smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000045391556	175374633	/nfs/dbraw/zinc/37/46/33/175374633.db2.gz	SHCDPNDDZNHAAN-UHFFFAOYSA-N	1	0	298.327	3.156	1	5		CGBFRO
Clc1ccc(/C=C/CN2CC[N+]3(CCCC3)CC2)cc1	ZINC000029334621	717118380	/nfs/dbraw/zinc/11/83/80/717118380.db2.gz	VTLZWMNTMFKOJF-ONEGZZNKSA-N	1	0	291.846	3.279	1	5		CGBFRO
C[C@H]1CCCC[N+]1(C)CCCOC(=O)c1ccccc1	ZINC000042988560	717128496	/nfs/dbraw/zinc/12/84/96/717128496.db2.gz	WSVYVKXJAAODMB-BUSXIPJBSA-N	1	0	276.400	3.253	1	5		CGBFRO
C[C@H](COc1ccccc1)[N+]1(Cc2ccccc2)CC1	ZINC000169332745	188659283	/nfs/dbraw/zinc/65/92/83/188659283.db2.gz	YAXHTYSSJPQYRF-MRXNPFEDSA-N	1	0	268.380	3.485	1	5		CGBFRO
CC(=O)Oc1ccc([N+](C)(C)Cc2ccccc2)cc1	ZINC000013586883	717108424	/nfs/dbraw/zinc/10/84/24/717108424.db2.gz	VTNCHRGQONOQRD-UHFFFAOYSA-N	1	0	270.352	3.379	1	5		CGBFRO
C[N+]12CCc3ccccc3[C@H]1Cc1ccccc1C2	ZINC000085598674	717136996	/nfs/dbraw/zinc/13/69/96/717136996.db2.gz	YXEKXCPIKGSIDD-MRTLOADZSA-N	1	0	250.365	3.487	1	5	in-vitro	CGBFRO
Cc1cc2c3c(cc(C)[n+]2nc1C)[nH]c1ccccc13	ZINC000029228684	171590588	/nfs/dbraw/zinc/59/05/88/171590588.db2.gz	FFMNIHWZXCAXHL-UHFFFAOYSA-O	1	0	262.336	3.380	1	5		CGBFRO
C[N+]1(C)CCC(COC(=O)Nc2cccc(Cl)c2)CC1	ZINC000028760087	717115863	/nfs/dbraw/zinc/11/58/63/717115863.db2.gz	HDZWWEKCXADDLR-UHFFFAOYSA-O	1	0	297.806	3.375	1	5		CGBFRO
COc1ccc2c(c1)CC[N+]1(C)CCc3ccccc3[C@@H]21	ZINC000034641926	171846641	/nfs/dbraw/zinc/84/66/41/171846641.db2.gz	ICPCBSSZIHJQET-XJDOXCRVSA-N	1	0	280.391	3.343	1	5		CGBFRO
CC[C@@]12CCC[N+]3(CC[C@]4(O)c5ccccc5N[C@@]43CC1)C2	ZINC000038230188	717126279	/nfs/dbraw/zinc/12/62/79/717126279.db2.gz	YMRLYQGSGLAWTN-HQPYMTOTSA-N	1	0	299.438	3.201	1	5		CGBFRO
C[N+]1(C)CCCC[C@H]1CCC(=O)c1cccs1	ZINC000013554231	717108753	/nfs/dbraw/zinc/10/87/53/717108753.db2.gz	NQZMPARFCJGCTO-LBPRGKRZSA-N	1	0	252.403	3.340	1	5		CGBFRO
C[N+]1([C@H]2CCCC[C@H]2O)CCC(c2ccccc2)CC1	ZINC000028230272	717115209	/nfs/dbraw/zinc/11/52/09/717115209.db2.gz	WAKPFUAAFAMBSZ-CXUOOODFSA-N	1	0	274.428	3.314	1	5		CGBFRO
C[N+](C)(C)C[C@H]1C[C@H]1COC(=O)Nc1ccc(Cl)cc1	ZINC000169336773	717155922	/nfs/dbraw/zinc/15/59/22/717155922.db2.gz	SWDNIGTZUQHJGU-NEPJUHHUSA-O	1	0	297.806	3.231	1	5		CGBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2	ZINC000253979292	717169591	/nfs/dbraw/zinc/16/95/91/717169591.db2.gz	KVDHVTQKKLVMJD-WDNDVIMCSA-O	1	0	299.394	3.095	1	5		CGBFRO
CC[N+]1(CC)CCN(c2ccc(Cl)cc2)CC1	ZINC000653788955	717188014	/nfs/dbraw/zinc/18/80/14/717188014.db2.gz	JJJPLNRLPBKKAE-UHFFFAOYSA-N	1	0	253.797	3.017	1	5		CGBFRO
