smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)CC	ZINC000019499190	539658332	/nfs/dbraw/zinc/65/83/32/539658332.db2.gz	HCNBRZHJWXTBGE-GUDVDZBRSA-N	1	0	373.472	2.154	40	30		FEEBRO
C#CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2	ZINC000019291465	263374956	/nfs/dbraw/zinc/37/49/56/263374956.db2.gz	MNIKKYGCHWNPIX-HTZLVSCSSA-N	1	0	351.450	2.447	40	30		FEEBRO
C[NH+](C)CCCNc1nc(Nc2cccc(C#N)c2)cc(-c2cccnc2)n1	ZINC000329059178	553873482	/nfs/dbraw/zinc/87/34/82/553873482.db2.gz	WGKJGEAJKUERKB-UHFFFAOYSA-N	1	0	373.464	2.361	40	30		FEEBRO
N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccncc4)C3)C2)n1	ZINC000096229100	542997151	/nfs/dbraw/zinc/99/71/51/542997151.db2.gz	WNHMPOJDMHUJQF-NRFANRHFSA-N	1	0	363.465	2.467	40	30		FEEBRO
N#Cc1cccc(C[N@@H+]2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c1	ZINC000096063384	542990229	/nfs/dbraw/zinc/99/02/29/542990229.db2.gz	CEMCBJOJUDTIAK-UXHICEINSA-N	1	0	352.438	2.205	40	30		FEEBRO
N#Cc1cc(N)c(N2CC[NH+](Cc3ccccc3)CC2)n1C[C@H]1CCCO1	ZINC000225872003	548745088	/nfs/dbraw/zinc/74/50/88/548745088.db2.gz	NQVBRYRSXDMIJC-LJQANCHMSA-N	1	0	365.481	2.443	40	30		FEEBRO
CN(C)C(=O)C[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccccc1C#N)CC2	ZINC000585100592	571124516	/nfs/dbraw/zinc/12/45/16/571124516.db2.gz	OWNBXYKAPUCBDG-NRFANRHFSA-N	1	0	368.481	2.107	40	30		FEEBRO
CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CCN1CC[NH2+]CC1	ZINC000023469724	539715256	/nfs/dbraw/zinc/71/52/56/539715256.db2.gz	YMMMVFREMNTZTI-UHFFFAOYSA-N	1	0	363.461	2.391	40	30		FEEBRO
C=CCN1CC[C@]2(C[N@H+](Cc3cnn(C)c3)C[C@H]2c2ccccc2)C1=O	ZINC000096201892	542995187	/nfs/dbraw/zinc/99/51/87/542995187.db2.gz	BOHYEIKRMSCZPL-PZJWPPBQSA-N	1	0	350.466	2.424	40	30		FEEBRO
CCn1cc(C[N@@H+]2C[C@@H]3OC[C@H](CCOc4ccc(C#N)cn4)[C@@H]3C2)cn1	ZINC000306130883	553748995	/nfs/dbraw/zinc/74/89/95/553748995.db2.gz	JRUCXQLFYUYEGE-FHWLQOOXSA-N	1	0	367.453	2.086	40	30		FEEBRO
C#CCOc1ccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cc1OCC	ZINC000019532197	539660058	/nfs/dbraw/zinc/66/00/58/539660058.db2.gz	URPPULJFJAJNQI-UHFFFAOYSA-N	1	0	367.449	2.090	40	30		FEEBRO
CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000019367094	539656276	/nfs/dbraw/zinc/65/62/76/539656276.db2.gz	PKFJLOBBSGMIMS-QZTJIDSGSA-N	1	0	365.485	2.169	40	30		FEEBRO
C=CC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O	ZINC000070669821	203907330	/nfs/dbraw/zinc/90/73/30/203907330.db2.gz	LSVIWPNZJIGKRQ-VXAJEVNASA-N	1	0	367.513	2.255	40	30		FEEBRO
N#Cc1c2c(sc1NC(=O)CSc1nc(N)cc(N)[nH+]1)CCCC2	ZINC000004126541	206168316	/nfs/dbraw/zinc/16/83/16/206168316.db2.gz	TVEWJJPHYQIJIY-UHFFFAOYSA-N	1	0	360.468	2.184	40	30		FEEBRO
Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1	ZINC000096109117	542991881	/nfs/dbraw/zinc/99/18/81/542991881.db2.gz	WOSHCPHSYRKIKW-QAPCUYQASA-N	1	0	356.451	2.246	40	30		FEEBRO
O=[N+]([O-])c1cc(/C=N/NC(=S)N[C@H]2C[NH+]3CCC2CC3)ccc1Cl	ZINC000001657171	527324897	/nfs/dbraw/zinc/32/48/97/527324897.db2.gz	QAEPWEWYYUOSQG-TVYFDWKESA-N	1	0	367.862	2.140	40	30		FEEBRO
C=CCN(C)C(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1	ZINC000008298142	291048317	/nfs/dbraw/zinc/04/83/17/291048317.db2.gz	OBLDXPMLBOZDAR-OTWHNJEPSA-N	1	0	365.481	2.300	40	30	biogenic,in-vitro	FEEBRO
N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccncc4)C3)C2)n1	ZINC000096229101	209141149	/nfs/dbraw/zinc/14/11/49/209141149.db2.gz	WNHMPOJDMHUJQF-OAQYLSRUSA-N	1	0	363.465	2.467	40	30		FEEBRO
