Cc1cc(OC)ccc1C#Cc1ccccc1	ZINC000027710845	210162851	/nfs/dbraw/zinc/16/28/51/210162851.db2.gz	RJUJJWQJDHOPPM-OAQYLSRUSA-N	1	0	363.545	5.538	1	30		FKEFRO
C=CC[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21	ZINC000028886495	132374158	/nfs/dbraw/zinc/37/41/58/132374158.db2.gz	MUJYAONABFULTQ-UHFFFAOYSA-N	1	0	359.946	5.595	1	30		FKEFRO
CC(C)[C@@H]1CCC[N@@H+]1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1	ZINC000028901248	204891525	/nfs/dbraw/zinc/89/15/25/204891525.db2.gz	JITCFZZJUPHBRG-SANMLTNESA-N	1	0	368.524	6.041	1	30		FKEFRO
C=C(C[NH2+]CC)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O	ZINC000029225262	210166863	/nfs/dbraw/zinc/16/68/63/210166863.db2.gz	QTDZRBHQQYRERW-VQTJNVASSA-N	1	0	357.538	5.436	1	30		FKEFRO
CCCCCCCCCOC(=O)[C@@H]1C[N@H+](CC)CC=C1c1ccccc1	ZINC000034802091	208110867	/nfs/dbraw/zinc/11/08/67/208110867.db2.gz	LOZFSJRXJHXNTK-JOCHJYFZSA-N	1	0	357.538	5.316	1	30		FKEFRO
CCCCCCCCCCOC(=O)[C@H]1C[N@H+](CC)CC=C1c1ccccc1	ZINC000034802096	208110526	/nfs/dbraw/zinc/11/05/26/208110526.db2.gz	RNRYJWQFMOEPCM-QHCPKHFHSA-N	1	0	371.565	5.706	1	30		FKEFRO
CCCCCCCCCCCCCCCC[C@]1(O)C[N+](C)(C)CCO1	ZINC000036079850	717125353	/nfs/dbraw/zinc/12/53/53/717125353.db2.gz	YEQJDGNZWPTPII-JOCHJYFZSA-N	1	0	356.615	5.653	1	30		FKEFRO
CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1	ZINC000036079851	717125218	/nfs/dbraw/zinc/12/52/18/717125218.db2.gz	YEQJDGNZWPTPII-QFIPXVFZSA-N	1	0	356.615	5.653	1	30		FKEFRO
CCCCCCCCCCCCCCCC(=O)C[N+](C)(C)CCCO	ZINC000036079854	717125280	/nfs/dbraw/zinc/12/52/80/717125280.db2.gz	ULASTJITXGDABY-UHFFFAOYSA-N	1	0	356.615	5.496	1	30		FKEFRO
CCCCCCCCCCCCCCC[C@]1(OC)C[N+](C)(C)CCO1	ZINC000036079859	717125288	/nfs/dbraw/zinc/12/52/88/717125288.db2.gz	FWFTYMIKNWJPDS-JOCHJYFZSA-N	1	0	356.615	5.917	1	30		FKEFRO
CCCCCCCCCCCCCCC[C@@]1(OC)C[N+](C)(C)CCO1	ZINC000036079860	717125021	/nfs/dbraw/zinc/12/50/21/717125021.db2.gz	FWFTYMIKNWJPDS-QFIPXVFZSA-N	1	0	356.615	5.917	1	30		FKEFRO
CCCCCCCCCCCCCCCCC[C@]1(O)C[N+](C)(C)CCO1	ZINC000036079861	717125285	/nfs/dbraw/zinc/12/52/85/717125285.db2.gz	XJAQZUGYACCSJN-HSZRJFAPSA-N	1	0	370.642	6.043	1	30		FKEFRO
CCCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1	ZINC000036079862	717125343	/nfs/dbraw/zinc/12/53/43/717125343.db2.gz	XJAQZUGYACCSJN-QHCPKHFHSA-N	1	0	370.642	6.043	1	30		FKEFRO
CCCCCCC/[NH+]=c1\ccn(Cc2ccccc2)c2cc(Cl)ccc21	ZINC000036080437	205003065	/nfs/dbraw/zinc/00/30/65/205003065.db2.gz	RBWFLERLKXGCJS-YYDJUVGSSA-N	1	0	366.936	6.214	1	30		FKEFRO
CCCCCCC[C@H]([NH3+])Cc1ccc(OC)c(OCCc2ccccc2)c1	ZINC000036126881	205006495	/nfs/dbraw/zinc/00/64/95/205006495.db2.gz	XLJHMPLBBIWHFJ-QFIPXVFZSA-N	1	0	369.549	5.547	1	30		FKEFRO
O/N=C1\CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2	ZINC000036408354	208163430	/nfs/dbraw/zinc/16/34/30/208163430.db2.gz	KUGSWYUYGMFUIN-AWUJALMSSA-N	1	0	374.528	5.423	1	30		FKEFRO
CCCCCCCCCCCCCC[C@H](C[NH3+])NC(=O)OC(C)(C)C	ZINC000038152013	205038030	/nfs/dbraw/zinc/03/80/30/205038030.db2.gz	WFHLXOBAUMFTBL-LJQANCHMSA-N	1	0	356.595	5.930	1	30		FKEFRO