CCCC[n+]1ccc2c3ccccc3n3c2c1ccc3=O	ZINC000038239188	174137528	/nfs/dbraw/zinc/13/75/28/174137528.db2.gz	MKOQZQVHXYFAIZ-UHFFFAOYSA-N	1	0	277.347	3.131	1	5		CGBFRO
NC(=[NH2+])c1ccc(-c2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000045387263	175372694	/nfs/dbraw/zinc/37/26/94/175372694.db2.gz	QRZVPIXXSVGAOR-UHFFFAOYSA-N	1	0	298.327	3.156	1	5		CGBFRO
C[N+]1(C)CCN(c2nc3ccccc3c3c2CCCC3)CC1	ZINC000013778668	717109150	/nfs/dbraw/zinc/10/91/50/717109150.db2.gz	YYRWMHFDEFDRNC-UHFFFAOYSA-N	1	0	296.438	3.010	1	5		CGBFRO
C[N@@H+]1Cc2ccccc2[C@@H]1C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000072105146	176316212	/nfs/dbraw/zinc/31/62/12/176316212.db2.gz	VKFHOFPVMOYWOW-IRXDYDNUSA-N	1	0	298.342	3.205	1	5		CGBFRO
CC(=O)Oc1cccc([N+](C)(C)Cc2ccccc2)c1	ZINC000013586882	717108593	/nfs/dbraw/zinc/10/85/93/717108593.db2.gz	ALIUCTAJBRBKRF-UHFFFAOYSA-N	1	0	270.352	3.379	1	5		CGBFRO
COc1ccc2c(c1)[nH]c1c2cc[n+]2nc(C)c(C)cc12	ZINC000026577935	171493457	/nfs/dbraw/zinc/49/34/57/171493457.db2.gz	FPZVYLTVTLKSTK-UHFFFAOYSA-O	1	0	278.335	3.080	1	5		CGBFRO
COc1ccc2c(c1)c[n+](C)c1ccc(Cl)cc21	ZINC000169349272	188660335	/nfs/dbraw/zinc/66/03/35/188660335.db2.gz	ICTVMDKEUMPSQN-UHFFFAOYSA-N	1	0	258.728	3.480	1	5		CGBFRO
CC[N+](CC)(CC)COC(=O)C1(c2ccccc2)CC1	ZINC000027527039	717114549	/nfs/dbraw/zinc/11/45/49/717114549.db2.gz	JXCNJUVCEYQZES-UHFFFAOYSA-N	1	0	276.400	3.095	1	5		CGBFRO
C[N+]1([C@H]2CCCC[C@@H]2O)CCC(c2ccccc2)CC1	ZINC000028230266	717115261	/nfs/dbraw/zinc/11/52/61/717115261.db2.gz	WAKPFUAAFAMBSZ-YBXZHIRMSA-N	1	0	274.428	3.314	1	5		CGBFRO
OCCNc1[nH+]c2ccccc2c2[nH]c3ccccc3c21	ZINC000045364131	175362478	/nfs/dbraw/zinc/36/24/78/175362478.db2.gz	BKCCPNSLLMMITP-UHFFFAOYSA-N	1	0	277.327	3.274	1	5		CGBFRO
C[N@@H+]1Cc2ccccc2[C@@H]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000072106500	176316633	/nfs/dbraw/zinc/31/66/33/176316633.db2.gz	VKFHOFPVMOYWOW-DLBZAZTESA-N	1	0	298.342	3.205	1	5		CGBFRO
CCCC[C@@H]1[C@@H](O)CCC[C@@]12CCCC[N+]2(C)C	ZINC000028007271	717115268	/nfs/dbraw/zinc/11/52/68/717115268.db2.gz	UUBPJEKTUBNTEF-PMPSAXMXSA-N	1	0	254.438	3.337	1	5		CGBFRO
C[C@H]1C[C@@H](CC2CCCC[N+]2=O)[C@H]2CCC[N+](C)([O-])[C@H]2C1	ZINC000238772244	717163044	/nfs/dbraw/zinc/16/30/44/717163044.db2.gz	CJAWLAWAWJGSJC-BPYDJXEZSA-N	1	0	294.439	3.281	1	5		CGBFRO
COc1ccc2c(c1)CC[N@+]1(C)CCc3ccccc3[C@H]21	ZINC000253778443	717168396	/nfs/dbraw/zinc/16/83/96/717168396.db2.gz	ICPCBSSZIHJQET-UXHICEINSA-N	1	0	280.391	3.343	1	5		CGBFRO