[NH3+]CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000022079083	207795562	/nfs/dbraw/zinc/79/55/62/207795562.db2.gz	OFIMDJSHJPTAGE-INIZCTEOSA-N	1	0	367.361	2.132	40	30		FEEBRO
Oc1ccc2ccccc2c1/C=N/NC(=S)N[C@@H]1C[NH+]2CCC1CC2	ZINC000001657157	539342672	/nfs/dbraw/zinc/34/26/72/539342672.db2.gz	XFQFDFWONSBRIF-MLHZQLSASA-N	1	0	354.479	2.438	40	30		FEEBRO
N#Cc1ccc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cc1	ZINC000108527179	209289144	/nfs/dbraw/zinc/28/91/44/209289144.db2.gz	BGNADSOGGYZTSL-TZIWHRDSSA-N	1	0	353.466	2.409	40	30		FEEBRO
CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000245230329	548901797	/nfs/dbraw/zinc/90/17/97/548901797.db2.gz	PKFJLOBBSGMIMS-ROUUACIJSA-N	1	0	365.485	2.169	40	30		FEEBRO
N#CCN1CCC2(CC1)CN(CC[NH+]1CCCC1)C(=O)c1ccccc12	ZINC000096090531	209111744	/nfs/dbraw/zinc/11/17/44/209111744.db2.gz	KTLQCVDBZPMSDD-UHFFFAOYSA-N	1	0	352.482	2.095	40	30		FEEBRO
N#Cc1ccc(OCC[C@H]2CO[C@H]3C[N@H+](CC4CCOCC4)C[C@@H]23)nc1	ZINC000306131319	553749679	/nfs/dbraw/zinc/74/96/79/553749679.db2.gz	KBRDTIYUKFELQY-FHWLQOOXSA-N	1	0	357.454	2.096	40	30		FEEBRO
Oc1ccc2ccccc2c1/C=N\NC(=S)N[C@H]1C[NH+]2CCC1CC2	ZINC000017379812	539642022	/nfs/dbraw/zinc/64/20/22/539642022.db2.gz	XFQFDFWONSBRIF-BCUAHEQISA-N	1	0	354.479	2.438	40	30		FEEBRO
C=CCOc1ccccc1C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1	ZINC000019016108	539650581	/nfs/dbraw/zinc/65/05/81/539650581.db2.gz	WYEBOYQRNSOPBS-UHFFFAOYSA-N	1	0	366.465	2.493	40	30		FEEBRO
C=CCc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCO)cc(OC)c1OC	ZINC000019549459	539659974	/nfs/dbraw/zinc/65/99/74/539659974.db2.gz	CFXULQAHMZDUGC-OALUTQOASA-N	1	0	360.498	2.463	40	30		FEEBRO
C[NH+](C)CC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1	ZINC000012222330	539550147	/nfs/dbraw/zinc/55/01/47/539550147.db2.gz	KPBBOGWQJAVEIA-UHFFFAOYSA-N	1	0	368.481	2.162	40	30		FEEBRO
Cc1n(CCO)c([N+](=O)[O-])c[n+]1CC(=O)c1ccc(Cl)cc1Cl	ZINC000054362857	540585208	/nfs/dbraw/zinc/58/52/08/540585208.db2.gz	CCARFWGCBKKPCO-UHFFFAOYSA-N	1	0	359.189	2.174	40	30		FEEBRO
Cn1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cn1	ZINC000096228999	209140443	/nfs/dbraw/zinc/14/04/43/209140443.db2.gz	HMUDPVZMUMEADE-NRFANRHFSA-N	1	0	365.481	2.411	40	30		FEEBRO
C[NH+](C)CCCNc1nc(Nc2ccccc2C#N)cc(-c2cccnc2)n1	ZINC000328967504	553855121	/nfs/dbraw/zinc/85/51/21/553855121.db2.gz	CTVDLOOXOBRCCW-UHFFFAOYSA-N	1	0	373.464	2.361	40	30		FEEBRO
COC(=O)[C@@]1(CCC#N)C(=O)C[C@@H]2CC[C@H]1[N@H+]2Cc1cccc(OC)c1	ZINC000072341116	541800608	/nfs/dbraw/zinc/80/06/08/541800608.db2.gz	AETMTDBLOFOLKO-XAUMDUMWSA-N	1	0	356.422	2.464	40	30		FEEBRO
NC(=[NH2+])N=NC(C=Cc1ccc([N+](=O)[O-])o1)=CCc1ccc([N+](=O)[O-])o1	ZINC000031361239	208012672	/nfs/dbraw/zinc/01/26/72/208012672.db2.gz	XQCFHQBGMWUEMY-OKMRXIEXSA-N	1	0	360.286	2.045	40	30		FEEBRO
C=CCNC(=O)C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1	ZINC000004895229	539394936	/nfs/dbraw/zinc/39/49/36/539394936.db2.gz	ZXPRWTBLBVUGIL-UHFFFAOYSA-N	1	0	367.375	2.389	40	30		FEEBRO
COc1cc(C=CC(=O)C(CN(C)C)C[NH+](C)C)cc(OC)c1OC	ZINC000017139655	539639743	/nfs/dbraw/zinc/63/97/43/539639743.db2.gz	FRHCUPRMFQUAAT-HJWRWDBZSA-N	1	0	350.459	2.034	40	30		FEEBRO
COc1ccc2[nH]cc(CCNC(=[NH2+])Nc3ccc([N+](=O)[O-])cn3)c2c1	ZINC000225235307	525489877	/nfs/dbraw/zinc/48/98/77/525489877.db2.gz	KNUUPHYYZMPKJJ-UHFFFAOYSA-N	1	0	354.370	2.449	40	30		FEEBRO