CCCCCCCc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000038153024	208197879	/nfs/dbraw/zinc/19/78/79/208197879.db2.gz	WJHCVNOETGMLHQ-UHFFFAOYSA-N	1	0	368.524	7.645	1	30		FKEFRO
CCCCCCCCCCCCCCCCCCCCC([NH3+])(CO)CO	ZINC000038154238	208198396	/nfs/dbraw/zinc/19/83/96/208198396.db2.gz	QVVLIPFVCINIAE-UHFFFAOYSA-N	1	0	371.650	6.100	1	30		FKEFRO
CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCO	ZINC000038158619	205039871	/nfs/dbraw/zinc/03/98/71/205039871.db2.gz	NMMKAJYJVUJFPT-UHFFFAOYSA-N	1	0	370.686	7.097	1	30		FKEFRO
CC[N+]1(C)[C@@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000038320293	717126038	/nfs/dbraw/zinc/12/60/38/717126038.db2.gz	KVABVPFNUZZHGO-BBPRHSGNSA-N	1	0	359.537	5.294	1	30		FKEFRO
CCC[N+]1(C)[C@@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000038347707	717126339	/nfs/dbraw/zinc/12/63/39/717126339.db2.gz	LNLHXQQVDKSMLL-CNXJLTEQSA-N	1	0	373.564	5.684	1	30		FKEFRO
CCC[NH+](CCC)[C@H]1CCC2=C(CCC/C2=N\OC(=O)c2ccccc2)C1	ZINC000038825324	220858825	/nfs/dbraw/zinc/85/88/25/220858825.db2.gz	DFHJGWUDXWMIOD-YVURAWIMSA-N	1	0	368.521	5.354	1	30		FKEFRO
CCC[NH+](CCC)[C@@H]1CCC2=C(CCC/C2=N\OC(=O)c2ccccc2)C1	ZINC000040709789	208263030	/nfs/dbraw/zinc/26/30/30/208263030.db2.gz	DFHJGWUDXWMIOD-ATGHGOICSA-N	1	0	368.521	5.354	1	30		FKEFRO
O/N=C1\CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040762226	220922057	/nfs/dbraw/zinc/92/20/57/220922057.db2.gz	UVRVZIONWIGDLH-IFTMEHCPSA-N	1	0	360.501	5.033	1	30		FKEFRO
O/N=C1\CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040767081	208267834	/nfs/dbraw/zinc/26/78/34/208267834.db2.gz	KUGSWYUYGMFUIN-PTBHZFRASA-N	1	0	374.528	5.423	1	30		FKEFRO
O/N=C1\CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040767084	211759269	/nfs/dbraw/zinc/75/92/69/211759269.db2.gz	KUGSWYUYGMFUIN-BOIHGQTQSA-N	1	0	374.528	5.423	1	30		FKEFRO
CCCCCCCCCCCC[NH+]=c1ccn(Cc2ccccc2)cc1	ZINC000042990074	208297984	/nfs/dbraw/zinc/29/79/84/208297984.db2.gz	GTXRNGRCDVQAPA-UHFFFAOYSA-N	1	0	352.566	6.358	1	30		FKEFRO
c1ccc(CON=C2C[C@H](c3ccccc3)[NH2+][C@H](c3ccccc3)C2)cc1	ZINC000043012059	205099828	/nfs/dbraw/zinc/09/98/28/205099828.db2.gz	QKSDKDVJNVRIHB-PSWAGMNNSA-N	1	0	356.469	5.425	1	30		FKEFRO
c1ccc(CON=C2C[C@@H](c3ccccc3)[NH2+][C@H](c3ccccc3)C2)cc1	ZINC000043012062	208301164	/nfs/dbraw/zinc/30/11/64/208301164.db2.gz	QKSDKDVJNVRIHB-ZEQRLZLVSA-N	1	0	356.469	5.425	1	30		FKEFRO
c1ccc(CON=C2C[C@H](c3ccccc3)[NH2+][C@@H](c3ccccc3)C2)cc1	ZINC000043012065	208299801	/nfs/dbraw/zinc/29/98/01/208299801.db2.gz	QKSDKDVJNVRIHB-DNQXCXABSA-N	1	0	356.469	5.425	1	30		FKEFRO
C=CCn1c2[nH+]c(N(C)C)cc(N)c2c(-c2ccccc2)c1-c1ccccc1	ZINC000043014407	206661524	/nfs/dbraw/zinc/66/15/24/206661524.db2.gz	FINVHDMSDASWIP-UHFFFAOYSA-N	1	0	368.484	5.205	1	30		FKEFRO
C[C@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000043064455	208301502	/nfs/dbraw/zinc/30/15/02/208301502.db2.gz	YNCUBWWVYADNTK-KKZXPTJSSA-N	1	0	370.496	5.671	1	30		FKEFRO
