smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CC[N@@H+]42)[C@@H]6[C@@H]35	ZINC000103580496	291049480	/nfs/dbraw/zinc/04/94/80/291049480.db2.gz	WHEDIELHNDPRJQ-QAXXQCMOSA-N	0	1	364.445	2.414	1	0	biogenic,in-vitro	FEAFMN
CCO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@@H]6[C@@H]35	ZINC000103580496	291049481	/nfs/dbraw/zinc/04/94/81/291049481.db2.gz	WHEDIELHNDPRJQ-QAXXQCMOSA-N	0	1	364.445	2.414	1	0	biogenic,in-vitro	FEAFMN
C=C(C[S@@](C)=O)n1c(C(=O)c2ccc(Br)cc2)noc1=O	ZINC000040951374	205085365	/nfs/dbraw/zinc/08/53/65/205085365.db2.gz	BRWYUWUWRPGJSA-NJRZHNRPSA-N	0	1	371.212	2.027	1	0		FEAFMN
CC(C)N1CCN(C(=O)c2cccc3[nH]cc(CN4CCOCC4)c32)CC1	ZINC000064526422	205299264	/nfs/dbraw/zinc/29/92/64/205299264.db2.gz	SCKIFQBBOQLHIA-UHFFFAOYSA-N	0	1	370.497	2.166	1	0		FEAFMN
COc1ccc(C[C@H](C(=O)Nc2ccc(OC)cc2)c2nn[nH]n2)cc1	ZINC000005484057	204210730	/nfs/dbraw/zinc/21/07/30/204210730.db2.gz	RWBODGQKHJTVNF-INIZCTEOSA-N	0	1	353.382	2.182	3	0		FEAFMN
Cc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc32)n1	ZINC000096903433	132226319	/nfs/dbraw/zinc/22/63/19/132226319.db2.gz	SYICWFONNQDEQH-UHFFFAOYSA-N	0	1	373.848	2.339	1	0		FEAFMN
O=C(Nc1c(=O)[nH][nH]c1-c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2	ZINC000169305397	206249366	/nfs/dbraw/zinc/24/93/66/206249366.db2.gz	WPLAEDCQYSMTOM-UHFFFAOYSA-N	0	1	367.317	2.492	3	0		FEAFMN
C[C@H]1OC=C(C(=O)[O-])[C@H]2C[C@@H]3[N@@H+](CC[C@@]34Nc3ccccc3C4=O)C[C@@H]12	ZINC000095914785	291053342	/nfs/dbraw/zinc/05/33/42/291053342.db2.gz	XJBQLDFXLQMHKY-HKAXUKBASA-N	0	1	354.406	2.131	1	0	biogenic,in-vitro	FEAFMN
CC(C)CN(C)C(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1	ZINC000036184801	205007687	/nfs/dbraw/zinc/00/76/87/205007687.db2.gz	GGTAXQZNSGHFEJ-QMMMGPOBSA-N	0	1	350.259	2.101	1	0		FEAFMN
COc1ccn2nc(S(=O)(=O)Nc3cccc(Cl)c3Cl)nc2n1	ZINC000103212892	209248017	/nfs/dbraw/zinc/24/80/17/209248017.db2.gz	ALPOTYZYEKCUEM-UHFFFAOYSA-N	0	1	374.209	2.241	1	0		FEAFMN
CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C[C@H]3O[C@H]31)[C@H]42	ZINC000085511392	291049465	/nfs/dbraw/zinc/04/94/65/291049465.db2.gz	AUVZFRDLRJQTQF-NIAVFTRYSA-N	0	1	352.434	2.432	1	0	biogenic,in-vitro	FEAFMN
C[C@@H]1OC=C(C(=O)[O-])[C@H]2C[C@H]3[N@@H+](CC[C@]34Nc3ccccc3C4=O)C[C@@H]12	ZINC000095909400	291053152	/nfs/dbraw/zinc/05/31/52/291053152.db2.gz	XJBQLDFXLQMHKY-OJUUAERYSA-N	0	1	354.406	2.131	1	0	biogenic,in-vitro	FEAFMN