Oc1ccc2ccccc2c1/C=N/NC(=S)N[C@H]1C[NH+]2CCC1CC2	ZINC000001657155	526355254	/nfs/dbraw/zinc/35/52/54/526355254.db2.gz	XFQFDFWONSBRIF-PBGVMVHZSA-N	1	0	354.479	2.438	40	30		FEEBRO
C#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc1	ZINC000019291460	210157216	/nfs/dbraw/zinc/15/72/16/210157216.db2.gz	UCSBWPYPTMNDQQ-HTZLVSCSSA-N	1	0	351.450	2.447	40	30		FEEBRO
Cc1nc(NC(=[NH2+])Nc2cccc(C(F)(F)F)c2)[nH]c(=O)c1CC#N	ZINC000020555602	220332892	/nfs/dbraw/zinc/33/28/92/220332892.db2.gz	GXDPTALWHOGEMZ-UHFFFAOYSA-N	1	0	350.304	2.222	40	30		FEEBRO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCO[C@H](C#N)C1	ZINC000282781275	551269935	/nfs/dbraw/zinc/26/99/35/551269935.db2.gz	FDLPHQNUZJPQQD-MSOLQXFVSA-N	1	0	356.470	2.221	40	30		FEEBRO
C[NH+](C)CCCNc1nc(Nc2cccc(F)c2C#N)cc(C2CC2)n1	ZINC000329050033	210132561	/nfs/dbraw/zinc/13/25/61/210132561.db2.gz	URWPRLXAWNUZRF-UHFFFAOYSA-N	1	0	354.433	2.316	40	30		FEEBRO
C=CC[N@@H+]1C[C@H]2CN(C(=O)c3csnn3)CC[C@]2(c2ccccc2)C1	ZINC000096083270	210093872	/nfs/dbraw/zinc/09/38/72/210093872.db2.gz	XDLIRAXVOWNIIO-QFBILLFUSA-N	1	0	354.479	2.440	40	30		FEEBRO
C=CC[N@@H+]1C[C@H]2CN(C(=O)c3csnn3)CC[C@@]2(c2ccccc2)C1	ZINC000248178416	518872379	/nfs/dbraw/zinc/87/23/79/518872379.db2.gz	XDLIRAXVOWNIIO-LPHOPBHVSA-N	1	0	354.479	2.440	40	30		FEEBRO
C[NH+](C)CCCNc1nc(Nc2ccccc2C#N)cc(C(F)(F)F)n1	ZINC000328992496	210129877	/nfs/dbraw/zinc/12/98/77/210129877.db2.gz	IVULHQYLDIXCCX-UHFFFAOYSA-N	1	0	364.375	2.318	40	30		FEEBRO
C=C1[C@@H](O)[C@]23C[C@H]1C(=O)C[C@H]2[C@]12[C@@H]4C[C@H]3[C@H]1[N@H+](CC)C[C@]4(C)CC[C@@H]2O	ZINC000028538801	263390315	/nfs/dbraw/zinc/39/03/15/263390315.db2.gz	CBOSLVQFGANWTL-DVPYZRQCSA-N	1	0	357.494	2.000	40	30	biogenic,in-vitro	FEEBRO
N#Cc1cccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)c1	ZINC000247633235	549366852	/nfs/dbraw/zinc/36/68/52/549366852.db2.gz	CEMCBJOJUDTIAK-PMACEKPBSA-N	1	0	352.438	2.205	40	30		FEEBRO
CC[NH+](CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(N)=S	ZINC000016957727	211173030	/nfs/dbraw/zinc/17/30/30/211173030.db2.gz	XHWUYFYYKFGRCQ-HFITWMCCSA-N	1	0	363.531	2.409	40	30		FEEBRO
COc1cc(C=CC(=O)C(CN(C)C)C[NH+](C)C)cc(OC)c1OC	ZINC000001582574	210359848	/nfs/dbraw/zinc/35/98/48/210359848.db2.gz	FRHCUPRMFQUAAT-CMDGGOBGSA-N	1	0	350.459	2.034	40	30		FEEBRO
C[NH+](C)C[C@H](/C(Cc1ccccc1)=N/NC(=S)NN)c1ccccc1	ZINC000006371984	539427210	/nfs/dbraw/zinc/42/72/10/539427210.db2.gz	WRKAJEFZCXGQOX-VPMFXMNOSA-N	1	0	355.511	2.268	40	30		FEEBRO
C[NH+](C)CCNc1nc(Nc2cccc(F)c2C#N)cc(C(F)(F)F)n1	ZINC000329036413	210132999	/nfs/dbraw/zinc/13/29/99/210132999.db2.gz	RIPVHEOWBVKXQZ-UHFFFAOYSA-N	1	0	368.338	2.067	40	30		FEEBRO
C=CCN1C[C@@H]2C[N@H+](CC3CCOCC3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055987	210094482	/nfs/dbraw/zinc/09/44/82/210094482.db2.gz	HOPAJGXEPCTSDY-ICSRJNTNSA-N	1	0	350.503	2.176	40	30		FEEBRO
N#Cc1ccc(N2CCC3(CCC(=O)N3CC[NH+]3CCCC3)CC2)nc1	ZINC000096228126	132222870	/nfs/dbraw/zinc/22/28/70/132222870.db2.gz	WLCQMZHCRZQQJL-UHFFFAOYSA-N	1	0	353.470	2.010	40	30		FEEBRO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCO[C@@H](C#N)C1	ZINC000282781281	551269795	/nfs/dbraw/zinc/26/97/95/551269795.db2.gz	FDLPHQNUZJPQQD-ROUUACIJSA-N	1	0	356.470	2.221	40	30		FEEBRO
CC[NH+]1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)CC1	ZINC000020756440	220340202	/nfs/dbraw/zinc/34/02/02/220340202.db2.gz	OURZJOAJOVHDAD-KFYPDWBNSA-N	1	0	362.514	2.149	40	30		FEEBRO