C=CC(=O)OCC[N+](C)(C)CCCCCCCCCCCCCCCC	ZINC000043070739	717128501	/nfs/dbraw/zinc/12/85/01/717128501.db2.gz	FEIUCFRJDGWQSV-UHFFFAOYSA-N	1	0	368.626	6.273	1	30		FKEFRO
CCCCCCCCCCCCCCCCSCC[N+](C)(C)CCO	ZINC000043226456	211789291	/nfs/dbraw/zinc/78/92/91/211789291.db2.gz	DBIPJZSEASPOLC-UHFFFAOYSA-N	1	0	374.699	6.270	1	30		FKEFRO
CCCCCCCCCCCCCC[NH2+][C@H](CO)[C@H](O)c1ccccc1	ZINC000043649125	208307964	/nfs/dbraw/zinc/30/79/64/208307964.db2.gz	WXJXXPQZZWXSSM-DHIUTWEWSA-N	1	0	363.586	5.372	1	30		FKEFRO
CCCCCCC[N+](CC)(CC)C/C=C\Cc1cccc(Cl)c1Cl	ZINC000043705995	717129549	/nfs/dbraw/zinc/12/95/49/717129549.db2.gz	JMSJPIPEOFLODN-BENRWUELSA-N	1	0	371.416	6.919	1	30		FKEFRO
CCCCCCCCCC[N+](C)(C)CCCCCCCCCCCS	ZINC000044430602	220956851	/nfs/dbraw/zinc/95/68/51/220956851.db2.gz	NACXIFUOYUDAJZ-UHFFFAOYSA-O	1	0	372.727	7.644	1	30		FKEFRO
Nc1nc(-c2ccccc2)c(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1	ZINC000045366286	208331687	/nfs/dbraw/zinc/33/16/87/208331687.db2.gz	RUVPDUPZCOCLCT-MFKUBSTISA-N	1	0	372.859	5.335	1	30		FKEFRO
CON=C1[C@@H]2CC(C)C[C@H]1[C@@H](c1ccc(F)cc1)[NH2+][C@@H]2c1ccc(F)cc1	ZINC000049033789	205167243	/nfs/dbraw/zinc/16/72/43/205167243.db2.gz	SMZOFVGUOFNQSQ-LMFASAPVSA-N	1	0	370.443	5.015	1	30		FKEFRO
CON=C1[C@@H]2CC(C)C[C@H]1[C@@H](c1cccc(F)c1)[NH2+][C@@H]2c1cccc(F)c1	ZINC000049033847	205166952	/nfs/dbraw/zinc/16/69/52/205166952.db2.gz	IDVQFEASHNUUHC-LMFASAPVSA-N	1	0	370.443	5.015	1	30		FKEFRO
C[N@H+]1[C@@H]2CC[C@H]1CC(=NO[C@@H](Cc1ccccc1)c1ccc(Cl)cc1)C2	ZINC000049035604	221017618	/nfs/dbraw/zinc/01/76/18/221017618.db2.gz	DYSNSNPTBCOPJB-BDTNDASRSA-N	1	0	368.908	5.253	1	30		FKEFRO
C=CC[C@H]1C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC[N@H+]1C	ZINC000049113398	221019432	/nfs/dbraw/zinc/01/94/32/221019432.db2.gz	MHROCVUJKBEOQM-NRFANRHFSA-N	1	0	373.475	5.546	1	30		FKEFRO
C=CC[C@@H]1C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC[N@H+]1C	ZINC000049113400	221019096	/nfs/dbraw/zinc/01/90/96/221019096.db2.gz	MHROCVUJKBEOQM-OAQYLSRUSA-N	1	0	373.475	5.546	1	30		FKEFRO
C[N@H+]1[C@@H]2CC[C@H]1CC(=NO[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C2	ZINC000049525767	221025069	/nfs/dbraw/zinc/02/50/69/221025069.db2.gz	XIMUYEKYRAKSDP-BDTNDASRSA-N	1	0	368.908	5.253	1	30		FKEFRO
CCCCCCCCCCCCCCCC[N+]1(C)CCCCCCC1	ZINC000049680319	717129954	/nfs/dbraw/zinc/12/99/54/717129954.db2.gz	DKXRSRKLNOBZQN-UHFFFAOYSA-N	1	0	352.671	7.878	1	30		FKEFRO
CCCCCCCC[NH+]1CCC2(CC1)O[C@@H](CCCF)c1ccccc12	ZINC000049695510	208422495	/nfs/dbraw/zinc/42/24/95/208422495.db2.gz	ZWCDRAZLDQFJFS-QFIPXVFZSA-N	1	0	361.545	6.159	1	30		FKEFRO
C[C@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000058655366	205276867	/nfs/dbraw/zinc/27/68/67/205276867.db2.gz	YNCUBWWVYADNTK-NXMVVPIOSA-N	1	0	370.496	5.671	1	30		FKEFRO
CCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1	ZINC000059585232	717131343	/nfs/dbraw/zinc/13/13/43/717131343.db2.gz	RZTDURBNLDNTQU-UHFFFAOYSA-N	1	0	373.432	7.491	1	30		FKEFRO
C=CC[C@](C)([NH3+])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000064436296	221145732	/nfs/dbraw/zinc/14/57/32/221145732.db2.gz	SIXOZLLJMVGYIE-OPKHLUCYSA-N	1	0	357.582	5.220	1	30		FKEFRO