CCS(=O)(=O)N1CCC[C@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21	ZINC000007999017	207216287	/nfs/dbraw/zinc/21/62/87/207216287.db2.gz	UMGBFFAJXFXOIL-SNRMKQJTSA-N	0	1	364.511	2.428	1	0		FEAFMN
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2cccnc2)cc1	ZINC000035900358	208138010	/nfs/dbraw/zinc/13/80/10/208138010.db2.gz	MLSAGGODNSGYLO-MOPGFXCFSA-N	0	1	359.495	2.474	1	0		FEAFMN
Cc1cc(C)n2nc(S(=O)(=O)Nc3c(F)ccc4cccnc43)nc2n1	ZINC000103286436	209252233	/nfs/dbraw/zinc/25/22/33/209252233.db2.gz	MOYIMNJGRLRSSZ-UHFFFAOYSA-N	0	1	372.385	2.229	1	0		FEAFMN
CCN(CC)C(=O)c1c2nncn2c2ccccc2c1N1CCN(C)CC1	ZINC000040916872	136120623	/nfs/dbraw/zinc/12/06/23/136120623.db2.gz	YALNFDZGPBZGAM-UHFFFAOYSA-N	0	1	366.469	2.116	1	0		FEAFMN
CC(=O)N[C@@H]1CCN(c2c3nc(-c4cn(C)nc4C)[nH]c3ncc2Cl)C1	ZINC000103273756	209251287	/nfs/dbraw/zinc/25/12/87/209251287.db2.gz	XDTMWNUVKUHOQV-LLVKDONJSA-N	0	1	373.848	2.035	1	0		FEAFMN
CC(=O)c1ccccc1NS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2	ZINC000008599874	207238653	/nfs/dbraw/zinc/23/86/53/207238653.db2.gz	XITUXJAXXWQYQM-UHFFFAOYSA-N	0	1	360.391	2.329	1	0		FEAFMN
C[C@H](NCc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O	ZINC000045290623	208329256	/nfs/dbraw/zinc/32/92/56/208329256.db2.gz	UNDHQFQFCPVSTB-ZDUSSCGKSA-N	0	1	352.390	2.335	1	0		FEAFMN
Nc1nc2cc(-c3cncc(S(=O)(=O)Nc4ccccc4)c3)ccn2n1	ZINC000095559984	209080691	/nfs/dbraw/zinc/08/06/91/209080691.db2.gz	UHGIAVQHWGJRKS-UHFFFAOYSA-N	0	1	366.406	2.174	1	0		FEAFMN
NS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)n[nH]c2=S)cc1	ZINC000103270362	209250376	/nfs/dbraw/zinc/25/03/76/209250376.db2.gz	SNJHXIQXIMEJEG-UHFFFAOYSA-N	0	1	350.400	2.383	1	0		FEAFMN
CN1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1	ZINC000022930400	211372169	/nfs/dbraw/zinc/37/21/69/211372169.db2.gz	VPELVPDSELHKHY-UHFFFAOYSA-N	0	1	359.495	2.376	1	0		FEAFMN
N[C@H](C(=O)N1CC[C@H](F)C1)[C@@H](CO)c1ccc(-c2ccc(F)cc2)cc1	ZINC000014947742	211107008	/nfs/dbraw/zinc/10/70/08/211107008.db2.gz	AZYZWBWKCOKZCC-FHWLQOOXSA-N	0	1	360.404	2.466	1	0		FEAFMN
O=C([O-])c1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c2ccccn2c1=O	ZINC000066074599	221239422	/nfs/dbraw/zinc/23/94/22/221239422.db2.gz	AEFIYNBMVZXRRT-UHFFFAOYSA-N	0	1	352.394	2.100	1	0		FEAFMN