CCCC1=Cc2cc3c(cc2[C@H]1[N+](C)(C)C)OCO3	ZINC000040496876	174295102	/nfs/dbraw/zinc/29/51/02/174295102.db2.gz	YXRBXFNJPHGRNC-INIZCTEOSA-N	1	0	260.357	3.360	1	5		CGBFRO
c1ccc(N2CC[N+]3(CCc4ccccc43)CC2)cc1	ZINC000066079390	717132722	/nfs/dbraw/zinc/13/27/22/717132722.db2.gz	WCWYUMNPEYQBNI-UHFFFAOYSA-N	1	0	265.380	3.070	1	5		CGBFRO
Cc1c2c(c(C)c(O)c1C)[C@H](C[N+](C)(C)C)C(C)(C)O2	ZINC000003798020	717097250	/nfs/dbraw/zinc/09/72/50/717097250.db2.gz	PRWWNIHPPMMWDQ-ZDUSSCGKSA-O	1	0	278.416	3.278	1	5		CGBFRO
C/C=C1/C[N+]23CC[C@@H]1[C@]2(C)c1[nH]c2ccc(O)cc2c1CC3	ZINC000238776644	717163204	/nfs/dbraw/zinc/16/32/04/717163204.db2.gz	MCUJFUBBJCKKJK-OGLSVZGESA-O	1	0	295.406	3.441	1	5		CGBFRO
C[C@@H](c1ccccc1)[C@H]1OC[C@H](C[N+]2(C)CCCCC2)O1	ZINC000004185223	717097935	/nfs/dbraw/zinc/09/79/35/717097935.db2.gz	JGEAUUUFVBZFSN-SZMVWBNQSA-N	1	0	290.427	3.162	1	5		CGBFRO
C[N+](C)(C)CCOc1ccc(/C=C/c2ccccc2)nc1	ZINC000036079928	717125051	/nfs/dbraw/zinc/12/50/51/717125051.db2.gz	JSGRTNOWLCESCT-MDZDMXLPSA-N	1	0	283.395	3.337	1	5		CGBFRO
C[N@@H+]1Cc2ccccc2[C@H]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000072104835	176315892	/nfs/dbraw/zinc/31/58/92/176315892.db2.gz	VKFHOFPVMOYWOW-IAGOWNOFSA-N	1	0	298.342	3.205	1	5		CGBFRO
C[N+]12CCc3ccccc3[C@@H]1Cc1ccccc1C2	ZINC000013550562	560219813	/nfs/dbraw/zinc/21/98/13/560219813.db2.gz	YXEKXCPIKGSIDD-OYKVQYDMSA-N	1	0	250.365	3.487	1	5	in-vitro	CGBFRO
Cc1c2c(c(C)c(O)c1C)[C@@H](C[N+](C)(C)C)C(C)(C)O2	ZINC000000017058	717087651	/nfs/dbraw/zinc/08/76/51/717087651.db2.gz	PRWWNIHPPMMWDQ-CYBMUJFWSA-O	1	0	278.416	3.278	1	5		CGBFRO
C[N@@H+]1Cc2ccccc2[C@H]1C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000072106096	176316459	/nfs/dbraw/zinc/31/64/59/176316459.db2.gz	VKFHOFPVMOYWOW-SJORKVTESA-N	1	0	298.342	3.205	1	5		CGBFRO
C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1	ZINC000013858583	717109857	/nfs/dbraw/zinc/10/98/57/717109857.db2.gz	ICKYAYPRNVIBMO-GOSISDBHSA-N	1	0	298.406	3.009	1	5		CGBFRO
COc1cc2c(cc1OC)[C@@H](CC(C)C)[N+](C)(C)CC2	ZINC000040575992	174341294	/nfs/dbraw/zinc/34/12/94/174341294.db2.gz	NJITUFVIVRZSNR-OAHLLOKOSA-N	1	0	278.416	3.424	1	5		CGBFRO
COc1ccc2c(c1)CC[N@@+]1(C)CCc3ccccc3[C@H]21	ZINC000253778458	717168137	/nfs/dbraw/zinc/16/81/37/717168137.db2.gz	ICPCBSSZIHJQET-WOJBJXKFSA-N	1	0	280.391	3.343	1	5		CGBFRO
CCc1ccccc1SC(=O)OCC[N+](C)(C)C	ZINC000013765297	717109585	/nfs/dbraw/zinc/10/95/85/717109585.db2.gz	QKHHDZBHOMQEPG-UHFFFAOYSA-N	1	0	268.402	3.184	1	5		CGBFRO