C=C[C@@H](C)[C@@](C)([NH3+])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000064436569	206698967	/nfs/dbraw/zinc/69/89/67/206698967.db2.gz	IKTLSRHNGRWPJH-DZCCQZJSSA-N	1	0	371.609	5.466	1	30		FKEFRO
CCCCCCCC[n+]1c(-c2cccc3ccccc32)cn2cccnc21	ZINC000066103362	208695408	/nfs/dbraw/zinc/69/54/08/208695408.db2.gz	BXKLIMFHEIQENX-UHFFFAOYSA-N	1	0	358.509	5.803	1	30		FKEFRO
CCCCCCCCCCCCCCn1c(N)[nH+]cc1-c1ccccc1	ZINC000066112469	205363576	/nfs/dbraw/zinc/36/35/76/205363576.db2.gz	HIZMUQYBHNKJPE-UHFFFAOYSA-N	1	0	355.570	6.833	1	30		FKEFRO
CCCCCCCCCn1c(N)[nH+]cc1-c1ccc(-c2ccccc2)cc1	ZINC000066113379	221241963	/nfs/dbraw/zinc/24/19/63/221241963.db2.gz	MYQHKXHSIXCGHM-UHFFFAOYSA-N	1	0	361.533	6.550	1	30		FKEFRO
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1ccccc1C)[N@@H+](C)[C@H]2c1ccccc1C	ZINC000071319237	221342537	/nfs/dbraw/zinc/34/25/37/221342537.db2.gz	KUFZPJLVXRENOA-GXSHZHGVSA-N	1	0	362.517	5.450	1	30		FKEFRO
CCCCCCCCCCCCCCCC(=O)N1CC[N+](C)(CC)CC1	ZINC000072104854	717133851	/nfs/dbraw/zinc/13/38/51/717133851.db2.gz	BEMKWZUTVHJDTF-UHFFFAOYSA-N	1	0	367.642	5.776	1	30		FKEFRO
CCCCCCCCCCCCCCOc1ccc(C[N+](C)(C)C)cc1	ZINC000072106805	717133812	/nfs/dbraw/zinc/13/38/12/717133812.db2.gz	UUMQRTYHVBXFOU-UHFFFAOYSA-N	1	0	362.622	6.973	1	30		FKEFRO
CCCCCCCCCCn1cc[n+](C2c3ccccc3-c3ccccc32)c1	ZINC000072112183	221406738	/nfs/dbraw/zinc/40/67/38/221406738.db2.gz	QIBIZMPCUSVDPT-UHFFFAOYSA-N	1	0	373.564	6.534	1	30		FKEFRO
CCCCCCCCc1ccc(-c2cccc(N3CC[NH2+]CC3)n2)cc1	ZINC000073198822	534986235	/nfs/dbraw/zinc/98/62/35/534986235.db2.gz	JNVAVFCWJLIDCC-UHFFFAOYSA-N	1	0	351.538	5.061	1	30		FKEFRO
C=CC[N+]1(C)[C@@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000084619554	717136002	/nfs/dbraw/zinc/13/60/02/717136002.db2.gz	XWHJREUWFMMSHD-CNXJLTEQSA-N	1	0	371.548	5.460	1	30		FKEFRO
CCCCCCCCCCCCn1cc(C[N+](C)(C)C)c2ccccc21	ZINC000084671424	717135807	/nfs/dbraw/zinc/13/58/07/717135807.db2.gz	PQIWDURNVWVQLI-UHFFFAOYSA-N	1	0	357.606	6.768	1	30		FKEFRO
CCCCCCCCCCn1cc(CCC[N+](C)(C)C)c2ccccc21	ZINC000084671449	717135729	/nfs/dbraw/zinc/13/57/29/717135729.db2.gz	FEAHUGCTZYFNNR-UHFFFAOYSA-N	1	0	357.606	6.421	1	30		FKEFRO
C=C[C@H]1C[N@H+](CCCCC)CC[C@H]1CCC(=O)c1ccnc2ccccc21	ZINC000084672189	210234855	/nfs/dbraw/zinc/23/48/55/210234855.db2.gz	ANSINOAZEDRIJK-VQTJNVASSA-N	1	0	364.533	5.512	1	30		FKEFRO
C=C[C@H]1C[N@H+](CCCC)CC[C@H]1CCC(=O)c1ccnc2ccccc21	ZINC000084687529	206804463	/nfs/dbraw/zinc/80/44/63/206804463.db2.gz	SRKGSQTUEVOKPT-RBUKOAKNSA-N	1	0	350.506	5.122	1	30		FKEFRO