C[N@H+]1[C@@H]2CC[C@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)[O-])cn3C1CC1)C2	ZINC000000587547	524031670	/nfs/dbraw/zinc/03/16/70/524031670.db2.gz	ALRZZABRVIYCNY-BETUJISGSA-N	0	1	371.412	2.457	1	0		FEAFMN
C[N@@H+]1[C@@H]2CC[C@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)[O-])cn3C1CC1)C2	ZINC000000587547	524031673	/nfs/dbraw/zinc/03/16/73/524031673.db2.gz	ALRZZABRVIYCNY-BETUJISGSA-N	0	1	371.412	2.457	1	0		FEAFMN
CC1CCN(c2nnc(-n3cccc3CN3CCN(C)CC3)s2)CC1	ZINC000020576384	211287784	/nfs/dbraw/zinc/28/77/84/211287784.db2.gz	DHEHVJGHDBIDHL-UHFFFAOYSA-N	0	1	360.531	2.313	1	0		FEAFMN
O=C(CCN1CCN(c2ncccn2)CC1)NC12CC3CC(CC(C3)C1)C2	ZINC000053023022	136124777	/nfs/dbraw/zinc/12/47/77/136124777.db2.gz	SBZMWPWEGHYHEQ-UHFFFAOYSA-N	0	1	369.513	2.074	1	0		FEAFMN
Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@@H]2O	ZINC000000601447	210224593	/nfs/dbraw/zinc/22/45/93/210224593.db2.gz	JGYVZUCCBOVDJE-PKOBYXMFSA-N	0	1	359.397	2.309	1	0		FEAFMN
COc1ccc2c(c1)[C@]13CC[N@@H+]4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43	ZINC000070455568	560047136	/nfs/dbraw/zinc/04/71/36/560047136.db2.gz	ZTHVHELPCLGXHF-FPEBEEODSA-N	0	1	364.445	2.101	3	0	biogenic,in-vitro	FEAFMN
COc1ccc2c(c1)CC[N@@H+]1C[C@@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21	ZINC000000838254	219329100	/nfs/dbraw/zinc/32/91/00/219329100.db2.gz	JKDBLHWERQWYKF-WBAXXEDZSA-N	0	1	350.484	2.038	1	0		FEAFMN
COc1ccc2c(c1)CCN1C[C@@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21	ZINC000000838254	219329102	/nfs/dbraw/zinc/32/91/02/219329102.db2.gz	JKDBLHWERQWYKF-WBAXXEDZSA-N	0	1	350.484	2.038	1	0		FEAFMN
Cc1ccc(Nc2nc3[nH]ncc3c(=O)[nH]2)cc1I	ZINC000013518238	220071383	/nfs/dbraw/zinc/07/13/83/220071383.db2.gz	CJJRXZGFMZQOFX-UHFFFAOYSA-N	0	1	367.150	2.303	1	0		FEAFMN
CN1CCN(c2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c32)CC1	ZINC000040976328	136120759	/nfs/dbraw/zinc/12/07/59/136120759.db2.gz	BBEVMAFPVMSMEU-UHFFFAOYSA-N	0	1	374.448	2.405	1	0		FEAFMN
C[C@H](Nc1ncc(F)c(Nc2cc(N(C)C)[nH]n2)n1)c1ncc(F)cn1	ZINC000066099650	221241960	/nfs/dbraw/zinc/24/19/60/221241960.db2.gz	UGAAPUDPSIDFJZ-QMMMGPOBSA-N	0	1	361.360	2.251	1	0		FEAFMN
CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@H]42	ZINC000085511390	291049471	/nfs/dbraw/zinc/04/94/71/291049471.db2.gz	AUVZFRDLRJQTQF-ZIKUCTJESA-N	0	1	352.434	2.432	1	0	biogenic,in-vitro	FEAFMN