C[N+]1([C@@H]2CCCC[C@@H]2O)CCC(c2ccccc2)CC1	ZINC000028230262	717115019	/nfs/dbraw/zinc/11/50/19/717115019.db2.gz	WAKPFUAAFAMBSZ-IAFLDTSXSA-N	1	0	274.428	3.314	1	5		CGBFRO
CCc1ccc(SC(=O)OCC[N+](C)(C)C)cc1	ZINC000013765294	717109390	/nfs/dbraw/zinc/10/93/90/717109390.db2.gz	AGUNHRMMKYCFLG-UHFFFAOYSA-N	1	0	268.402	3.184	1	5		CGBFRO
COc1ccc2c(c1)CC[N+]1(C)CCc3ccccc3[C@H]21	ZINC000034641925	717124627	/nfs/dbraw/zinc/12/46/27/717124627.db2.gz	ICPCBSSZIHJQET-FIWHBWSRSA-N	1	0	280.391	3.343	1	5		CGBFRO
O=[N+]([O-])c1ccccc1O[C@H](c1ccccc1)[C@@H]1CC[NH2+]C1	ZINC000095592496	185013607	/nfs/dbraw/zinc/01/36/07/185013607.db2.gz	RRGCJEHCXSKPFY-RHSMWYFYSA-N	1	0	298.342	3.324	1	5		CGBFRO
CN(C)C1=[NH+][C@H](c2ccc([N+](=O)[O-])cc2)c2ccccc2C1	ZINC000026576033	171493587	/nfs/dbraw/zinc/49/35/87/171493587.db2.gz	FOJSNOUIGCFVLV-QGZVFWFLSA-N	1	0	295.342	3.200	1	5		CGBFRO
CC[N+]1(CC)CCN(c2cccc(Cl)c2)CC1	ZINC000653788958	717188086	/nfs/dbraw/zinc/18/80/86/717188086.db2.gz	KEOABNJAVBXBML-UHFFFAOYSA-N	1	0	253.797	3.017	1	5		CGBFRO
C[N+](C)(C)CC1c2ccccc2Cc2ccccc21	ZINC000027729206	171530458	/nfs/dbraw/zinc/53/04/58/171530458.db2.gz	XQPVDYZHVQVGKP-UHFFFAOYSA-N	1	0	252.381	3.429	1	5		CGBFRO
C[N+]1(C)CCCC[C@H]1CCC(=O)c1ccc(F)cc1	ZINC000013554236	717108726	/nfs/dbraw/zinc/10/87/26/717108726.db2.gz	SQZRWTSJUPZFND-HNNXBMFYSA-N	1	0	264.364	3.418	1	5		CGBFRO
C[C@@H]1CCCC[N+]1(C)CCCOC(=O)c1ccccc1	ZINC000042988559	717128175	/nfs/dbraw/zinc/12/81/75/717128175.db2.gz	WSVYVKXJAAODMB-NNJIEVJOSA-N	1	0	276.400	3.253	1	5		CGBFRO
CC[N+]1(CC)CCN(c2ccccc2Cl)CC1	ZINC000653791853	717188061	/nfs/dbraw/zinc/18/80/61/717188061.db2.gz	FNAJYTSRXDKNHA-UHFFFAOYSA-N	1	0	253.797	3.017	1	5		CGBFRO
O=[N+]([O-])c1ccc(-c2cncc([C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)c2)cc1	ZINC000029123210	171586065	/nfs/dbraw/zinc/58/60/65/171586065.db2.gz	CRROBCHEYASOQD-PVAVHDDUSA-N	1	0	295.342	3.265	1	5		CGBFRO
CC(=O)n1c2ccccc2c2c1cc1ccccc1[n+]2C	ZINC000038539495	174145545	/nfs/dbraw/zinc/14/55/45/174145545.db2.gz	FYHAJWZGRZHKMZ-UHFFFAOYSA-N	1	0	275.331	3.432	1	5		CGBFRO
C[N+]1(COC(=O)C2(c3ccccc3)CCCC2)CCCC1	ZINC000027546750	171519930	/nfs/dbraw/zinc/51/99/30/171519930.db2.gz	UPTREWRZHIYVKX-UHFFFAOYSA-N	1	0	288.411	3.240	1	5		CGBFRO
CCC[C@@H]1Cc2cc3c(cc2[C@@H]1[N+](C)(C)C)OCO3	ZINC000040496897	174295270	/nfs/dbraw/zinc/29/52/70/174295270.db2.gz	RXMPRZLNXRGTPG-BDJLRTHQSA-N	1	0	262.373	3.135	1	5		CGBFRO