CCCCCCCCCCCCn1cc(CC[N+](C)(C)C)c2ccccc21	ZINC000084708205	717135819	/nfs/dbraw/zinc/13/58/19/717135819.db2.gz	HUIJXQZKUIMTDR-UHFFFAOYSA-N	1	0	371.633	6.811	1	30		FKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC(C34C=C[C@H]5CC[C@@H](C=C3)C5(C)[NH2+]4)=CC(C)=C2C1	ZINC000085550139	291085598	/nfs/dbraw/zinc/08/55/98/291085598.db2.gz	BXGIBPZRFLGZCR-TVRSJJTGSA-N	1	0	361.573	6.268	1	30	biogenic,in-vitro	FKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@H]5CC[C@@H](CC3)[C@@]5(C)[NH2+]4)=CC(C)=C2C1	ZINC000085550149	291085601	/nfs/dbraw/zinc/08/56/01/291085601.db2.gz	FNBQIAPRYNPZHU-PIYPCEHGSA-N	1	0	363.589	6.492	1	30	biogenic,in-vitro	FKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC(C[NH2+][C@]3(C)CCC[C@H]3CCCO)=CC(C)=C2C1	ZINC000085550164	291085608	/nfs/dbraw/zinc/08/56/08/291085608.db2.gz	ILPMMOFUNUDHKX-BPJRBCGYSA-N	1	0	371.609	5.936	1	30	biogenic,in-vitro	FKEFRO
C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C(C[NH2+]C3(C)CCCC3)C23CCCC3)C1	ZINC000085550173	291085604	/nfs/dbraw/zinc/08/56/04/291085604.db2.gz	RJOBPFMLZQOVBA-PXDATVDWSA-N	1	0	367.621	7.108	1	30	biogenic,in-vitro	FKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC(C[NH2+][C@@]3(C)CCC4(CCCC4)C3)=CC(C)=C2C1	ZINC000085550189	291085607	/nfs/dbraw/zinc/08/56/07/291085607.db2.gz	FRBUDINKNCDAJQ-VJTSUQJLSA-N	1	0	367.621	7.108	1	30	biogenic,in-vitro	FKEFRO
CC#Cc1ccc(-c2ccc(C(=O)C3CCC(C[NH2+]C)CC3)s2)s1	ZINC000085592365	291086183	/nfs/dbraw/zinc/08/61/83/291086183.db2.gz	NBWWUGBWOQTFHE-UHFFFAOYSA-N	1	0	357.544	5.057	1	30	biogenic,in-vitro	FKEFRO
C=CCn1c[n+]([C@H](c2cc3ccccc3o2)c2ccccc2)c2ccccc21	ZINC000095586316	206692893	/nfs/dbraw/zinc/69/28/93/206692893.db2.gz	PNUNMLCZSXZJAA-VWLOTQADSA-N	1	0	365.456	5.499	1	30		FKEFRO
CCCCCCCCCCCCCC(=O)Nc1ccc([N+](C)(C)C)cc1	ZINC000095595925	717139173	/nfs/dbraw/zinc/13/91/73/717139173.db2.gz	LRRDJQPCDWUBHZ-UHFFFAOYSA-O	1	0	361.594	6.523	1	30		FKEFRO
CCCCCCCCCCCCCCCC(=O)N1CCC[N+](C)(C)CC1	ZINC000095596932	717139276	/nfs/dbraw/zinc/13/92/76/717139276.db2.gz	KNAWDHVXZNFBNY-UHFFFAOYSA-N	1	0	367.642	5.776	1	30		FKEFRO
CCCCCCCCCCCCCC(=O)N(C)CC[N+](CC)(CC)CC	ZINC000096906270	717141537	/nfs/dbraw/zinc/14/15/37/717141537.db2.gz	KSYIUPMBSRNZAX-UHFFFAOYSA-N	1	0	369.658	6.022	1	30		FKEFRO
C=CC[N+](C)(C)CCCN(C)C(=O)CCCCCCCCCCCCC	ZINC000096906273	205885474	/nfs/dbraw/zinc/88/54/74/205885474.db2.gz	HQQAXPQIZCSUSK-UHFFFAOYSA-N	1	0	367.642	5.798	1	30		FKEFRO
CCCCCCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)C	ZINC000096906275	222137275	/nfs/dbraw/zinc/13/72/75/222137275.db2.gz	ICDOJNPCPHBTJM-UHFFFAOYSA-N	1	0	355.631	5.632	1	30		FKEFRO
CCCCCCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC	ZINC000096906276	222137893	/nfs/dbraw/zinc/13/78/93/222137893.db2.gz	XSVWQYRHOQUIEF-UHFFFAOYSA-N	1	0	369.658	6.022	1	30		FKEFRO
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C	ZINC000096906280	209160950	/nfs/dbraw/zinc/16/09/50/209160950.db2.gz	OJEDLJOFFJSLLI-UHFFFAOYSA-O	1	0	355.631	5.680	1	30		FKEFRO
CCCCCCCCCCCCCCCC(=O)N(C)CCC[N+](C)(C)C	ZINC000096906281	205885525	/nfs/dbraw/zinc/88/55/25/205885525.db2.gz	SPXSHQGSQZVZDZ-UHFFFAOYSA-N	1	0	369.658	6.022	1	30		FKEFRO
CCCCCCCCCCCCCC(=O)NCC(C)(C)C[N+](C)(C)C	ZINC000096906287	222137307	/nfs/dbraw/zinc/13/73/07/222137307.db2.gz	FMALMVOFCYUYTM-UHFFFAOYSA-O	1	0	355.631	5.536	1	30		FKEFRO
CCCCCCCCn1c2ccccc2c2cc[n+](Cc3ccccc3)cc21	ZINC000096922763	209161265	/nfs/dbraw/zinc/16/12/65/209161265.db2.gz	JIBYHYGLRJEKDE-UHFFFAOYSA-N	1	0	371.548	6.491	1	30		FKEFRO