COc1ccc(C[C@@H](C(=O)Nc2ccc(OC)cc2)c2nn[nH]n2)cc1	ZINC000005484073	204210762	/nfs/dbraw/zinc/21/07/62/204210762.db2.gz	RWBODGQKHJTVNF-MRXNPFEDSA-N	0	1	353.382	2.182	3	0		FEAFMN
CC1CCN(C(=O)c2[nH]cnc2C(=O)N2CCc3ccccc3C2)CC1	ZINC000036388119	205014364	/nfs/dbraw/zinc/01/43/64/205014364.db2.gz	CRGNWPWPIFOUHS-UHFFFAOYSA-N	0	1	352.438	2.480	3	0		FEAFMN
Cc1nc2cc(OCc3cc(C(=O)N4CCNCC4)no3)ccc2s1	ZINC000045255898	205118840	/nfs/dbraw/zinc/11/88/40/205118840.db2.gz	INCYIOVXSGQYKO-UHFFFAOYSA-N	0	1	358.423	2.217	1	0		FEAFMN
NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCC4)cc3)nc21	ZINC000045392103	205121645	/nfs/dbraw/zinc/12/16/45/205121645.db2.gz	APVONESTVYOERI-UHFFFAOYSA-N	0	1	363.421	2.159	1	0		FEAFMN
Nc1c2ccccc2[nH]c(=O)c1-c1nc2ccc(N3CCOCC3)cc2[nH]1	ZINC000036176819	581100638	/nfs/dbraw/zinc/10/06/38/581100638.db2.gz	JZGWDENJLOXKLZ-UHFFFAOYSA-N	0	1	361.405	2.490	1	0		FEAFMN
C[NH+](C)C1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1	ZINC000003796397	204109925	/nfs/dbraw/zinc/10/99/25/204109925.db2.gz	KRMVDUVKZGVFBU-UHFFFAOYSA-N	0	1	363.364	2.063	1	0		FEAFMN
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1C	ZINC000001623974	204015303	/nfs/dbraw/zinc/01/53/03/204015303.db2.gz	TYKMYTNMJZZHHO-INIZCTEOSA-N	0	1	358.419	2.427	1	0		FEAFMN
CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@@]34CC[N@@H+](C[C@@H]3O[C@@H]31)[C@H]42	ZINC000014719363	291049461	/nfs/dbraw/zinc/04/94/61/291049461.db2.gz	HILHZMSRHLWRBI-KXEYLTKFSA-N	0	1	368.433	2.138	1	0	biogenic,in-vitro	FEAFMN
CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42	ZINC000014719363	291049462	/nfs/dbraw/zinc/04/94/62/291049462.db2.gz	HILHZMSRHLWRBI-KXEYLTKFSA-N	0	1	368.433	2.138	1	0	biogenic,in-vitro	FEAFMN
C[C@H]1OC=C(C(=O)[O-])[C@H]2C[C@H]3[N@@H+](CC[C@]34Nc3ccccc3C4=O)C[C@@H]12	ZINC000095912471	291053364	/nfs/dbraw/zinc/05/33/64/291053364.db2.gz	XJBQLDFXLQMHKY-KCYCFNQMSA-N	0	1	354.406	2.131	1	0	biogenic,in-vitro	FEAFMN
COCCN1CCN(c2ccnc(-n3cnc4cc(C)c(C)cc43)n2)CC1	ZINC000084733632	132199211	/nfs/dbraw/zinc/19/92/11/132199211.db2.gz	AXRQOAGCSGYJME-UHFFFAOYSA-N	0	1	366.469	2.201	1	0		FEAFMN
c1cc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)ccn1	ZINC000095594949	132215871	/nfs/dbraw/zinc/21/58/71/132215871.db2.gz	CFIIUIGWBDPBAG-UHFFFAOYSA-N	0	1	360.421	2.464	1	0		FEAFMN