CC[N+](CC)(CC)CC1=CC(C)(C)N(O)C1(C)C	ZINC000101964888	717145235	/nfs/dbraw/zinc/14/52/35/717145235.db2.gz	STYIRFURQMGWEV-UHFFFAOYSA-N	1	0	254.418	3.008	1	5		CGBFRO
C[N+]1(C)CCCC[C@@H]1CCC(=O)c1ccc(F)cc1	ZINC000013554235	717108666	/nfs/dbraw/zinc/10/86/66/717108666.db2.gz	SQZRWTSJUPZFND-OAHLLOKOSA-N	1	0	264.364	3.418	1	5		CGBFRO
CC[N+]1(CC)CCN(c2cccc(Br)c2)CC1	ZINC000653787393	717188000	/nfs/dbraw/zinc/18/80/00/717188000.db2.gz	INBJDSQICAQPNW-UHFFFAOYSA-N	1	0	298.248	3.126	1	5		CGBFRO
C[N+]1(C)CCCC[C@@H]1CCC(=O)c1cccs1	ZINC000013554230	170561188	/nfs/dbraw/zinc/56/11/88/170561188.db2.gz	NQZMPARFCJGCTO-GFCCVEGCSA-N	1	0	252.403	3.340	1	5		CGBFRO
CCc1c[n+]2ccc3c4ccccc4[nH]c3c2cc1CCO	ZINC000071332179	176125532	/nfs/dbraw/zinc/12/55/32/176125532.db2.gz	XHUIUBANZNHJEL-UHFFFAOYSA-O	1	0	291.374	3.157	1	5		CGBFRO
Clc1cccc(/C=C/CN2CC[N+]3(CCCC3)CC2)c1	ZINC000029323333	717118615	/nfs/dbraw/zinc/11/86/15/717118615.db2.gz	WOUHCVGOZZVKNL-GQCTYLIASA-N	1	0	291.846	3.279	1	5		CGBFRO
C[n+]1c2c(cc3ccccc31)[nH]c1ccc([N+](=O)[O-])cc12	ZINC000026963781	171504080	/nfs/dbraw/zinc/50/40/80/171504080.db2.gz	HXRGYKPTKACJDO-UHFFFAOYSA-O	1	0	278.291	3.207	1	5		CGBFRO
C[C@@H](c1ccccc1)[C@H]1OC[C@@H](C[N+]2(C)CCCCC2)O1	ZINC000013572478	717108345	/nfs/dbraw/zinc/10/83/45/717108345.db2.gz	JGEAUUUFVBZFSN-JQHSSLGASA-N	1	0	290.427	3.162	1	5		CGBFRO
Clc1ccccc1/C=C/CN1CC[N+]2(CCCC2)CC1	ZINC000029324270	717118303	/nfs/dbraw/zinc/11/83/03/717118303.db2.gz	HTEUHZWPQXUCQS-FNORWQNLSA-N	1	0	291.846	3.279	1	5		CGBFRO
CC(C)Cc1ccc([C@@H](C)C(=O)OCC[N+](C)(C)C)cc1	ZINC000049784171	717130500	/nfs/dbraw/zinc/13/05/00/717130500.db2.gz	YCSSAISHORSXBR-OAHLLOKOSA-N	1	0	292.443	3.238	1	5		CGBFRO
COc1cccc(C[N+](C)(C)Cc2ccccc2)c1	ZINC000013586887	170566270	/nfs/dbraw/zinc/56/62/70/170566270.db2.gz	WZXIGBHYDVBXDB-UHFFFAOYSA-N	1	0	256.369	3.472	1	5		CGBFRO
CCC[C@H]1c2cc(OC)c(OC)cc2CC[N+]1(C)C	ZINC000040575899	174341255	/nfs/dbraw/zinc/34/12/55/174341255.db2.gz	NOYZRFWDPBUPNM-AWEZNQCLSA-N	1	0	264.389	3.178	1	5		CGBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2	ZINC000253979287	717169490	/nfs/dbraw/zinc/16/94/90/717169490.db2.gz	KVDHVTQKKLVMJD-BTTYYORXSA-O	1	0	299.394	3.095	1	5		CGBFRO
C[N+]1(C)CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13	ZINC000146382732	187912746	/nfs/dbraw/zinc/91/27/46/187912746.db2.gz	YJSZGPNVWVYXJS-CGTJXYLNSA-O	1	0	272.412	3.225	1	5		CGBFRO
