smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCC[n+]1cccc(C#N)c1	ZINC000001723785	520018131	/nfs/dbraw/zinc/01/81/31/520018131.db2.gz	WWUSWNWVVQQOOV-UHFFFAOYSA-N	1	0	259.417	4.377	40	30		CIEBRO
C=C1c2[nH]c3ccccc3c2[C@@H]2[C@@H](CC)[C@H]1CC[N@@H+]2C	ZINC000001699363	566902147	/nfs/dbraw/zinc/90/21/47/566902147.db2.gz	MFFIRXGJJPPAMA-LXIYXOSZSA-N	1	0	266.388	4.214	40	30		CIEBRO
CCCCCCCCCCCC1=[NH+]C(C)(C)CN1CCO	ZINC000001768302	567843538	/nfs/dbraw/zinc/84/35/38/567843538.db2.gz	YOVZSVQYSGKERM-UHFFFAOYSA-N	1	0	296.499	4.392	40	30		CIEBRO
CCCC[C@](C)(C[NH+](C)C)C(=O)/C=C\c1ccccc1	ZINC000017109339	567874791	/nfs/dbraw/zinc/87/47/91/567874791.db2.gz	SZJDJHCRIWFKTF-MENFKHAKSA-N	1	0	273.420	4.027	40	30		CIEBRO
Cc1ccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)cc1	ZINC000018011013	567875867	/nfs/dbraw/zinc/87/58/67/567875867.db2.gz	ZIXNNHAEEXZXRN-XDHOZWIPSA-N	1	0	253.389	4.383	40	30		CIEBRO
Fc1ccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)cc1	ZINC000018087359	567876458	/nfs/dbraw/zinc/87/64/58/567876458.db2.gz	VRSTXEAKHMWZHJ-YBFXNURJSA-N	1	0	257.352	4.213	40	30		CIEBRO
N#C[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1	ZINC000026895110	567883095	/nfs/dbraw/zinc/88/30/95/567883095.db2.gz	ZKQZXOHHGSSQLN-WMZOPIPTSA-N	1	0	296.801	4.079	40	30		CIEBRO
CCCCCCCCCCOCC[NH+]1CCCC1	ZINC000100923487	567914108	/nfs/dbraw/zinc/91/41/08/567914108.db2.gz	IBAWURFLZVYYAO-UHFFFAOYSA-N	1	0	255.446	4.240	40	30		CIEBRO
O/N=C1/CCC=CCC[C@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000100964716	567914346	/nfs/dbraw/zinc/91/43/46/567914346.db2.gz	PYMZQDBDMGWPTK-AWMOQWESSA-N	1	0	298.430	4.195	40	30		CIEBRO
Cc1cc(/C=[NH+]/C2CCCCC2)ccc1N1CCCC1	ZINC000408854317	567933515	/nfs/dbraw/zinc/93/35/15/567933515.db2.gz	CJMNEDWMEDUBIH-XMHGGMMESA-N	1	0	270.420	4.347	40	30		CIEBRO
C=CCOc1c(CCC)cc(C[NH+](C)C)cc1CCC	ZINC000001670322	570383759	/nfs/dbraw/zinc/38/37/59/570383759.db2.gz	ZHKFWQHPXQDYHB-UHFFFAOYSA-N	1	0	275.436	4.218	40	30		CIEBRO
C/[S+]=c1/cc(-c2ccc(Cl)cc2)ss1	ZINC000005327799	170085758	/nfs/dbraw/zinc/08/57/58/170085758.db2.gz	DGYVRGHHMNGXKB-UHFFFAOYSA-N	1	0	259.828	4.374	40	30		CIEBRO
C=CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2C)o1	ZINC000020158634	171039927	/nfs/dbraw/zinc/03/99/27/171039927.db2.gz	DCKZLMFUOYRPJT-UHFFFAOYSA-N	1	0	261.752	4.184	40	30		CIEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C\c1ccc(C)cc1	ZINC000017127553	520292178	/nfs/dbraw/zinc/29/21/78/520292178.db2.gz	LITJQCLCLXFLBN-HWOXTHGCSA-N	1	0	287.447	4.335	40	30		CIEBRO
C[NH+](C)CCC(=CCc1ccccc1)N=Nc1ccccc1	ZINC000005888786	524050534	/nfs/dbraw/zinc/05/05/34/524050534.db2.gz	DLRHMSSHHRHVEG-JESFMSRLSA-N	1	0	293.414	4.120	40	30		CIEBRO
CC(=N\N(C)c1ccccc1)/C(C)=[NH+]/N(C)c1ccccc1	ZINC000017021292	526386979	/nfs/dbraw/zinc/38/69/79/526386979.db2.gz	GAZUJKJJBRIPLV-MXWIWYRXSA-N	1	0	294.402	4.011	40	30		CIEBRO
CCCCCCCC[NH2+][C@@H]1CCCCCC/C1=N\O	ZINC000100927957	567913984	/nfs/dbraw/zinc/91/39/84/567913984.db2.gz	AYSITRWIRNLLGZ-FWWJWKNHSA-N	1	0	268.445	4.490	40	30		CIEBRO
C=C(C)/C(NC(C)(C)C)=[NH+]/c1cccc(Cl)c1	ZINC000001572240	567838428	/nfs/dbraw/zinc/83/84/28/567838428.db2.gz	RVXWRMNDUZCDPB-UHFFFAOYSA-N	1	0	250.773	4.334	40	30		CIEBRO
Cc1ccc(/C=C/C(=O)C(C)(C)C[NH+]2CCCCC2)cc1	ZINC000001629026	567839785	/nfs/dbraw/zinc/83/97/85/567839785.db2.gz	DMJPCCYONRHOHM-VAWYXSNFSA-N	1	0	285.431	4.089	40	30		CIEBRO
CC[C@H](C)C(Nc1ccc(Cl)c(Cl)c1)=[NH+]C	ZINC000001676649	567841105	/nfs/dbraw/zinc/84/11/05/567841105.db2.gz	LCUDVUMGFYXOTA-QMMMGPOBSA-N	1	0	259.180	4.480	40	30		CIEBRO
Cc1ccc(CSC(=[NH2+])Nc2ccccc2)cc1C	ZINC000013099142	567864624	/nfs/dbraw/zinc/86/46/24/567864624.db2.gz	QXFDYFDVDSKUHD-UHFFFAOYSA-N	1	0	270.401	4.183	40	30	in-vitro	CIEBRO
CCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO	ZINC000056870932	567894577	/nfs/dbraw/zinc/89/45/77/567894577.db2.gz	KBUNOSOGGAARKZ-KRWDZBQOSA-N	1	0	299.499	4.356	40	30	endogenous,in-man	CIEBRO