CN1CCN(c2ccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c3c2)CC1	ZINC000001494748	132382108	/nfs/dbraw/zinc/38/21/08/132382108.db2.gz	NZDKMYJOLQKUML-UHFFFAOYSA-N	0	1	374.448	2.405	1	0		FEAFMN
COc1ccccc1CN1CC2(C1)CCN(C(=O)c1cnccn1)CC2	ZINC000004237990	204128881	/nfs/dbraw/zinc/12/88/81/204128881.db2.gz	SIGJPHNRWHYFJS-UHFFFAOYSA-N	0	1	352.438	2.223	1	0		FEAFMN
CN1CCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1	ZINC000045366423	205121725	/nfs/dbraw/zinc/12/17/25/205121725.db2.gz	MUALPBWISBWOSS-KRWDZBQOSA-N	0	1	363.421	2.157	1	0		FEAFMN
COc1cc2c(c(OC)c1)C(=O)C(CN1CCCC1)(CN1CCCC1)O2	ZINC000053243832	205192556	/nfs/dbraw/zinc/19/25/56/205192556.db2.gz	QEUPMUKENQOQSF-UHFFFAOYSA-N	0	1	360.454	2.209	1	0		FEAFMN
O=C([O-])C[C@@H]1OCC=C2C[N@H+]3CC[C@]45c6ccccc6N[C@H]4[C@H]1[C@H]2C[C@H]35	ZINC000003954351	204117340	/nfs/dbraw/zinc/11/73/40/204117340.db2.gz	SQIFUSVCLFHGOI-FVWCLLPLSA-N	0	1	352.434	2.242	1	0		FEAFMN
CCCC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5	ZINC000040933188	205085657	/nfs/dbraw/zinc/08/56/57/205085657.db2.gz	HSXFFYXJBILABT-VVHHDAOASA-N	0	1	357.406	2.100	1	0		FEAFMN
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1Cc2ccccc2C1	ZINC000084726357	205659340	/nfs/dbraw/zinc/65/93/40/205659340.db2.gz	ZDKWTBFFKBWADD-FQEVSTJZSA-N	0	1	363.461	2.438	1	0		FEAFMN
CC(C)NC(=S)SC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000103264657	209251075	/nfs/dbraw/zinc/25/10/75/209251075.db2.gz	RSJRFSNXHMAYNT-HNNXBMFYSA-N	0	1	372.466	2.460	1	0		FEAFMN
Nc1ncnc2c1c(-c1ccc(Cl)c([O-])c1)nn2CC1CC[NH2+]CC1	ZINC000008581945	207236596	/nfs/dbraw/zinc/23/65/96/207236596.db2.gz	WXCKXLFOEBUZDO-UHFFFAOYSA-N	0	1	358.833	2.434	1	0		FEAFMN
COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3CO)[nH]c2c1	ZINC000095617656	571795332	/nfs/dbraw/zinc/79/53/32/571795332.db2.gz	IGVYIWUGJPECAJ-RUZDIDTESA-N	0	1	361.423	2.084	1	0	endogenous,world	FEAFMN
C[C@H]1[C@H](O)CC[C@H]2C[C@@H]([C@H](O)CCCCCC[C@@H](O)CC(=O)[O-])CC[N@@H+]12	ZINC000085488267	291053336	/nfs/dbraw/zinc/05/33/36/291053336.db2.gz	KUWUFIMFEHTJGO-LOXVXLSQSA-N	0	1	371.518	2.147	1	0	biogenic,in-vitro	FEAFMN
CCCOc1c(Br)cc(/C=C2\NC(=O)NC2=O)cc1OC	ZINC000064235821	208611610	/nfs/dbraw/zinc/61/16/10/208611610.db2.gz	WVKYGEBWRFCQSH-POHAHGRESA-N	0	1	355.188	2.427	1	0		FEAFMN