Cc1cnc2c(c1)c(C)c(C)c1cc(C)c[n+](C)c12	ZINC000005160224	170072391	/nfs/dbraw/zinc/07/23/91/170072391.db2.gz	FQTUZNACZKILMC-UHFFFAOYSA-N	1	0	251.353	3.446	1	5	in-vivo	CGBFRO
O=[N+]([O-])c1ccc(-c2cncc([C@H]3C[C@H]4CC[C@@H]3[NH2+]4)c2)cc1	ZINC000029123211	171586155	/nfs/dbraw/zinc/58/61/55/171586155.db2.gz	CRROBCHEYASOQD-OIISXLGYSA-N	1	0	295.342	3.265	1	5		CGBFRO
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CC[N+](C)(C)C)O2	ZINC000000006149	717087878	/nfs/dbraw/zinc/08/78/78/717087878.db2.gz	CYFUJFPQQKYUKZ-GOSISDBHSA-O	1	0	292.443	3.497	1	5		CGBFRO
C[C@@H](c1ccccc1)[C@@H]1OC[C@H](C[N+]2(C)CCCCC2)O1	ZINC000004185218	717097879	/nfs/dbraw/zinc/09/78/79/717097879.db2.gz	JGEAUUUFVBZFSN-RYQLBKOJSA-N	1	0	290.427	3.162	1	5		CGBFRO
C[N+](C)(C)C[C@@H]1C[C@H]1COC(=O)Nc1ccc(Cl)cc1	ZINC000169336774	188659279	/nfs/dbraw/zinc/65/92/79/188659279.db2.gz	SWDNIGTZUQHJGU-RYUDHWBXSA-O	1	0	297.806	3.231	1	5		CGBFRO
C[n+]1cc2c3c(ccc2c2ccccc21)OC(C)(C)O3	ZINC000040845597	174419523	/nfs/dbraw/zinc/41/95/23/174419523.db2.gz	JDSWFFLTTABJQU-UHFFFAOYSA-N	1	0	266.320	3.325	1	5		CGBFRO
C[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2	ZINC000013783311	717109186	/nfs/dbraw/zinc/10/91/86/717109186.db2.gz	KVDHVTQKKLVMJD-PBWFPOADSA-O	1	0	299.394	3.095	1	5		CGBFRO
C[N+]1(CCCCCCC(=O)CN=O)CCCCCC1	ZINC000169691943	717156750	/nfs/dbraw/zinc/15/67/50/717156750.db2.gz	DSSCGHOHYHXOTC-UHFFFAOYSA-N	1	0	269.409	3.293	1	5		CGBFRO
COc1ccc2c(c1)CC[N@+]1(C)CCc3ccccc3[C@@H]21	ZINC000253778432	717168281	/nfs/dbraw/zinc/16/82/81/717168281.db2.gz	ICPCBSSZIHJQET-PMACEKPBSA-N	1	0	280.391	3.343	1	5		CGBFRO
C[N+](C)(C)C[C@H]1COC(c2ccccc2)(c2ccccc2)O1	ZINC000013858584	170604719	/nfs/dbraw/zinc/60/47/19/170604719.db2.gz	ICKYAYPRNVIBMO-SFHVURJKSA-N	1	0	298.406	3.009	1	5		CGBFRO
C[NH+](C)CCNc1c2cc(Cl)ccc2sc1[N+](=O)[O-]	ZINC000005957309	170161929	/nfs/dbraw/zinc/16/19/29/170161929.db2.gz	ZSXCIADKDAEEHK-UHFFFAOYSA-N	1	0	299.783	3.436	1	5		CGBFRO
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C1=CC[N@H+](C)CC1	ZINC000045193566	175326823	/nfs/dbraw/zinc/32/68/23/175326823.db2.gz	PEYXKGITJQNPHD-UHFFFAOYSA-N	1	0	271.320	3.103	1	5		CGBFRO
C[N+]1(C)CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13	ZINC000146317240	717152931	/nfs/dbraw/zinc/15/29/31/717152931.db2.gz	YJSZGPNVWVYXJS-NJAFHUGGSA-O	1	0	272.412	3.225	1	5		CGBFRO
COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[N+](C)(C)CC3	ZINC000238731638	717162244	/nfs/dbraw/zinc/16/22/44/717162244.db2.gz	YMYRVJLUILPKQM-OAHLLOKOSA-O	1	0	296.390	3.298	1	5		CGBFRO