CCCCCCCCCC(=NNC(N)=[NH2+])c1ccccc1	ZINC000104393654	567916685	/nfs/dbraw/zinc/91/66/85/567916685.db2.gz	OUNFZJGOXXVYIM-CAPFRKAQSA-N	1	0	288.439	4.014	40	30		CIEBRO
C(=[NH+]/C1CCCCC1)\c1ccc(N2CCCC2)cc1	ZINC000059104625	567956125	/nfs/dbraw/zinc/95/61/25/567956125.db2.gz	XMYXPQPNDMAGOP-NBVRZTHBSA-N	1	0	256.393	4.038	40	30		CIEBRO
CC[S+](CC)CC(=O)c1ccc(-c2ccccc2)cc1	ZINC000004777891	170015888	/nfs/dbraw/zinc/01/58/88/170015888.db2.gz	NEOUJMLMNUGUIS-UHFFFAOYSA-N	1	0	285.432	4.194	40	30		CIEBRO
CCCCCCCCCCCCCC[C@H]([NH3+])CN	ZINC000043938953	175126181	/nfs/dbraw/zinc/12/61/81/175126181.db2.gz	PWJWNZBLKWYLPP-INIZCTEOSA-N	1	0	256.478	4.364	40	30		CIEBRO
CCCCCCC(=O)/C=C/c1ccc([N+](C)(C)C)cc1	ZINC000016954845	528114220	/nfs/dbraw/zinc/11/42/20/528114220.db2.gz	NEWYDYDUNYVRGS-NTCAYCPXSA-N	1	0	274.428	4.436	40	30		CIEBRO
CCCCCCCCCCCCCC1=[NH+]CCN1CCO	ZINC000100695156	528123300	/nfs/dbraw/zinc/12/33/00/528123300.db2.gz	KUHILYGRHCIQJN-UHFFFAOYSA-N	1	0	296.499	4.394	40	30		CIEBRO
CCCCCCC[NH2+]Cc1cn(C2CCCC2)nc1C	ZINC000256050919	570351750	/nfs/dbraw/zinc/35/17/50/570351750.db2.gz	GZVZHMXLWPRFPD-UHFFFAOYSA-N	1	0	277.456	4.367	40	30		CIEBRO
CCC[C@@H](C)C(=[NH2+])Nc1ccc(Cl)c(Cl)c1	ZINC000001670546	567840799	/nfs/dbraw/zinc/84/07/99/567840799.db2.gz	HECKUDRRSNVBMM-MRVPVSSYSA-N	1	0	259.180	4.418	40	30		CIEBRO
C[NH+](C)CCCCC(C#N)(c1ccccc1)c1ccccc1	ZINC000001717942	567842463	/nfs/dbraw/zinc/84/24/63/567842463.db2.gz	SMXZKFBFEUEMST-UHFFFAOYSA-N	1	0	292.426	4.228	40	30		CIEBRO
CCCCCCCCCC(=NNC(N)=[NH2+])c1ccccc1	ZINC000104393659	567916793	/nfs/dbraw/zinc/91/67/93/567916793.db2.gz	OUNFZJGOXXVYIM-SILNSSARSA-N	1	0	288.439	4.014	40	30		CIEBRO
CC(=NNc1ccnc2cc(Cl)ccc21)c1ccc[nH]1	ZINC000057410439	570388737	/nfs/dbraw/zinc/38/87/37/570388737.db2.gz	PTUVFCAWOKUPSY-VXLYETTFSA-N	1	0	284.750	4.052	40	30		CIEBRO
C=C1c2[nH]c3ccccc3c2[C@@H]2[C@H](CC)[C@H]1CC[N@@H+]2C	ZINC000004808220	170020425	/nfs/dbraw/zinc/02/04/25/170020425.db2.gz	MFFIRXGJJPPAMA-VBHSOAQHSA-N	1	0	266.388	4.214	40	30		CIEBRO
C[N@H+]1CC=C(/C=C/c2ccc(C#Cc3ccccc3)cc2)CC1	ZINC000005002427	170053259	/nfs/dbraw/zinc/05/32/59/170053259.db2.gz	XFIOYZQCXIHFFE-BUHFOSPRSA-N	1	0	299.417	4.362	40	30		CIEBRO
CCCCCCCCCCCC(=O)OCC[NH+](C)C	ZINC000072399750	327110295	/nfs/dbraw/zinc/11/02/95/327110295.db2.gz	JMLUDYXDXUBOTH-UHFFFAOYSA-N	1	0	271.445	4.012	40	30		CIEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1	ZINC000001574754	520291162	/nfs/dbraw/zinc/29/11/62/520291162.db2.gz	ASGQVNSGBFJSMI-ISBHARSQSA-N	1	0	291.410	4.166	40	30		CIEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccc(C)cc1	ZINC000001575873	520292696	/nfs/dbraw/zinc/29/26/96/520292696.db2.gz	LITJQCLCLXFLBN-JKGDOXCYSA-N	1	0	287.447	4.335	40	30		CIEBRO
C[C@@H]1C(=NO)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000055433404	526195334	/nfs/dbraw/zinc/19/53/34/526195334.db2.gz	XIRQHDWKOLWYKM-QZCPTFHJSA-N	1	0	294.398	4.175	40	30		CIEBRO
Cc1ccc(/C=C2\CCC[C@H](C[NH+]3CCCCC3)C2=O)cc1	ZINC000001643499	567840173	/nfs/dbraw/zinc/84/01/73/567840173.db2.gz	NLQRFVDNRTUTBS-YWXUCKCNSA-N	1	0	297.442	4.234	40	30		CIEBRO
O=C(C[n+]1ccccc1)c1ccc2ccc3ccccc3c2c1	ZINC000001668063	567840627	/nfs/dbraw/zinc/84/06/27/567840627.db2.gz	BGNRARDRZLDUJG-UHFFFAOYSA-N	1	0	298.365	4.163	40	30		CIEBRO
C(=[NH+]/C1CCCCC1)\c1ccc(N2CCCCC2)cc1	ZINC000408846208	567933127	/nfs/dbraw/zinc/93/31/27/567933127.db2.gz	IULNSYSAAXNLEH-XDJHFCHBSA-N	1	0	270.420	4.429	40	30		CIEBRO
CC(C)(C)[NH2+]C/C(=C/c1ccccc1)C(=O)c1ccccc1	ZINC000004991039	170050598	/nfs/dbraw/zinc/05/05/98/170050598.db2.gz	PYGLETLOMHWMRC-JXAWBTAJSA-N	1	0	293.410	4.341	40	30		CIEBRO
Cc1ccc2[nH+]c(C)cc(NN=Cc3cccc(O)c3)c2c1	ZINC000005006948	170054067	/nfs/dbraw/zinc/05/40/67/170054067.db2.gz	BIPVCIZZBLJXCY-YBFXNURJSA-N	1	0	291.354	4.003	40	30		CIEBRO
C=C(C)[C@@H]1CC=C(/C=C/c2cc[n+](C)cc2C)CC1	ZINC000005019029	170056680	/nfs/dbraw/zinc/05/66/80/170056680.db2.gz	RYBCUIJZZZGKHO-PYUISTEWSA-N	1	0	254.397	4.135	40	30		CIEBRO