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(CO)cc1	ZINC000095580424	209082374	/nfs/dbraw/zinc/08/23/74/209082374.db2.gz	ZQKHERNWUMQFTD-VQTJNVASSA-N	0	1	351.450	2.009	1	0		FEAFMN
Nc1ncnc2c1c(-c1ccc(Cl)c([O-])c1)nn2C[C@@H]1CCC[NH2+]C1	ZINC000008581943	207236906	/nfs/dbraw/zinc/23/69/06/207236906.db2.gz	MVFQHVQABARLKS-SNVBAGLBSA-N	0	1	358.833	2.434	1	0		FEAFMN
CCO[C@H]1O[C@H]2C[N@@H+](C)[C@H]3C[C@@H](OC)C=C[C@@]23c2cc3c(cc21)OCO3	ZINC000085808167	291049476	/nfs/dbraw/zinc/04/94/76/291049476.db2.gz	KLPOJDWFOJJRDU-CYZGAOKHSA-N	0	1	359.422	2.376	1	0	biogenic,in-vitro	FEAFMN
CCO[C@H]1O[C@H]2CN(C)[C@H]3C[C@@H](OC)C=C[C@@]23c2cc3c(cc21)OCO3	ZINC000085808167	291049477	/nfs/dbraw/zinc/04/94/77/291049477.db2.gz	KLPOJDWFOJJRDU-CYZGAOKHSA-N	0	1	359.422	2.376	1	0	biogenic,in-vitro	FEAFMN
C[C@H]1[C@H](O)CC[C@H]2C[C@H]([C@H](O)CCCCCC[C@@H](O)CC(=O)[O-])C=C[N@@H+]12	ZINC000103573522	291053680	/nfs/dbraw/zinc/05/36/80/291053680.db2.gz	LTVJDZIDZGZAIH-PKRLLGJHSA-N	0	1	369.502	2.271	1	0	biogenic,in-vitro	FEAFMN
Cc1ccn2nc(S(=O)(=O)Nc3c(Cl)ccc4cccnc43)nc2n1	ZINC000103286357	209251837	/nfs/dbraw/zinc/25/18/37/209251837.db2.gz	LSMMKKYNTPOQHR-UHFFFAOYSA-N	0	1	374.813	2.435	1	0		FEAFMN
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1C	ZINC000005721973	207113001	/nfs/dbraw/zinc/11/30/01/207113001.db2.gz	TYKMYTNMJZZHHO-MRXNPFEDSA-N	0	1	358.419	2.427	1	0		FEAFMN
COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3CO)[nH]c2c1	ZINC000095617655	210236405	/nfs/dbraw/zinc/23/64/05/210236405.db2.gz	IGVYIWUGJPECAJ-VWLOTQADSA-N	0	1	361.423	2.084	1	0	endogenous,world	FEAFMN
CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@]34CC[N@@H+](C[C@@H]3O[C@@H]31)[C@H]42	ZINC000014719367	291049467	/nfs/dbraw/zinc/04/94/67/291049467.db2.gz	HILHZMSRHLWRBI-QBRMMOJRSA-N	0	1	368.433	2.138	1	0	biogenic,in-vitro	FEAFMN
CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42	ZINC000014719367	291049468	/nfs/dbraw/zinc/04/94/68/291049468.db2.gz	HILHZMSRHLWRBI-QBRMMOJRSA-N	0	1	368.433	2.138	1	0	biogenic,in-vitro	FEAFMN
O=C(c1cc(O)c2c(=O)cccc-2o1)N1CCN(Cc2ccccc2)CC1	ZINC000013558839	211039118	/nfs/dbraw/zinc/03/91/18/211039118.db2.gz	AQDGMSIHOULMTN-UHFFFAOYSA-N	0	1	364.401	2.457	1	0		FEAFMN
COC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]1	ZINC000001663040	210366472	/nfs/dbraw/zinc/36/64/72/210366472.db2.gz	SQKFIMBPIYOIMJ-UHFFFAOYSA-N	0	1	364.358	2.103	1	0		FEAFMN