COc1cc2c(Cl)c(C#N)cnc2cc1OCCN1CC[NH+](C)CC1	ZINC000329013978	533147023	/nfs/dbraw/zinc/14/70/23/533147023.db2.gz	MTBXTVBGVILJKW-UHFFFAOYSA-N	1	0	360.845	2.395	40	30		FEEBRO
CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000245230330	548901706	/nfs/dbraw/zinc/90/17/06/548901706.db2.gz	PKFJLOBBSGMIMS-ZWKOTPCHSA-N	1	0	365.485	2.169	40	30		FEEBRO
C=C(C)C[NH+]1CCN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC1	ZINC000022916130	539702166	/nfs/dbraw/zinc/70/21/66/539702166.db2.gz	HBTWRGKICADIBC-UHFFFAOYSA-N	1	0	357.498	2.382	40	30		FEEBRO
Cc1noc(C)c1C[N@@H+]1C[C@@H]2OC[C@H](CCOc3ccc(C#N)cn3)[C@@H]2C1	ZINC000251998403	549660596	/nfs/dbraw/zinc/66/05/96/549660596.db2.gz	LMBBFFKDUXPPMJ-WDSOQIARSA-N	1	0	368.437	2.474	40	30		FEEBRO
CCOC(=O)CCc1c(C)nc(NC(=[NH2+])Nc2ccc(C)cc2C)[nH]c1=O	ZINC000020477912	520715365	/nfs/dbraw/zinc/71/53/65/520715365.db2.gz	JYQWLTUALCLYNP-UHFFFAOYSA-N	1	0	371.441	2.249	40	30		FEEBRO
Cn1c(/C=C2\CCc3cc(OCC[NH+](C)C)ccc3C2=O)ncc1[N+](=O)[O-]	ZINC000001562811	539342837	/nfs/dbraw/zinc/34/28/37/539342837.db2.gz	OMXBYAZWEHKRHC-SDNWHVSQSA-N	1	0	370.409	2.481	40	30		FEEBRO
Cn1c(/C=C2/Cc3cc(OCC[NH+](C)C)ccc3C2=O)ncc1[N+](=O)[O-]	ZINC000001562700	539343078	/nfs/dbraw/zinc/34/30/78/539343078.db2.gz	RXKZAWOROTYWDR-RAXLEYEMSA-N	1	0	356.382	2.091	40	30		FEEBRO
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@@H+]1CCCC[C@@H]1CO	ZINC000006623743	539431438	/nfs/dbraw/zinc/43/14/38/539431438.db2.gz	VQSWXEJDECKEJC-KWVZFDLSSA-N	1	0	363.498	2.360	40	30		FEEBRO
COc1cc(C=NNC(N)=[NH2+])ccc1OCc1nc2ccccc2nc1C	ZINC000016265359	521987907	/nfs/dbraw/zinc/98/79/07/521987907.db2.gz	MSWATMRCWKZNCW-LSHDLFTRSA-N	1	0	364.409	2.343	40	30		FEEBRO
C=CCn1c(O)c(C(=O)NCC[N+](C)(CC)CC)c(=O)c2ccccc21	ZINC000006821535	539438968	/nfs/dbraw/zinc/43/89/68/539438968.db2.gz	MFRMNHJXPDZNQB-UHFFFAOYSA-O	1	0	358.462	2.109	40	30		FEEBRO
C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@@H+]1CCCC[C@@H]1CO	ZINC000006623745	539431302	/nfs/dbraw/zinc/43/13/02/539431302.db2.gz	VQSWXEJDECKEJC-ZBINAFDESA-N	1	0	363.498	2.360	40	30		FEEBRO
Cn1c(/C=C2\Cc3cc(OCC[NH+](C)C)ccc3C2=O)ncc1[N+](=O)[O-]	ZINC000001562699	219411809	/nfs/dbraw/zinc/41/18/09/219411809.db2.gz	RXKZAWOROTYWDR-JLHYYAGUSA-N	1	0	356.382	2.091	40	30		FEEBRO
N#Cc1ccc(C[N@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cc1	ZINC000108536497	543293476	/nfs/dbraw/zinc/29/34/76/543293476.db2.gz	BGNADSOGGYZTSL-CTNGQTDRSA-N	1	0	353.466	2.409	40	30		FEEBRO
C=CCn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000012221341	539550806	/nfs/dbraw/zinc/55/08/06/539550806.db2.gz	XLOXTKFXSGKYBU-UHFFFAOYSA-N	1	0	355.486	2.117	40	30		FEEBRO
Cn1c(/C=C2/CCc3cc(OCC[NH+](C)C)ccc3C2=O)ncc1[N+](=O)[O-]	ZINC000001562812	204012137	/nfs/dbraw/zinc/01/21/37/204012137.db2.gz	OMXBYAZWEHKRHC-KAMYIIQDSA-N	1	0	370.409	2.481	40	30		FEEBRO
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[NH+](CCO)CCO)CC[C@H]21	ZINC000102806797	206230741	/nfs/dbraw/zinc/23/07/41/206230741.db2.gz	UTGGCPQMMNZKJB-KAGYGMCKSA-N	1	0	373.493	2.374	40	30		FEEBRO
C=CCNC(=O)Cn1nnc(-c2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1	ZINC000035290071	518903055	/nfs/dbraw/zinc/90/30/55/518903055.db2.gz	GAVMPCNDYSBKNS-OAHLLOKOSA-N	1	0	354.458	2.017	40	30		FEEBRO