CN(C)C1=C/C(=[NH+]/c2ccccc2)SC(C)(C)C1	ZINC000005663865	170125490	/nfs/dbraw/zinc/12/54/90/170125490.db2.gz	WFGYODUSKPXWNM-PEZBUJJGSA-N	1	0	260.406	4.078	40	30		CIEBRO
N#C[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1	ZINC000002547084	260009539	/nfs/dbraw/zinc/00/95/39/260009539.db2.gz	ZKQZXOHHGSSQLN-SJLPKXTDSA-N	1	0	296.801	4.079	40	30		CIEBRO
CCCOc1ccc(C[N+](=O)c2ccc(C)cc2)cc1	ZINC000043726388	260189589	/nfs/dbraw/zinc/18/95/89/260189589.db2.gz	BDTOSCZVXKKLLV-QGOAFFKASA-N	1	0	269.344	4.045	40	30		CIEBRO
CCCCCCCCCCCC[N+]1(C)CCOCC1	ZINC000103005858	520015010	/nfs/dbraw/zinc/01/50/10/520015010.db2.gz	VXYGFTZDXZHPHP-UHFFFAOYSA-N	1	0	270.481	4.384	40	30		CIEBRO
CCCCCCCCCOc1ccc(C(N)=[NH2+])cc1	ZINC000002573000	520030313	/nfs/dbraw/zinc/03/03/13/520030313.db2.gz	HJPOQKIVHJQKOD-UHFFFAOYSA-N	1	0	262.397	4.100	40	30		CIEBRO
CC[NH+](CC)CC(C)(C)C(=O)/C=C/c1ccc(Cl)cc1	ZINC000001591433	567839054	/nfs/dbraw/zinc/83/90/54/567839054.db2.gz	DZSMSQZYFGGZDN-FMIVXFBMSA-N	1	0	293.838	4.290	40	30		CIEBRO
N#[N+]N=c1c2cccc3cccc(c32)c(=O)c1=NN=N	ZINC000073280895	567902948	/nfs/dbraw/zinc/90/29/48/567902948.db2.gz	KEDLJWKZWTZCBJ-UHFFFAOYSA-N	1	0	262.232	4.325	40	30		CIEBRO
O/N=C1/CCC[C@H]1[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000100977222	567914334	/nfs/dbraw/zinc/91/43/34/567914334.db2.gz	FDWMFULSPMATME-LAFOYAEKSA-N	1	0	294.398	4.072	40	30		CIEBRO
O/N=C1/CCC[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000100977224	567914377	/nfs/dbraw/zinc/91/43/77/567914377.db2.gz	FDWMFULSPMATME-HQMFNGAOSA-N	1	0	294.398	4.072	40	30		CIEBRO
CC1=CC[P@@+](Cc2ccccc2)(c2ccccc2)C1	ZINC000104272527	567916584	/nfs/dbraw/zinc/91/65/84/567916584.db2.gz	FWSYNZCLPLHGMZ-LJQANCHMSA-N	1	0	267.332	4.490	40	30		CIEBRO
CCCCCCCCCCCCCCN=NC(N)=[NH2+]	ZINC000104391345	567916829	/nfs/dbraw/zinc/91/68/29/567916829.db2.gz	CNZZIJXHORRWPY-NBVRZTHBSA-N	1	0	268.449	4.156	40	30		CIEBRO
O=[P+](OCc1ccccc1)OCc1ccccc1	ZINC000098044842	230391454	/nfs/dbraw/zinc/39/14/54/230391454.db2.gz	RQKYHDHLEMEVDR-UHFFFAOYSA-N	1	0	261.237	4.077	40	30		CIEBRO
C/C(C[C@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1)=N/O	ZINC000095567696	185010224	/nfs/dbraw/zinc/01/02/24/185010224.db2.gz	YASSBQUIPOISHI-GCFJHJGGSA-N	1	0	294.398	4.026	40	30		CIEBRO
CC(C)(C)[NH2+]C/C(=C\c1ccccc1)C(=O)c1ccccc1	ZINC000005045960	170060222	/nfs/dbraw/zinc/06/02/22/170060222.db2.gz	PYGLETLOMHWMRC-NBVRZTHBSA-N	1	0	293.410	4.341	40	30		CIEBRO
CC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000005247748	170078932	/nfs/dbraw/zinc/07/89/32/170078932.db2.gz	KELKCHCDSYUMCO-BVEHLZJYSA-N	1	0	294.398	4.319	40	30		CIEBRO
C#CC(C)(C)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000005713289	170132089	/nfs/dbraw/zinc/13/20/89/170132089.db2.gz	KNWNOEKYUXDHNO-UHFFFAOYSA-N	1	0	260.340	4.212	40	30		CIEBRO
C[NH+](C)CC[C@@](C#N)(c1cccs1)C1CCCCC1	ZINC000006437071	170201348	/nfs/dbraw/zinc/20/13/48/170201348.db2.gz	NAMLLARPYQPEOG-INIZCTEOSA-N	1	0	276.449	4.041	40	30		CIEBRO
C[C@H]([NH2+]CC#Cc1ccccc1)C12CC3CC(CC(C3)C1)C2	ZINC000008497283	170338087	/nfs/dbraw/zinc/33/80/87/170338087.db2.gz	SYVOPOSGGMKXOT-DPYIETLKSA-N	1	0	293.454	4.233	40	30		CIEBRO
C[NH+](C)CCC(=CCc1ccccc1)N=Nc1ccccc1	ZINC000017194729	524050153	/nfs/dbraw/zinc/05/01/53/524050153.db2.gz	DLRHMSSHHRHVEG-LFJSLNKLSA-N	1	0	293.414	4.120	40	30		CIEBRO
CCCCCCC[NH2+]Cc1cnn(C2CCCC2)c1	ZINC000256053416	570351782	/nfs/dbraw/zinc/35/17/82/570351782.db2.gz	RJWBALDAIWSNGE-UHFFFAOYSA-N	1	0	263.429	4.058	40	30		CIEBRO
CCCCCC[C@](C#N)(CC[NH+](C)C)c1ccccc1	ZINC000001593243	567839165	/nfs/dbraw/zinc/83/91/65/567839165.db2.gz	RKDJJLXPCHGPJI-GOSISDBHSA-N	1	0	272.436	4.370	40	30		CIEBRO
CCCCCCCCCC1=[NH+]C(C)(C)CN1C[C@H](C)O	ZINC000001768305	567843604	/nfs/dbraw/zinc/84/36/04/567843604.db2.gz	IGJHPQLFRMJXQK-HNNXBMFYSA-N	1	0	282.472	4.001	40	30		CIEBRO