COc1ccc(C=Cc2nc(N)[nH]c(=O)c2Br)cc1OC	ZINC000096914688	222139044	/nfs/dbraw/zinc/13/90/44/222139044.db2.gz	BKXMAWBCVDTTMO-HWKANZROSA-N	0	1	352.188	2.302	1	0		FEAFMN
O=C(NCCc1cnc[nH]1)c1cc(Br)c(Br)[nH]1	ZINC000103259982	222329797	/nfs/dbraw/zinc/32/97/97/222329797.db2.gz	NCELWINLWDQYKV-UHFFFAOYSA-N	0	1	362.025	2.235	1	0		FEAFMN
Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)N2CCNCC2)cc1	ZINC000000727393	210266484	/nfs/dbraw/zinc/26/64/84/210266484.db2.gz	GOPFZXBBMYCLAQ-XMHGGMMESA-N	0	1	367.424	2.337	1	0		FEAFMN
COc1ccc2c(c1OC)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(O)C(OC)=CC3	ZINC000085531658	291050772	/nfs/dbraw/zinc/05/07/72/291050772.db2.gz	AKMIHNAUTMLDGR-WBCYEJBOSA-N	0	1	359.422	2.114	1	0	biogenic,in-vitro	FEAFMN
COc1nc2c(c(OC)n1)[C@@H](c1ccc(F)c(OC)c1)C1=C(COC1=O)N2	ZINC000071297133	221341651	/nfs/dbraw/zinc/34/16/51/221341651.db2.gz	DRRUAQLTKQQTLH-LBPRGKRZSA-N	0	1	373.340	2.010	1	0		FEAFMN
COc1nc2c(c(OC)n1)[C@H](c1ccc(F)c(OC)c1)C1=C(COC1=O)N2	ZINC000071297134	221341952	/nfs/dbraw/zinc/34/19/52/221341952.db2.gz	DRRUAQLTKQQTLH-GFCCVEGCSA-N	0	1	373.340	2.010	1	0		FEAFMN
Cn1nc2nc(N3CCN(C)CC3)nc(-c3ccc(Cl)cc3)c2c1N	ZINC000037358002	132941956	/nfs/dbraw/zinc/94/19/56/132941956.db2.gz	XNWSKQIHTMCANU-UHFFFAOYSA-N	0	1	357.849	2.018	1	0		FEAFMN
Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(Cc3ccccc3)CC1)[C@H]2O	ZINC000013779260	220094453	/nfs/dbraw/zinc/09/44/53/220094453.db2.gz	JQQWDYJWDCIVKQ-QUCCMNQESA-N	0	1	355.434	2.256	1	0		FEAFMN
Nc1nc2sccc2c(N2CCN(CCOc3ccccc3)CC2)n1	ZINC000045393328	132951955	/nfs/dbraw/zinc/95/19/55/132951955.db2.gz	RIFBABMLVJAMEE-UHFFFAOYSA-N	0	1	355.467	2.475	1	0		FEAFMN
COC(=O)[C@@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc32)CN1	ZINC000084489106	221722138	/nfs/dbraw/zinc/72/21/38/221722138.db2.gz	RKVQETBRWSXNLR-LRDDRELGSA-N	0	1	364.405	2.318	1	0		FEAFMN
CC(C)NC(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000103264658	222330952	/nfs/dbraw/zinc/33/09/52/222330952.db2.gz	RSJRFSNXHMAYNT-OAHLLOKOSA-N	0	1	372.466	2.460	1	0		FEAFMN
O=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCOCC1	ZINC000013682686	220086349	/nfs/dbraw/zinc/08/63/49/220086349.db2.gz	NCLWVPZWZZGUBK-UHFFFAOYSA-N	0	1	357.250	2.471	1	0		FEAFMN