Cn1c(/C=C2/Cc3ccc(OCC[NH+](C)C)cc3C2=O)ncc1[N+](=O)[O-]	ZINC000017064209	539639418	/nfs/dbraw/zinc/63/94/18/539639418.db2.gz	JJRNMSJFNVLPDG-LCYFTJDESA-N	1	0	356.382	2.091	40	30		FEEBRO
CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000019367093	539656344	/nfs/dbraw/zinc/65/63/44/539656344.db2.gz	PKFJLOBBSGMIMS-MSOLQXFVSA-N	1	0	365.485	2.169	40	30		FEEBRO
C#CCN1c2ccccc2C(=O)N[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000072341889	541800167	/nfs/dbraw/zinc/80/01/67/541800167.db2.gz	PUQHZQKTXNDJCL-CVDCTZTESA-N	1	0	373.456	2.287	40	30		FEEBRO
CC[NH+](CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(N)=S	ZINC000005809930	204225969	/nfs/dbraw/zinc/22/59/69/204225969.db2.gz	XHWUYFYYKFGRCQ-XWCAUFEOSA-N	1	0	363.531	2.409	40	30		FEEBRO
C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3csnn3)CC[C@]2(c2ccccc2)C1	ZINC000096083269	542991268	/nfs/dbraw/zinc/99/12/68/542991268.db2.gz	XDLIRAXVOWNIIO-VQIMIIECSA-N	1	0	354.479	2.440	40	30		FEEBRO
O=[N+]([O-])c1cc(/C=N/NC(=S)N[C@@H]2C[NH+]3CCC2CC3)ccc1Cl	ZINC000001657173	527325351	/nfs/dbraw/zinc/32/53/51/527325351.db2.gz	QAEPWEWYYUOSQG-QOSBVPTNSA-N	1	0	367.862	2.140	40	30		FEEBRO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCO[C@@H](C#N)C1	ZINC000282781283	551269746	/nfs/dbraw/zinc/26/97/46/551269746.db2.gz	FDLPHQNUZJPQQD-ZWKOTPCHSA-N	1	0	356.470	2.221	40	30		FEEBRO
N#Cc1ccc(OCC[C@H]2CO[C@H]3C[N@H+](Cc4ccccn4)C[C@@H]23)nc1	ZINC000306141578	553751468	/nfs/dbraw/zinc/75/14/68/553751468.db2.gz	WAXCGYAAXZUOOR-WDSOQIARSA-N	1	0	350.422	2.264	40	30		FEEBRO
C#CCC[NH+]1CCN(Cc2cn(CC(=O)NC3CC3)c3ccccc23)CC1	ZINC000022917299	539702470	/nfs/dbraw/zinc/70/24/70/539702470.db2.gz	NUHUHTOLAKHTSD-UHFFFAOYSA-N	1	0	364.493	2.061	40	30		FEEBRO
C=CC[N@H+]1CCOCC2(CCN(C(=O)c3cn(C)nc3C(F)F)CC2)C1	ZINC000585102468	571222913	/nfs/dbraw/zinc/22/29/13/571222913.db2.gz	UYHCBNPCOIQPES-UHFFFAOYSA-N	1	0	368.428	2.098	40	30		FEEBRO
CCOC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(C(C)C)cc2)n1	ZINC000013634037	539589243	/nfs/dbraw/zinc/58/92/43/539589243.db2.gz	MLZZNYMMVKXKNJ-UHFFFAOYSA-N	1	0	357.414	2.057	40	30		FEEBRO
Oc1ccc2ccccc2c1/C=N\NC(=S)N[C@@H]1C[NH+]2CCC1CC2	ZINC000017379810	539642345	/nfs/dbraw/zinc/64/23/45/539642345.db2.gz	XFQFDFWONSBRIF-LELXDKESSA-N	1	0	354.479	2.438	40	30		FEEBRO
C#CCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCO)cc1OCC	ZINC000019532182	539659410	/nfs/dbraw/zinc/65/94/10/539659410.db2.gz	QRETYUFHJBYENH-OALUTQOASA-N	1	0	358.482	2.128	40	30		FEEBRO
C=CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)OCO4)CCC[C@]2(C(=O)[O-])C1	ZINC000096064226	542990210	/nfs/dbraw/zinc/99/02/10/542990210.db2.gz	PGXJIMCLXOQFDS-JXFKEZNVSA-N	1	0	358.438	2.200	40	30		FEEBRO
C[NH+](C)CCCNc1nc(Nc2cccc(C#N)c2)cc(-c2ccccn2)n1	ZINC000328971675	553856092	/nfs/dbraw/zinc/85/60/92/553856092.db2.gz	DSDAWLJBHGTRCJ-UHFFFAOYSA-N	1	0	373.464	2.361	40	30		FEEBRO
CC[NH+](CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(N)=S	ZINC000005809928	204225430	/nfs/dbraw/zinc/22/54/30/204225430.db2.gz	XHWUYFYYKFGRCQ-JTMDUIFQSA-N	1	0	363.531	2.409	40	30		FEEBRO
C=CCOc1c(Br)cc(CNCC[NH2+]C[C@@H](C)O)cc1OC	ZINC000022076664	263385236	/nfs/dbraw/zinc/38/52/36/263385236.db2.gz	YYHJOBCKFLQTJL-GFCCVEGCSA-N	1	0	373.291	2.083	40	30		FEEBRO
CCOC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2cccc3ccccc32)n1	ZINC000020477887	520903688	/nfs/dbraw/zinc/90/36/88/520903688.db2.gz	NCSZHIQVRYOVMI-UHFFFAOYSA-N	1	0	365.393	2.087	40	30		FEEBRO