CC[NH+](CC)CC(C)(C)C(=O)/C=C\c1ccc(Cl)cc1	ZINC000017142909	567875044	/nfs/dbraw/zinc/87/50/44/567875044.db2.gz	DZSMSQZYFGGZDN-XFXZXTDPSA-N	1	0	293.838	4.290	40	30		CIEBRO
Cc1ccccc1/C=[NH+]/C12CC3CC(CC(C3)C1)C2	ZINC000018088297	567876368	/nfs/dbraw/zinc/87/63/68/567876368.db2.gz	VDECDUYLXXIOJJ-XDHOZWIPSA-N	1	0	253.389	4.383	40	30		CIEBRO
Cc1cccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)c1	ZINC000018154967	567876533	/nfs/dbraw/zinc/87/65/33/567876533.db2.gz	HLGVZVNEMYYNSJ-XDHOZWIPSA-N	1	0	253.389	4.383	40	30		CIEBRO
CCCCCCCCCCCCCCN=NC(N)=[NH2+]	ZINC000104391341	567916721	/nfs/dbraw/zinc/91/67/21/567916721.db2.gz	CNZZIJXHORRWPY-JXAWBTAJSA-N	1	0	268.449	4.156	40	30		CIEBRO
Cc1cc(N2CCCC2)ccc1/C=[NH+]/Cc1ccccc1	ZINC000408961709	567933507	/nfs/dbraw/zinc/93/35/07/567933507.db2.gz	UVCFDXATKLWCBT-HMMYKYKNSA-N	1	0	278.399	4.214	40	30		CIEBRO
CC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000103557636	570279356	/nfs/dbraw/zinc/27/93/56/570279356.db2.gz	KELKCHCDSYUMCO-TUSZLCGBSA-N	1	0	294.398	4.319	40	30		CIEBRO
CCCCCCCCO[C@@H](C[NH3+])C(Cl)(Cl)Cl	ZINC000104132305	185902453	/nfs/dbraw/zinc/90/24/53/185902453.db2.gz	WSHHKWFALBAFRQ-JTQLQIEISA-N	1	0	290.662	4.061	40	30		CIEBRO
CC1=CC[P@+](Cc2ccccc2)(c2ccccc2)C1	ZINC000104272530	185950434	/nfs/dbraw/zinc/95/04/34/185950434.db2.gz	FWSYNZCLPLHGMZ-IBGZPJMESA-N	1	0	267.332	4.490	40	30		CIEBRO
CCCN(/C=[NH+]/c1sc2c(c1C#N)CCCC2)CCC	ZINC000005671724	170126410	/nfs/dbraw/zinc/12/64/10/170126410.db2.gz	NREOQHSRAGWGKM-LDADJPATSA-N	1	0	289.448	4.280	40	30		CIEBRO
CCCOc1ccc(C[N+](=O)c2ccc(C)cc2)cc1	ZINC000013407894	260070886	/nfs/dbraw/zinc/07/08/86/260070886.db2.gz	BDTOSCZVXKKLLV-AQTBWJFISA-N	1	0	269.344	4.045	40	30		CIEBRO
CC(/C=[NH+]/c1ccc(Cl)cc1Cl)=C\N(C)C	ZINC000255188630	261353205	/nfs/dbraw/zinc/35/32/05/261353205.db2.gz	KOJHEKYAJVCIBA-ZGKCIRJHSA-N	1	0	257.164	4.161	40	30		CIEBRO
C[NH+](C)CC(C)(C)C(=NNc1ccccc1)c1ccccc1	ZINC000005714957	326816712	/nfs/dbraw/zinc/81/67/12/326816712.db2.gz	DLVQQNUTGGBJAM-DYTRJAOYSA-N	1	0	295.430	4.091	40	30		CIEBRO
C=C(C)/C(=[NH+]/c1ccc(Cl)c(Cl)c1)N(C)C	ZINC000104364759	567916678	/nfs/dbraw/zinc/91/66/78/567916678.db2.gz	DZCJHXLWOJDFAK-QINSGFPZSA-N	1	0	257.164	4.161	40	30		CIEBRO
C=CC[n+]1cc2c3ccccc3c(N)cc2c2ccccc21	ZINC000001558621	566900518	/nfs/dbraw/zinc/90/05/18/566900518.db2.gz	XJFCLGRJXKVIRR-UHFFFAOYSA-O	1	0	285.370	4.202	40	30		CIEBRO
COc1ccc(NC(Cc2ccccc2)=[NH+]C(C)(C)C)cc1	ZINC000001572360	567838222	/nfs/dbraw/zinc/83/82/22/567838222.db2.gz	JLERDEWOFPBVEO-UHFFFAOYSA-N	1	0	296.414	4.356	40	30		CIEBRO
CCCCCCCCCCCCCC[C@H](O)C[NH3+]	ZINC000043285050	567881167	/nfs/dbraw/zinc/88/11/67/567881167.db2.gz	QJARJRBYFJRFGX-INIZCTEOSA-N	1	0	257.462	4.397	40	30		CIEBRO
CC(=N\N(C)c1ccccc1)/C(C)=[NH+]\N(C)c1ccccc1	ZINC000017427514	567875681	/nfs/dbraw/zinc/87/56/81/567875681.db2.gz	GAZUJKJJBRIPLV-VBGLAJCLSA-N	1	0	294.402	4.011	40	30		CIEBRO
C=CCn1c(C)c(/C=C/c2cccc[n+]2C)c2ccccc21	ZINC000004932983	567932645	/nfs/dbraw/zinc/93/26/45/567932645.db2.gz	QDZQRHFXERDOPB-UHFFFAOYSA-N	1	0	289.402	4.131	40	30		CIEBRO
CCCCCCCCCC[N+]1(C)[C@@H]2CC[C@H]1CC(O)C2	ZINC000100301030	567935910	/nfs/dbraw/zinc/93/59/10/567935910.db2.gz	VYCXSKHVAUYCSH-LPOKXYRGSA-N	1	0	282.492	4.259	40	30		CIEBRO
CC1=COC=C(/C=[NH+]/Cc2ccccc2)N1c1ccccc1	ZINC000100146978	570341989	/nfs/dbraw/zinc/34/19/89/570341989.db2.gz	XEPXTAVYNUKLLG-DEDYPNTBSA-N	1	0	290.366	4.497	40	30		CIEBRO
COc1ccc2[nH+]c(C)cc(NN=Cc3cccs3)c2c1	ZINC000005007004	170054249	/nfs/dbraw/zinc/05/42/49/170054249.db2.gz	DQGUJKABKHECNV-LICLKQGHSA-N	1	0	297.383	4.059	40	30		CIEBRO
Cc1ccc2[nH+]c(C)cc(NN=Cc3ccc(F)cc3)c2c1	ZINC000005006949	170054356	/nfs/dbraw/zinc/05/43/56/170054356.db2.gz	IYNVAAFEWIWHER-RGVLZGJSSA-N	1	0	293.345	4.437	40	30		CIEBRO
CC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000005247747	170078880	/nfs/dbraw/zinc/07/88/80/170078880.db2.gz	KELKCHCDSYUMCO-FZGJKKLJSA-N	1	0	294.398	4.319	40	30		CIEBRO