C=CC[N+](C)(C)CCN(C)C(=O)CCCCCCCCCCCCC	ZINC000096932784	209162657	/nfs/dbraw/zinc/16/26/57/209162657.db2.gz	YJFPPEATRMDSFZ-UHFFFAOYSA-N	1	0	353.615	5.408	1	30		FKEFRO
CCCCC[NH+](CCCCC)CCCNC1=CC(=O)C(=O)c2ccccc21	ZINC000100951706	209220068	/nfs/dbraw/zinc/22/00/68/209220068.db2.gz	IWSMAFKUXRNKCF-FLFQWRMESA-N	1	0	370.537	5.186	1	30		FKEFRO
CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000101460523	717144784	/nfs/dbraw/zinc/14/47/84/717144784.db2.gz	ARWSHRKSIHBQCG-PLQXJYEYSA-N	1	0	358.634	7.102	1	30		FKEFRO
CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)C(C)C)CC2)cc1	ZINC000101460524	717144822	/nfs/dbraw/zinc/14/48/22/717144822.db2.gz	MMHMNBIZCXRPHS-PLQXJYEYSA-N	1	0	358.634	7.101	1	30		FKEFRO
CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCO)CC2)cc1	ZINC000101460528	222275661	/nfs/dbraw/zinc/27/56/61/222275661.db2.gz	NTNMKHVTKXMICS-PSWAGMNNSA-N	1	0	360.606	5.685	1	30		FKEFRO
CCC[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505017	717145154	/nfs/dbraw/zinc/14/51/54/717145154.db2.gz	LNLHXQQVDKSMLL-WLIHWCKTSA-N	1	0	373.564	5.684	1	30		FKEFRO
CCC[N+]1(C)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505018	717145177	/nfs/dbraw/zinc/14/51/77/717145177.db2.gz	LNLHXQQVDKSMLL-PGTVFPJISA-N	1	0	373.564	5.684	1	30		FKEFRO
CC[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505055	717145151	/nfs/dbraw/zinc/14/51/51/717145151.db2.gz	KVABVPFNUZZHGO-NPJOHQOCSA-N	1	0	359.537	5.294	1	30		FKEFRO
CC[N+]1(C)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505056	717145130	/nfs/dbraw/zinc/14/51/30/717145130.db2.gz	KVABVPFNUZZHGO-QGEKHRGOSA-N	1	0	359.537	5.294	1	30		FKEFRO
C=CC[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505069	717145138	/nfs/dbraw/zinc/14/51/38/717145138.db2.gz	XWHJREUWFMMSHD-WLIHWCKTSA-N	1	0	371.548	5.460	1	30		FKEFRO
C=CC[N+]1(C)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505071	717145166	/nfs/dbraw/zinc/14/51/66/717145166.db2.gz	XWHJREUWFMMSHD-PGTVFPJISA-N	1	0	371.548	5.460	1	30		FKEFRO
CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)CCC)CC2)cc1	ZINC000102894418	717145852	/nfs/dbraw/zinc/14/58/52/717145852.db2.gz	ARWSHRKSIHBQCG-SOAUALDESA-N	1	0	358.634	7.102	1	30		FKEFRO
CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)C(C)C)CC2)cc1	ZINC000102894834	222313390	/nfs/dbraw/zinc/31/33/90/222313390.db2.gz	MMHMNBIZCXRPHS-SOAUALDESA-N	1	0	358.634	7.101	1	30		FKEFRO
C=CC[N+](C)(C)[C@H]1CC[C@H](c2ccc(CCCCCCCC)cc2)CC1	ZINC000102930064	717145862	/nfs/dbraw/zinc/14/58/62/717145862.db2.gz	CNJJTYNXDOVEAH-PLQXJYEYSA-N	1	0	356.618	6.878	1	30		FKEFRO
CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)CCO)CC2)cc1	ZINC000102930968	717145841	/nfs/dbraw/zinc/14/58/41/717145841.db2.gz	NTNMKHVTKXMICS-RQNOJGIXSA-N	1	0	360.606	5.685	1	30		FKEFRO
CCCCCCCOc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000103040495	717146147	/nfs/dbraw/zinc/14/61/47/717146147.db2.gz	HMKNNLCYZBPBAA-DKXQDJALSA-N	1	0	360.606	6.548	1	30		FKEFRO