C[C@@H](O)C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H](C)OS(C)(=O)=O	ZINC000004991104	207069936	/nfs/dbraw/zinc/06/99/36/207069936.db2.gz	PBYLJDMUBGATNS-ZIAGYGMSSA-N	1	0	367.467	2.093	40	30		FEEBRO
N#Cc1ccc(C[N@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cc1	ZINC000253614406	549699220	/nfs/dbraw/zinc/69/92/20/549699220.db2.gz	BGNADSOGGYZTSL-FPOVZHCZSA-N	1	0	353.466	2.409	40	30		FEEBRO
C[NH+](C)CCCNc1nc(Nc2cccc(C#N)c2)cc(C(F)(F)F)n1	ZINC000328993782	553860927	/nfs/dbraw/zinc/86/09/27/553860927.db2.gz	JBVNKWKALWJVSM-UHFFFAOYSA-N	1	0	364.375	2.318	40	30		FEEBRO
Cn1c(/C=C2\Cc3ccc(OCC[NH+](C)C)cc3C2=O)ncc1[N+](=O)[O-]	ZINC000001562705	539342546	/nfs/dbraw/zinc/34/25/46/539342546.db2.gz	JJRNMSJFNVLPDG-UKTHLTGXSA-N	1	0	356.382	2.091	40	30		FEEBRO
C=CCn1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)c(C)n1	ZINC000019552343	539659670	/nfs/dbraw/zinc/65/96/70/539659670.db2.gz	PENGSJMUGXBYBW-BHIFYINESA-N	1	0	366.509	2.240	40	30		FEEBRO
C=CCNC(=O)Cn1nnc(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1	ZINC000035290072	518902852	/nfs/dbraw/zinc/90/28/52/518902852.db2.gz	GAVMPCNDYSBKNS-HNNXBMFYSA-N	1	0	354.458	2.017	40	30		FEEBRO
N#Cc1cccc(C[NH+]2CCC3(CC(NS(=O)(=O)C4CC4)C3)CC2)c1	ZINC000108533735	209290139	/nfs/dbraw/zinc/29/01/39/209290139.db2.gz	FFPLXVMUGRRRQI-UHFFFAOYSA-N	1	0	359.495	2.385	40	30		FEEBRO
CCOC(=O)C(=CNS(=O)(=O)c1ccc(C)cc1)[n+]1ccc(C)cc1	ZINC000104197431	209259947	/nfs/dbraw/zinc/25/99/47/209259947.db2.gz	SBMINKWPQIHDMZ-NFBGKYEXSA-N	1	0	361.443	2.155	40	30		FEEBRO
C=CCOc1c(Br)cc(CNCC[NH2+]C[C@H](C)O)cc1OC	ZINC000022076666	263385019	/nfs/dbraw/zinc/38/50/19/263385019.db2.gz	YYHJOBCKFLQTJL-LBPRGKRZSA-N	1	0	373.291	2.083	40	30		FEEBRO
[NH3+]CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000022079086	539691032	/nfs/dbraw/zinc/69/10/32/539691032.db2.gz	OFIMDJSHJPTAGE-MRXNPFEDSA-N	1	0	367.361	2.132	40	30		FEEBRO
CCOCCn1c(C#N)cc(N)c1N1CC[NH+](Cc2ccccc2)CC1	ZINC000225872300	209841201	/nfs/dbraw/zinc/84/12/01/209841201.db2.gz	FIUNGBAGUGXWBF-UHFFFAOYSA-N	1	0	353.470	2.301	40	30		FEEBRO
Cn1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)cn1	ZINC000096228998	209141048	/nfs/dbraw/zinc/14/10/48/209141048.db2.gz	HMUDPVZMUMEADE-OAQYLSRUSA-N	1	0	365.481	2.411	40	30		FEEBRO
C#CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1	ZINC000019291462	539654775	/nfs/dbraw/zinc/65/47/75/539654775.db2.gz	VILSSZWJAOOYTI-HTZLVSCSSA-N	1	0	351.450	2.447	40	30		FEEBRO
CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(Cc1cccc(C#N)c1)CC2	ZINC000096230259	209140341	/nfs/dbraw/zinc/14/03/41/209140341.db2.gz	GKLPBPGXCPAWJF-UHFFFAOYSA-N	1	0	354.498	2.323	40	30		FEEBRO
CC(=O)Nc1ccc(C#CC2(NC(=O)C[NH+]3CCCC3)CCCCC2)cn1	ZINC000012219580	210139919	/nfs/dbraw/zinc/13/99/19/210139919.db2.gz	YJONHJXJZBAAOF-UHFFFAOYSA-N	1	0	368.481	2.306	40	30		FEEBRO
O=[N+]([O-])c1cc(/C=N\NC(=S)N[C@@H]2C[NH+]3CCC2CC3)ccc1Cl	ZINC000033615406	539975518	/nfs/dbraw/zinc/97/55/18/539975518.db2.gz	QAEPWEWYYUOSQG-RSQQOUAVSA-N	1	0	367.862	2.140	40	30		FEEBRO
C=CC[N@@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	ZINC000067870666	541522430	/nfs/dbraw/zinc/52/24/30/541522430.db2.gz	TZBAJGYVKONBAK-IRFCIJBXSA-N	1	0	370.541	2.311	40	30	biogenic,in-vitro	FEEBRO
Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccc(C#N)cn3)C2)n1	ZINC000096109099	222028184	/nfs/dbraw/zinc/02/81/84/222028184.db2.gz	GEFRMVMSIOSMAG-XLIONFOSSA-N	1	0	350.422	2.184	40	30		FEEBRO