CCCCCCC(=O)/C=C\c1ccc([N+](C)(C)C)cc1	ZINC000005052726	519949271	/nfs/dbraw/zinc/94/92/71/519949271.db2.gz	NEWYDYDUNYVRGS-QINSGFPZSA-N	1	0	274.428	4.436	40	30		CIEBRO
CCCC[C@@](C)(C[NH+](C)C)C(=O)/C=C/c1ccccc1	ZINC000001567495	567838056	/nfs/dbraw/zinc/83/80/56/567838056.db2.gz	SZJDJHCRIWFKTF-HHNLSAEISA-N	1	0	273.420	4.027	40	30		CIEBRO
O=C(C[n+]1ccccc1)c1ccc2c(ccc3ccccc32)c1	ZINC000001668062	567840641	/nfs/dbraw/zinc/84/06/41/567840641.db2.gz	JWDFLGNUGJQAKG-UHFFFAOYSA-N	1	0	298.365	4.163	40	30		CIEBRO
CCCCCCCC[NH2+][C@H]1CCCCCC/C1=N\O	ZINC000100927958	567914032	/nfs/dbraw/zinc/91/40/32/567914032.db2.gz	AYSITRWIRNLLGZ-DUPDJQDOSA-N	1	0	268.445	4.490	40	30		CIEBRO
C=CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21	ZINC000004932886	567932812	/nfs/dbraw/zinc/93/28/12/567932812.db2.gz	WEKCHQWIHXMXIP-UHFFFAOYSA-N	1	0	289.402	4.131	40	30		CIEBRO
C/C(C[C@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1)=N\O	ZINC000016973069	570225431	/nfs/dbraw/zinc/22/54/31/570225431.db2.gz	YASSBQUIPOISHI-NGYXKBBWSA-N	1	0	294.398	4.026	40	30		CIEBRO
C=C(C)C[N+](C)(C)Cc1c(C)ccc2ccccc21	ZINC000003155255	717095514	/nfs/dbraw/zinc/09/55/14/717095514.db2.gz	VBSPHGUHOKSVAQ-UHFFFAOYSA-N	1	0	254.397	4.301	40	30		CIEBRO
C/C(C[C@@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1)=N/O	ZINC000095567695	185010249	/nfs/dbraw/zinc/01/02/49/185010249.db2.gz	YASSBQUIPOISHI-RVPSJEOCSA-N	1	0	294.398	4.026	40	30		CIEBRO
C[n+]1ccccc1/C=C/c1cccc(C#Cc2ccccc2)c1	ZINC000005002319	170053285	/nfs/dbraw/zinc/05/32/85/170053285.db2.gz	RZDVFPNSZDQNMO-FOCLMDBBSA-N	1	0	296.393	4.081	40	30		CIEBRO
C[NH+](C)CC[C@](C#N)(c1cccs1)C1CCCCC1	ZINC000001593232	567839141	/nfs/dbraw/zinc/83/91/41/567839141.db2.gz	NAMLLARPYQPEOG-MRXNPFEDSA-N	1	0	276.449	4.041	40	30		CIEBRO
CCC[C@H](C)C(=[NH2+])Nc1ccc(Cl)c(Cl)c1	ZINC000002043304	567844496	/nfs/dbraw/zinc/84/44/96/567844496.db2.gz	HECKUDRRSNVBMM-QMMMGPOBSA-N	1	0	259.180	4.418	40	30		CIEBRO
CCC[N+](/C=C/C(=O)c1ccccc1)(CCC)CCC	ZINC000002385030	567846027	/nfs/dbraw/zinc/84/60/27/567846027.db2.gz	PYVKMWRKMNKWDY-FOWTUZBSSA-N	1	0	274.428	4.430	40	30		CIEBRO
CCCCCCCCCCCC[N@@H+]1CCC[C@@H](O)C1	ZINC000036351365	567861029	/nfs/dbraw/zinc/86/10/29/567861029.db2.gz	QXVKGKUPQPASMQ-QGZVFWFLSA-N	1	0	269.473	4.364	40	30		CIEBRO
CCCCCCCCCCCCCCCC(=O)[C@H]([NH3+])CO	ZINC000032786897	567886242	/nfs/dbraw/zinc/88/62/42/567886242.db2.gz	KBUNOSOGGAARKZ-QGZVFWFLSA-N	1	0	299.499	4.356	40	30	in-vitro	CIEBRO
CCCCCCCCCCCC(=O)CC[NH+](C)C	ZINC000100932684	567914078	/nfs/dbraw/zinc/91/40/78/567914078.db2.gz	JXSDMFVJNNFUEX-UHFFFAOYSA-N	1	0	255.446	4.428	40	30		CIEBRO
CCCCCCCCCCCCOC(=[NH2+])N(C)C	ZINC000104355306	185981957	/nfs/dbraw/zinc/98/19/57/185981957.db2.gz	DZQWBNAECKUDGV-UHFFFAOYSA-N	1	0	256.434	4.420	40	30		CIEBRO
C[n+]1ccc(/C=C/c2ccc(C#Cc3ccccc3)cc2)cc1	ZINC000005002281	170052916	/nfs/dbraw/zinc/05/29/16/170052916.db2.gz	YUDYACKILKOZKU-BUHFOSPRSA-N	1	0	296.393	4.081	40	30		CIEBRO
CCN(CC)C(=[NH2+])Nc1cc2ccccc2c2ccccc12	ZINC000006381714	170196864	/nfs/dbraw/zinc/19/68/64/170196864.db2.gz	FVQASWJBFZIPSF-UHFFFAOYSA-N	1	0	291.398	4.281	40	30		CIEBRO
C(=[NH+]Cc1ccccc1)C1=CSC=CN1c1ccccc1	ZINC000055180534	518376421	/nfs/dbraw/zinc/37/64/21/518376421.db2.gz	WGYQEQIUNBJYFF-XMHGGMMESA-N	1	0	292.407	4.422	40	30		CIEBRO
C[NH+](C)CCC(=CCc1ccccc1)N=Nc1ccccc1	ZINC000017194727	524050453	/nfs/dbraw/zinc/05/04/53/524050453.db2.gz	DLRHMSSHHRHVEG-PAIRNYBASA-N	1	0	293.414	4.120	40	30		CIEBRO
CC(C)/C(=[NH+]\c1ccc(Cl)c(Cl)c1)N(C)C	ZINC000016989779	527383838	/nfs/dbraw/zinc/38/38/38/527383838.db2.gz	MKSBAFUUOBPPCX-NTCAYCPXSA-N	1	0	259.180	4.241	40	30		CIEBRO
CCCC[C@@](C)(C[NH+](C)C)C(=O)/C=C\c1ccccc1	ZINC000017109337	567874903	/nfs/dbraw/zinc/87/49/03/567874903.db2.gz	SZJDJHCRIWFKTF-SQVRQVGWSA-N	1	0	273.420	4.027	40	30		CIEBRO
C=C(C)COc1cc(/C=[NH+]/CCCC)c(C)cc1C	ZINC000017887228	567876077	/nfs/dbraw/zinc/87/60/77/567876077.db2.gz	ZQWHQUOCEFYHMF-WOJGMQOQSA-N	1	0	259.393	4.477	40	30		CIEBRO