CCCCCCCC#Cc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000103040579	717146237	/nfs/dbraw/zinc/14/62/37/717146237.db2.gz	ANURTVHVTHFXSL-WMPKNSHKSA-N	1	0	368.629	6.911	1	30		FKEFRO
C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2	ZINC000103227262	210108000	/nfs/dbraw/zinc/10/80/00/210108000.db2.gz	WDOKGNOTOAMJEX-ZBYYUNFXSA-N	1	0	369.455	5.252	1	30		FKEFRO
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCN(C)C	ZINC000103233691	717146225	/nfs/dbraw/zinc/14/62/25/717146225.db2.gz	PUVHAFLEXISITQ-UHFFFAOYSA-N	1	0	369.702	6.886	1	30		FKEFRO
CCCCCCCCc1cn(-c2ccc(CC[NH+]3CCCCC3)cc2)nn1	ZINC000103275238	222330112	/nfs/dbraw/zinc/33/01/12/222330112.db2.gz	RCNQRSAGBSKGRH-UHFFFAOYSA-N	1	0	368.569	5.199	1	30		FKEFRO
CCCCCCCCCCCCc1ccc(CC[N@@H+]2CCC[C@H]2CO)cc1	ZINC000103275304	222330901	/nfs/dbraw/zinc/33/09/01/222330901.db2.gz	PNEOFQRNMJSTMT-VWLOTQADSA-N	1	0	373.625	6.149	1	30		FKEFRO
CCCCCCCCCCCCc1ccc(CC[NH+]2CCC([NH3+])CC2)cc1	ZINC000103275326	209250679	/nfs/dbraw/zinc/25/06/79/209250679.db2.gz	UYVKGSBOXQVWNZ-UHFFFAOYSA-N	1	0	372.641	6.116	1	30		FKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC(C34CC[C@H]5CC[C@@H](CC3)C5(C)[NH2+]4)=CC(C)=C2C1	ZINC000103525494	291085606	/nfs/dbraw/zinc/08/56/06/291085606.db2.gz	PQFMZJXBQQHCND-TVRSJJTGSA-N	1	0	365.605	6.716	1	30	biogenic,in-vitro	FKEFRO
CCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C	ZINC000140898834	209378363	/nfs/dbraw/zinc/37/83/63/209378363.db2.gz	MVFQTGOUWUSVET-UHFFFAOYSA-N	1	0	369.617	6.833	1	30		FKEFRO
CCCCCCCC/C=C\CCCCCCCC(=O)OCC[N+](C)(C)C	ZINC000150268477	717153501	/nfs/dbraw/zinc/15/35/01/717153501.db2.gz	PVXGXBXEHLTWOE-SEYXRHQNSA-N	1	0	368.626	6.273	1	30	in-vitro	FKEFRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@@H](C)CCCC(C)C)[C@H]3C[C@@H]12	ZINC000169299433	210175721	/nfs/dbraw/zinc/17/57/21/210175721.db2.gz	RINUGOBJPTXRGQ-ZJJXDXEASA-N	1	0	361.570	5.105	1	30		FKEFRO
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(C#N)cc3)c2c1	ZINC000169306808	209516914	/nfs/dbraw/zinc/51/69/14/209516914.db2.gz	FWFCQLDVCXATKF-UHFFFAOYSA-N	1	0	359.816	5.665	1	30		FKEFRO
CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1ccc(F)cc1)[NH2+][C@@H]2c1ccc(F)cc1	ZINC000169320359	206250415	/nfs/dbraw/zinc/25/04/15/206250415.db2.gz	VTOAEHWHEKFQCU-PXCIATODSA-N	1	0	370.443	5.159	1	30		FKEFRO
CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1ccccc1C)[NH2+][C@@H]2c1ccccc1C	ZINC000169320363	206249906	/nfs/dbraw/zinc/24/99/06/206249906.db2.gz	HVSOWXGRFNTGEQ-IKAJFEDTSA-N	1	0	362.517	5.498	1	30		FKEFRO
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1Cl	ZINC000169332819	717155580	/nfs/dbraw/zinc/15/55/80/717155580.db2.gz	ULQYEIKIADRJHW-UHFFFAOYSA-N	1	0	367.041	7.618	1	30		FKEFRO
CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1cccc(F)c1)[NH2+][C@@H]2c1cccc(F)c1	ZINC000169333006	206252292	/nfs/dbraw/zinc/25/22/92/206252292.db2.gz	LITALIXFZJINEA-NPTSLVBXSA-N	1	0	370.443	5.159	1	30		FKEFRO