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@@H+]1CCCC[C@@H]1CO	ZINC000006623744	539431356	/nfs/dbraw/zinc/43/13/56/539431356.db2.gz	VQSWXEJDECKEJC-KJZYVHILSA-N	1	0	363.498	2.360	40	30		FEEBRO
C[NH+]1CCC(N=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1	ZINC000006169399	539422692	/nfs/dbraw/zinc/42/26/92/539422692.db2.gz	ARHOCKKMGZBCLU-UHFFFAOYSA-N	1	0	372.521	2.346	40	30		FEEBRO
Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1	ZINC000096109097	222028359	/nfs/dbraw/zinc/02/83/59/222028359.db2.gz	FNYHTHRIKUIDDV-APWZRJJASA-N	1	0	354.410	2.086	40	30		FEEBRO
N#Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)c1	ZINC000247633238	549366908	/nfs/dbraw/zinc/36/69/08/549366908.db2.gz	CEMCBJOJUDTIAK-VQTJNVASSA-N	1	0	352.438	2.205	40	30		FEEBRO
C#CCC[NH+]1CCN(Cc2cn(CC(=O)NC(C)C)c3ccccc23)CC1	ZINC000023247912	539710016	/nfs/dbraw/zinc/71/00/16/539710016.db2.gz	IEMQUZPGCJMEPA-UHFFFAOYSA-N	1	0	366.509	2.307	40	30		FEEBRO
NC(=[NH2+])N=NC(C=Cc1ccc([N+](=O)[O-])o1)=CCc1ccc([N+](=O)[O-])o1	ZINC000031361237	539906580	/nfs/dbraw/zinc/90/65/80/539906580.db2.gz	XQCFHQBGMWUEMY-CCAGOZQPSA-N	1	0	360.286	2.045	40	30		FEEBRO
CCOC(=O)C(=CNS(=O)(=O)c1ccc(C)cc1)[n+]1ccc(C)cc1	ZINC000017105846	211178946	/nfs/dbraw/zinc/17/89/46/211178946.db2.gz	SBMINKWPQIHDMZ-AMRJIULGSA-N	1	0	361.443	2.155	40	30		FEEBRO
N#Cc1cc(N)c(N2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H]1CCCO1	ZINC000225871989	548745103	/nfs/dbraw/zinc/74/51/03/548745103.db2.gz	NQVBRYRSXDMIJC-IBGZPJMESA-N	1	0	365.481	2.443	40	30		FEEBRO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCO[C@H](C#N)C1	ZINC000282781278	551269708	/nfs/dbraw/zinc/26/97/08/551269708.db2.gz	FDLPHQNUZJPQQD-QZTJIDSGSA-N	1	0	356.470	2.221	40	30		FEEBRO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccc2cccnc21	ZINC000008300028	539483595	/nfs/dbraw/zinc/48/35/95/539483595.db2.gz	IGNAXEUENHNMHX-BHYGNILZSA-N	1	0	357.479	2.410	40	30	biogenic,in-vitro	FEEBRO
C[C@H](C[N@H+](Cc1c(O)ccc2ccccc21)C[C@H](C)O)OS(C)(=O)=O	ZINC000001701323	210365174	/nfs/dbraw/zinc/36/51/74/210365174.db2.gz	PBYLJDMUBGATNS-UONOGXRCSA-N	1	0	367.467	2.093	40	30		FEEBRO
N#Cc1ccc(C[NH+]2CCC3(CC(NS(=O)(=O)C4CC4)C3)CC2)cc1	ZINC000108525229	543292635	/nfs/dbraw/zinc/29/26/35/543292635.db2.gz	NTFQZEUNDRTLQM-UHFFFAOYSA-N	1	0	359.495	2.385	40	30		FEEBRO
C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(C(=O)OC)c1	ZINC000008254609	539481708	/nfs/dbraw/zinc/48/17/08/539481708.db2.gz	INOPSFKGBHUBJL-GRDNDAEWSA-N	1	0	357.479	2.103	40	30	biogenic,in-vitro	FEEBRO
O=[N+]([O-])c1cc(/C=N\NC(=S)N[C@H]2C[NH+]3CCC2CC3)ccc1Cl	ZINC000033615408	539975301	/nfs/dbraw/zinc/97/53/01/539975301.db2.gz	QAEPWEWYYUOSQG-KCXFFNSDSA-N	1	0	367.862	2.140	40	30		FEEBRO
CCOC(=O)C(=CNS(=O)(=O)c1ccc(C)cc1)[n+]1ccc(C)cc1	ZINC000017105844	220205052	/nfs/dbraw/zinc/20/50/52/220205052.db2.gz	SBMINKWPQIHDMZ-HNMKQIAWSA-N	1	0	361.443	2.155	40	30		FEEBRO
C=CCc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CCO)cc(OC)c1OC	ZINC000019549461	220268425	/nfs/dbraw/zinc/26/84/25/220268425.db2.gz	CFXULQAHMZDUGC-MOPGFXCFSA-N	1	0	360.498	2.463	40	30		FEEBRO
C=CCn1ncc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)c1C	ZINC000019554467	220271189	/nfs/dbraw/zinc/27/11/89/220271189.db2.gz	LYYKJXVFPKOYGJ-FDFHNCONSA-N	1	0	366.509	2.240	40	30		FEEBRO