CCCC[C@@H]1[C@H](O)CCC[C@]12CCCC[N+]2(C)C	ZINC000027998127	717115293	/nfs/dbraw/zinc/11/52/93/717115293.db2.gz	UUBPJEKTUBNTEF-BZUAXINKSA-N	1	0	254.438	3.337	1	5		CGBFRO
COc1ccc2[nH]c3ccc4cc[n+](C)cc4c3c2c1	ZINC000028761782	171573447	/nfs/dbraw/zinc/57/34/47/171573447.db2.gz	BLRIYBVIRNBDDX-UHFFFAOYSA-O	1	0	263.320	3.307	1	5		CGBFRO
CC[N+]1(CC)CCN(c2ccc(Br)cc2)CC1	ZINC000653787504	717188034	/nfs/dbraw/zinc/18/80/34/717188034.db2.gz	YWEJPPBSFOQMBV-UHFFFAOYSA-N	1	0	298.248	3.126	1	5		CGBFRO
COc1cccc(N2CC[N+]3(CCc4ccccc43)CC2)c1	ZINC000066079394	717132521	/nfs/dbraw/zinc/13/25/21/717132521.db2.gz	LDBSXFLZNWEJCC-UHFFFAOYSA-N	1	0	295.406	3.079	1	5		CGBFRO
COc1ccccc1N1CC[N+]2(CCc3ccccc32)CC1	ZINC000066073923	717132555	/nfs/dbraw/zinc/13/25/55/717132555.db2.gz	VRELKRIEQIVGJY-UHFFFAOYSA-N	1	0	295.406	3.079	1	5		CGBFRO
CCCC[C@@H]1[C@@H](O)CCC[C@]12CCCC[N+]2(C)C	ZINC000028007275	717114938	/nfs/dbraw/zinc/11/49/38/717114938.db2.gz	UUBPJEKTUBNTEF-OWCLPIDISA-N	1	0	254.438	3.337	1	5		CGBFRO
CCCC1=Cc2cc3c(cc2[C@@H]1[N+](C)(C)C)OCO3	ZINC000040496874	174295073	/nfs/dbraw/zinc/29/50/73/174295073.db2.gz	YXRBXFNJPHGRNC-MRXNPFEDSA-N	1	0	260.357	3.360	1	5		CGBFRO
C[C@@H](c1ccccc1)[C@@H]1OC[C@@H](C[N+]2(C)CCCCC2)O1	ZINC000013572473	717108688	/nfs/dbraw/zinc/10/86/88/717108688.db2.gz	JGEAUUUFVBZFSN-CGTJXYLNSA-N	1	0	290.427	3.162	1	5		CGBFRO
C[N+]1([C@@H]2CCCC[C@H]2O)CCC(c2ccccc2)CC1	ZINC000028230269	717115288	/nfs/dbraw/zinc/11/52/88/717115288.db2.gz	WAKPFUAAFAMBSZ-QGLXBCBXSA-N	1	0	274.428	3.314	1	5		CGBFRO
C[N+]1(C)CC=C(COC(=O)Nc2cccc(Cl)c2)CC1	ZINC000028759632	717115595	/nfs/dbraw/zinc/11/55/95/717115595.db2.gz	OGFYUTHIPRVLOL-UHFFFAOYSA-O	1	0	295.790	3.295	1	5		CGBFRO
CC(C)Cc1ccc([C@H](C)C(=O)OCC[N+](C)(C)C)cc1	ZINC000049784172	717130601	/nfs/dbraw/zinc/13/06/01/717130601.db2.gz	YCSSAISHORSXBR-HNNXBMFYSA-N	1	0	292.443	3.238	1	5		CGBFRO
C[N+](C)(C)C/C=C/COC(=O)Nc1cccc(Cl)c1	ZINC000006068066	170173845	/nfs/dbraw/zinc/17/38/45/170173845.db2.gz	LKLLOEPRSXBHEQ-SNAWJCMRSA-O	1	0	283.779	3.151	1	5		CGBFRO
CCCC[C@@H]1[C@H](O)CCC[C@@]12CCCC[N+]2(C)C	ZINC000027998123	171543071	/nfs/dbraw/zinc/54/30/71/171543071.db2.gz	UUBPJEKTUBNTEF-OAGGEKHMSA-N	1	0	254.438	3.337	1	5		CGBFRO
CCC[C@@H]1c2cc(OC)c(OC)cc2CC[N+]1(C)C	ZINC000040575897	174341420	/nfs/dbraw/zinc/34/14/20/174341420.db2.gz	NOYZRFWDPBUPNM-CQSZACIVSA-N	1	0	264.389	3.178	1	5		CGBFRO
CC(=O)Oc1ccccc1[N+](C)(C)Cc1ccccc1	ZINC000013586881	717108718	/nfs/dbraw/zinc/10/87/18/717108718.db2.gz	QYXQSGFFDJQHJM-UHFFFAOYSA-N	1	0	270.352	3.379	1	5		CGBFRO