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1	ZINC000169337858	717155868	/nfs/dbraw/zinc/15/58/68/717155868.db2.gz	DOOUHYGPEFAZDQ-UHFFFAOYSA-N	1	0	367.041	7.618	1	30		FKEFRO
CCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl	ZINC000169337882	717156042	/nfs/dbraw/zinc/15/60/42/717156042.db2.gz	QNFYTQHPCFEMIP-UHFFFAOYSA-N	1	0	373.432	7.491	1	30		FKEFRO
CCCCCCCCCCCC[N+](C)(C)Cc1ccc(OC)c(OC)c1	ZINC000169337900	717155803	/nfs/dbraw/zinc/15/58/03/717155803.db2.gz	SBYAZPUCHXRKET-UHFFFAOYSA-N	1	0	364.594	6.201	1	30		FKEFRO
CCCCCCCCCC[N@@H+]1CCC[C@@H](C(=O)N(CCC)CCC)C1	ZINC000169345693	206253261	/nfs/dbraw/zinc/25/32/61/206253261.db2.gz	SKWZMIRZELNHEN-OAQYLSRUSA-N	1	0	352.607	5.488	1	30		FKEFRO
C=C[C@@H]1[C@@H]2CC[C@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@H+]2C	ZINC000169354705	210175292	/nfs/dbraw/zinc/17/52/92/210175292.db2.gz	DJAAPGPGXVPSMP-CZYKHXBRSA-N	1	0	369.455	5.108	1	30		FKEFRO
CC(C)=CCC[C@@H](C)/C=C/C=C(\C)C(=O)CC[C@@H]1CC[N@+]2(C)CCCC[C@H]12	ZINC000254081210	717169848	/nfs/dbraw/zinc/16/98/48/717169848.db2.gz	XVHGEQZLPUATNX-KGCMEJDKSA-N	1	0	372.617	6.240	1	30		FKEFRO
CCCCCCCC#Cc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000254093589	717169906	/nfs/dbraw/zinc/16/99/06/717169906.db2.gz	ANURTVHVTHFXSL-DIVCQZSQSA-N	1	0	368.629	6.911	1	30		FKEFRO
C=CC[N+](C)(C)[C@H]1CC[C@H](c2ccc(CCCCCCCC)cc2)CC1	ZINC000254127873	717169920	/nfs/dbraw/zinc/16/99/20/717169920.db2.gz	CNJJTYNXDOVEAH-SOAUALDESA-N	1	0	356.618	6.878	1	30		FKEFRO
CCCCCCCOc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000254134008	717170312	/nfs/dbraw/zinc/17/03/12/717170312.db2.gz	HMKNNLCYZBPBAA-AFARHQOCSA-N	1	0	360.606	6.548	1	30		FKEFRO
C=CC[N@+]1(C)CCCN(C(=O)CCCCCCCCCCCCC)CC1	ZINC000299844801	717181504	/nfs/dbraw/zinc/18/15/04/717181504.db2.gz	BUWNOZUZSQKNFO-RUZDIDTESA-N	1	0	365.626	5.552	1	30		FKEFRO
C=CC[N@@+]1(C)CCCN(C(=O)CCCCCCCCCCCCC)CC1	ZINC000299844802	717181520	/nfs/dbraw/zinc/18/15/20/717181520.db2.gz	BUWNOZUZSQKNFO-VWLOTQADSA-N	1	0	365.626	5.552	1	30		FKEFRO
CCCCCCCCCCCCCC(=O)N1CCC[N@+](C)(CC)CC1	ZINC000299844841	717181544	/nfs/dbraw/zinc/18/15/44/717181544.db2.gz	XXBGDVCDYCPNCS-DEOSSOPVSA-N	1	0	353.615	5.386	1	30		FKEFRO
CCCCCCCCCCCCCC(=O)N1CCC[N@@+](C)(CC)CC1	ZINC000299844842	717181528	/nfs/dbraw/zinc/18/15/28/717181528.db2.gz	XXBGDVCDYCPNCS-XMMPIXPASA-N	1	0	353.615	5.386	1	30		FKEFRO
CCCCCCCCCCCCCCCC[C@](C)([NH3+])Cc1ccccc1	ZINC000100509905	263435789	/nfs/dbraw/zinc/43/57/89/263435789.db2.gz	ADWYUSKWJUNMGK-VWLOTQADSA-N	1	0	359.642	7.818	2	30		FKEFRO
CCCCCCCCCCCCCCCC[C@@](C)([NH3+])Cc1ccccc1	ZINC000100509906	263435779	/nfs/dbraw/zinc/43/57/79/263435779.db2.gz	ADWYUSKWJUNMGK-RUZDIDTESA-N	1	0	359.642	7.818	2	30		FKEFRO
Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)c1C	ZINC000008677128	207240774	/nfs/dbraw/zinc/24/07/74/207240774.db2.gz	HLNWXEIGPRHJFB-YQQQUEKLSA-N	1	0	359.583	5.043	3	30		FKEFRO
CC(C)Cc1ccc([C@@H](C)/C=C2/CC[C@@H](C[NH+]3CCCCC3)C2=O)cc1	ZINC000102852360	209243045	/nfs/dbraw/zinc/24/30/45/209243045.db2.gz	ZKLVNVLQZNFKHL-JZNIPWTKSA-N	1	0	353.550	5.380	3	30		FKEFRO