CCCCCCCCCCCCCC[C@@H](O)C[NH3+]	ZINC000043285051	567881208	/nfs/dbraw/zinc/88/12/08/567881208.db2.gz	QJARJRBYFJRFGX-MRXNPFEDSA-N	1	0	257.462	4.397	40	30		CIEBRO
CC(C)/C(=[NH+]/c1ccc(Cl)c(Cl)c1)N(C)C	ZINC000104364746	567916856	/nfs/dbraw/zinc/91/68/56/567916856.db2.gz	MKSBAFUUOBPPCX-QINSGFPZSA-N	1	0	259.180	4.241	40	30		CIEBRO
CC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000101280993	567937218	/nfs/dbraw/zinc/93/72/18/567937218.db2.gz	KELKCHCDSYUMCO-XMSRZWOKSA-N	1	0	294.398	4.319	40	30		CIEBRO
C[NH+](C)CCC(=CCc1ccccc1)N=Nc1ccccc1	ZINC000017194731	524050359	/nfs/dbraw/zinc/05/03/59/524050359.db2.gz	DLRHMSSHHRHVEG-SWHSDNCOSA-N	1	0	293.414	4.120	40	30		CIEBRO
CC[C@@H](C)C(Nc1ccc(Cl)c(Cl)c1)=[NH+]C	ZINC000002045464	567844292	/nfs/dbraw/zinc/84/42/92/567844292.db2.gz	LCUDVUMGFYXOTA-MRVPVSSYSA-N	1	0	259.180	4.480	40	30		CIEBRO
Cc1ccc(/C=C\C(=O)C(C)(C)C[NH+]2CCCCC2)cc1	ZINC000017212635	567875162	/nfs/dbraw/zinc/87/51/62/567875162.db2.gz	DMJPCCYONRHOHM-QXMHVHEDSA-N	1	0	285.431	4.089	40	30		CIEBRO
CN(C)c1ccc([N+](=O)Cc2cccc3ccccc32)cc1	ZINC000104256046	567916589	/nfs/dbraw/zinc/91/65/89/567916589.db2.gz	BRUVCPRJDSCMDC-UHFFFAOYSA-N	1	0	290.366	4.167	40	30		CIEBRO
C=C(C)/C(=[NH+]\c1ccc(Cl)c(Cl)c1)N(C)C	ZINC000016989783	570225995	/nfs/dbraw/zinc/22/59/95/570225995.db2.gz	DZCJHXLWOJDFAK-NTCAYCPXSA-N	1	0	257.164	4.161	40	30		CIEBRO
CC[C@H](CC(C#N)(c1ccccc1)c1ccccc1)[NH+](C)C	ZINC000001593583	169720822	/nfs/dbraw/zinc/72/08/22/169720822.db2.gz	HDWSNDWMFQNWKU-LJQANCHMSA-N	1	0	292.426	4.227	40	30		CIEBRO
CC[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)[NH+](C)C	ZINC000006001863	170167353	/nfs/dbraw/zinc/16/73/53/170167353.db2.gz	HDWSNDWMFQNWKU-IBGZPJMESA-N	1	0	292.426	4.227	40	30		CIEBRO
C[C@@H]([NH2+]CC#Cc1ccccc1)C12CC3CC(CC(C3)C1)C2	ZINC000008534845	170339064	/nfs/dbraw/zinc/33/90/64/170339064.db2.gz	SYVOPOSGGMKXOT-WXYKMOQMSA-N	1	0	293.454	4.233	40	30		CIEBRO
[NH3+]C/C(=N\c1ccc(Cl)cc1)Nc1ccc(Cl)cc1	ZINC000255189154	567110867	/nfs/dbraw/zinc/11/08/67/567110867.db2.gz	OBAUJBRUTLHIBN-UHFFFAOYSA-N	1	0	294.185	4.094	40	30		CIEBRO
CCCCCCCCCC1=[NH+]C(C)(C)CN1C(C)(C)CO	ZINC000001768311	567843632	/nfs/dbraw/zinc/84/36/32/567843632.db2.gz	MZURFONFBGGQPQ-UHFFFAOYSA-N	1	0	296.499	4.391	40	30		CIEBRO
CCCCCCCCCCCC[N@@H+]1CCC[C@H](O)C1	ZINC000036351364	567860880	/nfs/dbraw/zinc/86/08/80/567860880.db2.gz	QXVKGKUPQPASMQ-KRWDZBQOSA-N	1	0	269.473	4.364	40	30		CIEBRO
CCCCCCCCCCCCC[NH2+]C[C@@H](C)O	ZINC000073371939	567903259	/nfs/dbraw/zinc/90/32/59/567903259.db2.gz	ZTORWOYKFDPZQI-MRXNPFEDSA-N	1	0	257.462	4.268	40	30		CIEBRO
C=CC[N@H+]1[C@H](c2ccccc2)C[C@]2(C)/C(=N/O)CCCC[C@H]12	ZINC000212418532	570301431	/nfs/dbraw/zinc/30/14/31/570301431.db2.gz	CCAIZPFMNOXQFF-GCYJDHDUSA-N	1	0	298.430	4.399	40	30		CIEBRO
CCCCCCCCCCCCCC[C@@H]([NH3+])CN	ZINC000043938955	175126148	/nfs/dbraw/zinc/12/61/48/175126148.db2.gz	PWJWNZBLKWYLPP-MRXNPFEDSA-N	1	0	256.478	4.364	40	30		CIEBRO
N#C[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1	ZINC000026895112	567883189	/nfs/dbraw/zinc/88/31/89/567883189.db2.gz	ZKQZXOHHGSSQLN-FUHWJXTLSA-N	1	0	296.801	4.079	40	30		CIEBRO
CCCCCCC[NH+](CCO)CCCCCCC	ZINC000100077002	567912112	/nfs/dbraw/zinc/91/21/12/567912112.db2.gz	ZVFMAVXIWCBWRK-UHFFFAOYSA-N	1	0	257.462	4.222	40	30		CIEBRO
O=[N+](Cc1ccc(Cl)cc1Cl)c1ccccc1	ZINC000104184892	567916151	/nfs/dbraw/zinc/91/61/51/567916151.db2.gz	HUEMILSYRIWOAB-UHFFFAOYSA-N	1	0	266.127	4.254	40	30		CIEBRO
CN(/C=C/C=C/C=[N+](\C)c1ccccc1)c1ccccc1	ZINC000002539427	567931801	/nfs/dbraw/zinc/93/18/01/567931801.db2.gz	YMILDXYASPAXRR-UHFFFAOYSA-N	1	0	277.391	4.238	40	30		CIEBRO
CC1(C)[C@@H]2CC[C@@]1(C)C([NH2+]Nc1ccccc1)=CC2=O	ZINC000006257739	570216941	/nfs/dbraw/zinc/21/69/41/570216941.db2.gz	SGPKIYNXUCMLNP-UATXZWOKSA-N	1	0	270.376	4.353	40	30		CIEBRO