C[N+]1(C)CC=C(COC(=O)Nc2ccc(Cl)cc2)CC1	ZINC000028758658	717115745	/nfs/dbraw/zinc/11/57/45/717115745.db2.gz	QNDLIWNTOUJFFU-UHFFFAOYSA-O	1	0	295.790	3.295	1	5		CGBFRO
COc1ccc2c(c1)CC[N@@+]1(C)CCc3ccccc3[C@@H]21	ZINC000253778452	717168143	/nfs/dbraw/zinc/16/81/43/717168143.db2.gz	ICPCBSSZIHJQET-VQTJNVASSA-N	1	0	280.391	3.343	1	5		CGBFRO
C[N+]1(C)CCn2c3c(c4cccc(c42)C1)CCCC3	ZINC000039207629	174165584	/nfs/dbraw/zinc/16/55/84/174165584.db2.gz	PDOVXPBQPXOIFG-UHFFFAOYSA-N	1	0	255.385	3.110	1	5		CGBFRO
CC[N+]1(CC)CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000653787442	717188141	/nfs/dbraw/zinc/18/81/41/717188141.db2.gz	OEDZKBDZSIZMTI-UHFFFAOYSA-N	1	0	287.349	3.382	1	5		CGBFRO
C[N+](C)(C)C/C=C/COC(=O)Nc1ccc(Cl)cc1	ZINC000090188508	179929654	/nfs/dbraw/zinc/92/96/54/179929654.db2.gz	GKSNCHMDNGXEJL-SNAWJCMRSA-O	1	0	283.779	3.151	1	5		CGBFRO
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CC[N+](C)(C)C)O2	ZINC000003787372	717097056	/nfs/dbraw/zinc/09/70/56/717097056.db2.gz	CYFUJFPQQKYUKZ-SFHVURJKSA-O	1	0	292.443	3.497	1	5		CGBFRO
C[C@@H]1C[C@H](CC2CCCC[N+]2=O)[C@H]2CCC[N+](C)([O-])[C@@H]2C1	ZINC000238745421	717162209	/nfs/dbraw/zinc/16/22/09/717162209.db2.gz	CJAWLAWAWJGSJC-IEPSNVFLSA-N	1	0	294.439	3.281	1	5		CGBFRO
CC[N+]1(CC)CCN(c2ccc(C(F)(F)F)cc2)CC1	ZINC000653787450	717187970	/nfs/dbraw/zinc/18/79/70/717187970.db2.gz	SIRFNEMUCUNHAA-UHFFFAOYSA-N	1	0	287.349	3.382	1	5		CGBFRO
COc1cc2c(cc1OC)[C@H](CC(C)C)[N+](C)(C)CC2	ZINC000040575994	174341533	/nfs/dbraw/zinc/34/15/33/174341533.db2.gz	NJITUFVIVRZSNR-HNNXBMFYSA-N	1	0	278.416	3.424	1	5		CGBFRO
C[C@@H](COc1ccccc1)[N+]1(Cc2ccccc2)CC1	ZINC000169332739	717155531	/nfs/dbraw/zinc/15/55/31/717155531.db2.gz	YAXHTYSSJPQYRF-INIZCTEOSA-N	1	0	268.380	3.485	1	5		CGBFRO
C[NH+](C)CCn1c2ccccc2c2nc3ccccc3nc21	ZINC000005140465	170070412	/nfs/dbraw/zinc/07/04/12/170070412.db2.gz	ASPCGJCAQYNHEN-UHFFFAOYSA-N	1	0	290.370	3.299	1	5		CGBFRO
C[N+](C)(C)c1cccc(OC(=O)Nc2ccccc2)c1	ZINC000005764684	170138308	/nfs/dbraw/zinc/13/83/08/170138308.db2.gz	NNRIFORGOBQWPJ-UHFFFAOYSA-O	1	0	271.340	3.494	1	5		CGBFRO
C[C@@H]1C[C@H](C[C@@H]2CCCC[NH2+]2)[N+]2([O-])CCCC[C@H]2C1	ZINC000205010590	717159269	/nfs/dbraw/zinc/15/92/69/717159269.db2.gz	IUFKMBVXFBNPQA-RDEFKLACSA-N	1	0	266.429	3.184	1	5		CGBFRO
C[N+](C)(C)C/C=C\COC(=O)Nc1ccc(Cl)cc1	ZINC000090188504	717137846	/nfs/dbraw/zinc/13/78/46/717137846.db2.gz	GKSNCHMDNGXEJL-PLNGDYQASA-O	1	0	283.779	3.151	1	5		CGBFRO