C[NH+](C)CCCNc1nc(Nc2ccccc2C#N)cc(-c2ccncc2)n1	ZINC000329049571	223131339	/nfs/dbraw/zinc/13/13/39/223131339.db2.gz	UQIRGCUFEVGEOG-UHFFFAOYSA-N	1	0	373.464	2.361	40	30		FEEBRO
C[NH+](C)CCCNc1nc(Nc2ccccc2C#N)cc(-c2ccccn2)n1	ZINC000329003893	223128049	/nfs/dbraw/zinc/12/80/49/223128049.db2.gz	KOYCRVJPPHZNLN-UHFFFAOYSA-N	1	0	373.464	2.361	40	30		FEEBRO
C[NH+](C)C[C@@H](/C(Cc1ccccc1)=N/NC(=S)NN)c1ccccc1	ZINC000017211443	220209865	/nfs/dbraw/zinc/20/98/65/220209865.db2.gz	WRKAJEFZCXGQOX-SFAXUQRRSA-N	1	0	355.511	2.268	40	30		FEEBRO
C#CCN(C)Cc1nc(C2(O)CC[NH+](Cc3ccccc3O)CC2)cs1	ZINC000225469882	548735040	/nfs/dbraw/zinc/73/50/40/548735040.db2.gz	IDQTVQSVIVADAR-UHFFFAOYSA-N	1	0	371.506	2.397	40	30	biogenic,in-vitro	FEEBRO
CN(C)C(=O)C[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccccc1C#N)CC2	ZINC000585100593	571124598	/nfs/dbraw/zinc/12/45/98/571124598.db2.gz	OWNBXYKAPUCBDG-OAQYLSRUSA-N	1	0	368.481	2.107	40	30		FEEBRO
C[NH+](C)CCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1	ZINC000019582359	220275162	/nfs/dbraw/zinc/27/51/62/220275162.db2.gz	PPTCHYNZSHSDOY-UHFFFAOYSA-N	1	0	373.460	2.349	40	30		FEEBRO
COc1ccc2[nH]cc(CCNC(=[NH2+])Nc3ncccc3[N+](=O)[O-])c2c1	ZINC000225241978	525490787	/nfs/dbraw/zinc/49/07/87/525490787.db2.gz	PXIJMKSOUGIZHR-UHFFFAOYSA-N	1	0	354.370	2.449	40	30		FEEBRO
C[NH+](C)CCCNc1nc(Nc2cccc(C#N)c2)cc(-c2ccncc2)n1	ZINC000329022661	223129972	/nfs/dbraw/zinc/12/99/72/223129972.db2.gz	OOTUZYQLRKONDP-UHFFFAOYSA-N	1	0	373.464	2.361	40	30		FEEBRO
CC[NH+]1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@@H]32)CC1	ZINC000022457775	220386310	/nfs/dbraw/zinc/38/63/10/220386310.db2.gz	OURZJOAJOVHDAD-JLKUWVSASA-N	1	0	362.514	2.149	40	30		FEEBRO
C=CCN1CC[C@]2(C[N@H+](Cc3nccn3C)C[C@H]2c2ccccc2)C1=O	ZINC000096201893	542995374	/nfs/dbraw/zinc/99/53/74/542995374.db2.gz	LMOIHCATWAYEEN-GHTZIAJQSA-N	1	0	350.466	2.424	40	30		FEEBRO
C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3csnn3)CC[C@@]2(c2ccccc2)C1	ZINC000248178415	518872764	/nfs/dbraw/zinc/87/27/64/518872764.db2.gz	XDLIRAXVOWNIIO-APWZRJJASA-N	1	0	354.479	2.440	40	30		FEEBRO
Cc1cc(C)nc(NC(=[NH2+])N2CCN(c3nsc4ccccc43)CC2)n1	ZINC000016283477	220182560	/nfs/dbraw/zinc/18/25/60/220182560.db2.gz	CRGFGMBWTKENQP-UHFFFAOYSA-N	1	0	367.482	2.472	40	30		FEEBRO
C#CCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CCO)cc1OCC	ZINC000019532184	220268254	/nfs/dbraw/zinc/26/82/54/220268254.db2.gz	QRETYUFHJBYENH-MOPGFXCFSA-N	1	0	358.482	2.128	40	30		FEEBRO
CCOC(=O)C(=CNS(=O)(=O)c1ccc(C)cc1)[n+]1ccc(C)cc1	ZINC000104197426	222352768	/nfs/dbraw/zinc/35/27/68/222352768.db2.gz	SBMINKWPQIHDMZ-MCRQTXEHSA-N	1	0	361.443	2.155	40	30		FEEBRO
N#Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)c1	ZINC000096063385	222008307	/nfs/dbraw/zinc/00/83/07/222008307.db2.gz	CEMCBJOJUDTIAK-WOJBJXKFSA-N	1	0	352.438	2.205	40	30		FEEBRO
C#CC[N@@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(OC)cc1	ZINC000015672692	518255598	/nfs/dbraw/zinc/25/55/98/518255598.db2.gz	JEWYUPFLPVZFKJ-JENIJYKNSA-N	1	0	370.497	2.092	40	30	biogenic,in-vitro	FEEBRO
C=CCN(C)C(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1	ZINC000008298137	560108381	/nfs/dbraw/zinc/10/83/81/560108381.db2.gz	OBLDXPMLBOZDAR-QRVBRYPASA-N	1	0	365.481	2.300	40	30	biogenic,in-vitro	FEEBRO
N#Cc1ccc(C[N@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cc1	ZINC000253614407	549699483	/nfs/dbraw/zinc/69/94/83/549699483.db2.gz	BGNADSOGGYZTSL-PZJWPPBQSA-N	1	0	353.466	2.409	40	30		FEEBRO