C/C(C[C@@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1)=N\O	ZINC000016973074	570225517	/nfs/dbraw/zinc/22/55/17/570225517.db2.gz	YASSBQUIPOISHI-AZGFIHASSA-N	1	0	294.398	4.026	40	30		CIEBRO
CSC1=C(c2ccc(C)s2)/C(=N\C(C)C)C1	ZINC000104859866	186028451	/nfs/dbraw/zinc/02/84/51/186028451.db2.gz	UJTXGIOBHJWVJA-UVTDQMKNSA-N	1	0	251.420	4.384	40	30		CIEBRO
Cc1ccc(/C=C2/CCC[C@H](C[NH+]3CCCCC3)C2=O)cc1	ZINC000031861424	256810854	/nfs/dbraw/zinc/81/08/54/256810854.db2.gz	NLQRFVDNRTUTBS-GDLUXTLDSA-N	1	0	297.442	4.234	40	30		CIEBRO
Cc1ccc2[nH+]c(C)cc(NN=Cc3ccccc3O)c2c1	ZINC000005006947	170054216	/nfs/dbraw/zinc/05/42/16/170054216.db2.gz	RPSVPBIPGQQXHW-YBFXNURJSA-N	1	0	291.354	4.003	40	30		CIEBRO
CCN(CC)c1ccc(/C=[NH+]/OCc2ccc(C)cc2)cc1	ZINC000003285008	528292853	/nfs/dbraw/zinc/29/28/53/528292853.db2.gz	UAWNYNHZRIKWIC-XSFVSMFZSA-N	1	0	296.414	4.392	40	30		CIEBRO
C(=[NH+]/Cc1ccccc1)\c1ccc(N2CCCCC2)cc1	ZINC000140311581	567095425	/nfs/dbraw/zinc/09/54/25/567095425.db2.gz	OEPZIPBQXMZCEN-CAPFRKAQSA-N	1	0	278.399	4.296	40	30		CIEBRO
C=CC[N+]1(CC#Cc2cccc3ccccc23)CCCCC1	ZINC000003205190	567163122	/nfs/dbraw/zinc/16/31/22/567163122.db2.gz	NLBOQPOHFLWCOW-UHFFFAOYSA-N	1	0	290.430	4.378	40	30		CIEBRO
CCCC[C@](C)(C[NH+](C)C)C(=O)/C=C/c1ccccc1	ZINC000001567497	567838017	/nfs/dbraw/zinc/83/80/17/567838017.db2.gz	SZJDJHCRIWFKTF-QFQMRYFISA-N	1	0	273.420	4.027	40	30		CIEBRO
Cc1ccc(/C=C2\CCC[C@@H](C[NH+]3CCCCC3)C2=O)cc1	ZINC000001643497	567840156	/nfs/dbraw/zinc/84/01/56/567840156.db2.gz	NLQRFVDNRTUTBS-ZSFFSCSXSA-N	1	0	297.442	4.234	40	30		CIEBRO
COc1ccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)cc1	ZINC000018068012	567876394	/nfs/dbraw/zinc/87/63/94/567876394.db2.gz	CIJYMDAJQWMQSG-XDHOZWIPSA-N	1	0	269.388	4.083	40	30		CIEBRO
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C	ZINC000059044624	567896338	/nfs/dbraw/zinc/89/63/38/567896338.db2.gz	YBZZUKKRRGVYQU-UHFFFAOYSA-O	1	0	299.523	4.120	40	30		CIEBRO
CCCCCCCCCCCCOC(=[NH2+])N1CCOCC1	ZINC000073276339	567903373	/nfs/dbraw/zinc/90/33/73/567903373.db2.gz	VLXNAGGKCPWWSK-UHFFFAOYSA-N	1	0	298.471	4.191	40	30		CIEBRO
C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1	ZINC000096429655	567910101	/nfs/dbraw/zinc/91/01/01/567910101.db2.gz	WRZFUOOSXMQGBT-WLXKUWDESA-N	1	0	294.398	4.271	40	30		CIEBRO
Cc1cc(N2CCCC2)ccc1/C=[NH+]\C1CCCCC1	ZINC000408962280	567933529	/nfs/dbraw/zinc/93/35/29/567933529.db2.gz	XYJPKLDZWUXAHC-RGEXLXHISA-N	1	0	270.420	4.347	40	30		CIEBRO
O/N=C1/CCCCCCCCCC[C@H]1[NH+]1CCCC1	ZINC000005621494	170121155	/nfs/dbraw/zinc/12/11/55/170121155.db2.gz	YPUQSFAZBHQHLM-CFBLSMTOSA-N	1	0	266.429	4.196	40	30		CIEBRO
CCCCCC[C@@](C#N)(CC[NH+](C)C)c1ccccc1	ZINC000005973152	170164500	/nfs/dbraw/zinc/16/45/00/170164500.db2.gz	RKDJJLXPCHGPJI-SFHVURJKSA-N	1	0	272.436	4.370	40	30		CIEBRO
N/[NH+]=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1	ZINC000006269636	170187144	/nfs/dbraw/zinc/18/71/44/170187144.db2.gz	XPBGDAVYANBKPR-RCCKNPSSSA-N	1	0	287.366	4.449	40	30		CIEBRO
C[NH+](C)CCC[C@](C#N)(c1ccccc1)C1CCCCC1	ZINC000006426280	170200628	/nfs/dbraw/zinc/20/06/28/170200628.db2.gz	UKRGHYKLCLXWCJ-IBGZPJMESA-N	1	0	284.447	4.370	40	30		CIEBRO
CCCCCCCCCCCCCC[NH2+]CCO	ZINC000008214429	170324682	/nfs/dbraw/zinc/32/46/82/170324682.db2.gz	ZUEIVCHBEQAIAL-UHFFFAOYSA-N	1	0	257.462	4.269	40	30	in-man	CIEBRO
C[C@]12CC3CC([NH2+]CC#Cc4ccccc4)(C1)C[C@@](C)(C3)C2	ZINC000008534497	170339353	/nfs/dbraw/zinc/33/93/53/170339353.db2.gz	BVXZRYBWSPBPNI-JWEZTNTCSA-N	1	0	293.454	4.377	40	30		CIEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1	ZINC000017126420	520292157	/nfs/dbraw/zinc/29/21/57/520292157.db2.gz	ASGQVNSGBFJSMI-DDKJEQMHSA-N	1	0	291.410	4.166	40	30		CIEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C\c1ccc(C)cc1	ZINC000017127556	520310690	/nfs/dbraw/zinc/31/06/90/520310690.db2.gz	LITJQCLCLXFLBN-SWNWVQGVSA-N	1	0	287.447	4.335	40	30		CIEBRO
CCCCCCCCCC1=[NH+]C(C)(C)CN1C[C@@H](C)O	ZINC000001854974	528122316	/nfs/dbraw/zinc/12/23/16/528122316.db2.gz	IGJHPQLFRMJXQK-OAHLLOKOSA-N	1	0	282.472	4.001	40	30		CIEBRO
CCCCCCCCCCC[n+]1ccc(C#N)cc1	ZINC000001712171	528124664	/nfs/dbraw/zinc/12/46/64/528124664.db2.gz	JNKWOMQGDMBTNJ-UHFFFAOYSA-N	1	0	259.417	4.377	40	30		CIEBRO
CCCCCCC[NH2+]Cc1cc(C2CC2)nn1C(C)C	ZINC000256052173	570351803	/nfs/dbraw/zinc/35/18/03/570351803.db2.gz	MEUCAPKXMMLJDS-UHFFFAOYSA-N	1	0	277.456	4.401	40	30		CIEBRO
C(#C[C@@H](c1ccccc1)C1CCCC1)C[NH+]1CCCCC1	ZINC000096194481	567140379	/nfs/dbraw/zinc/14/03/79/567140379.db2.gz	DKJVBZHPGUUOJX-FQEVSTJZSA-N	1	0	281.443	4.450	40	30		CIEBRO
CC[NH+](CC)C(C)(C)C(=O)/C=C/c1ccc(Cl)cc1	ZINC000001591438	567839049	/nfs/dbraw/zinc/83/90/49/567839049.db2.gz	JGRBXLKKQUMTSQ-FMIVXFBMSA-N	1	0	279.811	4.043	40	30		CIEBRO
CCCCCCCCO[C@H](C[NH3+])C(Cl)(Cl)Cl	ZINC000001727196	567842775	/nfs/dbraw/zinc/84/27/75/567842775.db2.gz	WSHHKWFALBAFRQ-SNVBAGLBSA-N	1	0	290.662	4.061	40	30		CIEBRO
C[NH+](C)CC(C)(C)C(=NNc1ccccc1)c1ccccc1	ZINC000017194725	567875196	/nfs/dbraw/zinc/87/51/96/567875196.db2.gz	DLVQQNUTGGBJAM-UZYVYHOESA-N	1	0	295.430	4.091	40	30		CIEBRO
CC(=N/N(C)c1ccccc1)/C(C)=[NH+]\N(C)c1ccccc1	ZINC000017427518	567875666	/nfs/dbraw/zinc/87/56/66/567875666.db2.gz	GAZUJKJJBRIPLV-IKBKFCNISA-N	1	0	294.402	4.011	40	30		CIEBRO
O/N=C1/CCC=CCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000100964719	567914339	/nfs/dbraw/zinc/91/43/39/567914339.db2.gz	PYMZQDBDMGWPTK-LQYNXBFLSA-N	1	0	298.430	4.195	40	30		CIEBRO
C=CC[N@H+]1[C@H](c2ccccc2)C[C@]2(C)C(=O)CCCC[C@H]12	ZINC000095951589	185039822	/nfs/dbraw/zinc/03/98/22/185039822.db2.gz	HQLPLGDXGVQSPT-LNLFQRSKSA-N	1	0	283.415	4.137	40	30		CIEBRO
C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1	ZINC000096903510	185128063	/nfs/dbraw/zinc/12/80/63/185128063.db2.gz	WRZFUOOSXMQGBT-CMEPIEOSSA-N	1	0	294.398	4.271	40	30		CIEBRO
C[N+](C)=C/C=C(\Cl)c1ccc(-c2ccccc2)cc1	ZINC000002146443	169776750	/nfs/dbraw/zinc/77/67/50/169776750.db2.gz	LATDIZWEDMWCIZ-ATVHPVEESA-N	1	0	270.783	4.276	40	30		CIEBRO
C[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1	ZINC000004713342	170003349	/nfs/dbraw/zinc/00/33/49/170003349.db2.gz	WRZFUOOSXMQGBT-QLDOSPRUSA-N	1	0	294.398	4.271	40	30		CIEBRO
Cc1ccc2[nH+]c(C)cc(NN=Cc3cccs3)c2c1	ZINC000005006955	170054203	/nfs/dbraw/zinc/05/42/03/170054203.db2.gz	XAHZIZFELXUFOO-LICLKQGHSA-N	1	0	281.384	4.359	40	30		CIEBRO
O/N=C1/CCCCCCCCCC[C@@H]1[NH+]1CCCC1	ZINC000005621501	170120882	/nfs/dbraw/zinc/12/08/82/170120882.db2.gz	YPUQSFAZBHQHLM-SCDSTIRESA-N	1	0	266.429	4.196	40	30		CIEBRO
c1ccc(N/C(=[NH+]\c2ccccc2)N2CCCCC2)cc1	ZINC000017255431	170731565	/nfs/dbraw/zinc/73/15/65/170731565.db2.gz	FHRHTIRYKDDYTN-UHFFFAOYSA-N	1	0	279.387	4.272	40	30		CIEBRO
CCCCCCCCCCCCC[NH2+]C[C@H](C)O	ZINC000073371941	176469473	/nfs/dbraw/zinc/46/94/73/176469473.db2.gz	ZTORWOYKFDPZQI-INIZCTEOSA-N	1	0	257.462	4.268	40	30		CIEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1	ZINC000017126422	520310506	/nfs/dbraw/zinc/31/05/06/520310506.db2.gz	ASGQVNSGBFJSMI-IVOILVROSA-N	1	0	291.410	4.166	40	30		CIEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C/c1ccc(C)cc1	ZINC000001575875	520310704	/nfs/dbraw/zinc/31/07/04/520310704.db2.gz	LITJQCLCLXFLBN-KAUXGEHWSA-N	1	0	287.447	4.335	40	30		CIEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1	ZINC000001574756	520311376	/nfs/dbraw/zinc/31/13/76/520311376.db2.gz	ASGQVNSGBFJSMI-QSOAKEGCSA-N	1	0	291.410	4.166	40	30		CIEBRO
C(#C[C@H](c1ccccc1)C1CCCC1)C[NH+]1CCCCC1	ZINC000096194480	567140432	/nfs/dbraw/zinc/14/04/32/567140432.db2.gz	DKJVBZHPGUUOJX-HXUWFJFHSA-N	1	0	281.443	4.450	40	30		CIEBRO
C[NH+](C)CCC[C@@](C#N)(c1ccccc1)C1CCCCC1	ZINC000001646401	567840171	/nfs/dbraw/zinc/84/01/71/567840171.db2.gz	UKRGHYKLCLXWCJ-LJQANCHMSA-N	1	0	284.447	4.370	40	30		CIEBRO
Cc1ccc(/C=C2/CCC[C@@H](C[NH+]3CCCCC3)C2=O)cc1	ZINC000031861423	567885154	/nfs/dbraw/zinc/88/51/54/567885154.db2.gz	NLQRFVDNRTUTBS-BSKAQADGSA-N	1	0	297.442	4.234	40	30		CIEBRO