smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](O)CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118858385	221197502	/nfs/dbraw/zinc/19/75/02/221197502.db2.gz	GADWIOASCKPEJU-SJORKVTESA-N	0	1	333.432	0.686	10	30		ECEEMN
C=CCNC(=O)[C@H](C)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000105845713	436581592	/nfs/dbraw/zinc/58/15/92/436581592.db2.gz	UWNZEMUKVVSHCI-DLBZAZTESA-N	0	1	338.496	0.404	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247209588	436789978	/nfs/dbraw/zinc/78/99/78/436789978.db2.gz	POJKAIQLCUOJBF-KBPBESRZSA-N	0	1	346.435	0.778	10	30		ECEEMN
Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173733622	437061912	/nfs/dbraw/zinc/06/19/12/437061912.db2.gz	VGELXTVDFGRPRT-CYBMUJFWSA-N	0	1	333.373	0.747	10	30		ECEEMN
CCN1CCN(C([O-])=[NH+]CCn2cccn2)C[C@H]1c1nccn1C	ZINC000328615372	437238973	/nfs/dbraw/zinc/23/89/73/437238973.db2.gz	AVCUTIAGSHCURS-AWEZNQCLSA-N	0	1	331.424	0.909	10	30		ECEEMN
N#Cc1cccc(C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC000886077972	590791602	/nfs/dbraw/zinc/79/16/02/590791602.db2.gz	SFYWVWSQSSAGKP-QGZVFWFLSA-N	0	1	329.356	0.560	10	30		ECEEMN
C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105802551	436577607	/nfs/dbraw/zinc/57/76/07/436577607.db2.gz	UNZUNMIPLDKBQX-CYBMUJFWSA-N	0	1	332.408	0.389	10	30		ECEEMN
C#CCOCCC(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000131830867	436858100	/nfs/dbraw/zinc/85/81/00/436858100.db2.gz	WXYXCYIYDPHFKG-QGZVFWFLSA-N	0	1	337.464	0.280	10	30		ECEEMN
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)[C@@]12C[C@H]3C[C@@](O)(C1)C[C@](O)(C3)C2	ZINC000103572481	303171946	/nfs/dbraw/zinc/17/19/46/303171946.db2.gz	GAWUJFVQGSLSSZ-KWSKYRASSA-N	0	1	331.416	0.273	10	30	in-vitro	ECEEMN
C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1C	ZINC000175960983	207176657	/nfs/dbraw/zinc/17/66/57/207176657.db2.gz	MIBDYJKIIPNSKR-ZIAGYGMSSA-N	0	1	344.415	0.202	10	30		ECEEMN
C[C@@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1C	ZINC000175960983	207176659	/nfs/dbraw/zinc/17/66/59/207176659.db2.gz	MIBDYJKIIPNSKR-ZIAGYGMSSA-N	0	1	344.415	0.202	10	30		ECEEMN
CC[C@@H](O)CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118858388	221197694	/nfs/dbraw/zinc/19/76/94/221197694.db2.gz	GADWIOASCKPEJU-IAGOWNOFSA-N	0	1	333.432	0.686	10	30		ECEEMN
C[N@H+](CC(=O)[O-])C[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCO1	ZINC000262103882	436908127	/nfs/dbraw/zinc/90/81/27/436908127.db2.gz	JEKCTGMZMQFAOJ-LBPRGKRZSA-N	0	1	334.332	0.688	10	30		ECEEMN
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1	ZINC000263497431	436967621	/nfs/dbraw/zinc/96/76/21/436967621.db2.gz	ROFKSADNMZVXGZ-HIFPTAJRSA-N	0	1	346.453	0.240	10	30		ECEEMN
Cc1cc(C)n(C[C@H]2CN(CCC(=O)N(C)CCC#N)CCO2)n1	ZINC000131526452	436853260	/nfs/dbraw/zinc/85/32/60/436853260.db2.gz	FDIMHVPLBZHWPJ-MRXNPFEDSA-N	0	1	333.436	0.963	10	30		ECEEMN
Cc1nc([C@H]2CN(CC(=O)Nc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173663231	437060444	/nfs/dbraw/zinc/06/04/44/437060444.db2.gz	HOSBIEPLVLJIJO-CQSZACIVSA-N	0	1	326.360	0.997	10	30		ECEEMN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1	ZINC000181302246	437314533	/nfs/dbraw/zinc/31/45/33/437314533.db2.gz	QZAYWOSDWNHZTA-KRWDZBQOSA-N	0	1	345.447	0.753	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOCC)[C@@H](CC)C1	ZINC000105838200	545739369	/nfs/dbraw/zinc/73/93/69/545739369.db2.gz	VICNDHPPDYJPJM-GJZGRUSLSA-N	0	1	340.468	0.819	10	30		ECEEMN
Cc1nc([C@H]2CN(CC(=O)N(CCC#N)CCC#N)CCO2)n[nH]1	ZINC000173673876	437060253	/nfs/dbraw/zinc/06/02/53/437060253.db2.gz	RUOYQIVEVUSZDK-CYBMUJFWSA-N	0	1	331.380	0.142	10	30		ECEEMN
C#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1	ZINC000180224050	437283885	/nfs/dbraw/zinc/28/38/85/437283885.db2.gz	WZOMIZYIQNGSLO-AWEZNQCLSA-N	0	1	339.355	0.633	10	30		ECEEMN
C=CCNC(=O)NC(=O)CN1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000105884632	436584192	/nfs/dbraw/zinc/58/41/92/436584192.db2.gz	DYBMAGYDBUGZQS-AWEZNQCLSA-N	0	1	334.424	0.619	10	30		ECEEMN
C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1N1CCOCC1	ZINC000177274873	437176806	/nfs/dbraw/zinc/17/68/06/437176806.db2.gz	CUCZNUHKQIJPPR-CVEARBPZSA-N	0	1	333.436	0.295	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOC)[C@@H](CC)C1	ZINC000247221476	436789346	/nfs/dbraw/zinc/78/93/46/436789346.db2.gz	QNSNVVHVJNQEIE-KGLIPLIRSA-N	0	1	326.441	0.429	10	30		ECEEMN
C[N@H+](CC(=O)[O-])C[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCO1	ZINC000262147031	436910511	/nfs/dbraw/zinc/91/05/11/436910511.db2.gz	QPKVYCVTBJGSKU-LBPRGKRZSA-N	0	1	334.332	0.688	10	30		ECEEMN
C#CCNC(=O)c1ccc(NC2CC([N@@H+](CC)CC(=O)[O-])C2)nc1	ZINC000263562843	436972063	/nfs/dbraw/zinc/97/20/63/436972063.db2.gz	SYXBOQYZQJULAX-UHFFFAOYSA-N	0	1	330.388	0.794	10	30		ECEEMN
C[C@@H]1[C@H](N2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCn2ccnc2C1	ZINC000329506672	289044329	/nfs/dbraw/zinc/04/43/29/289044329.db2.gz	AQCXVZFZNIVVAX-RBSFLKMASA-N	0	1	333.436	0.907	10	30		ECEEMN
C#CCN1CCC(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)CC1	ZINC000112069133	436632566	/nfs/dbraw/zinc/63/25/66/436632566.db2.gz	ITOFGSJZLFHKSI-QGZVFWFLSA-N	0	1	330.432	0.764	10	30		ECEEMN
N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c(F)c1	ZINC000125355172	436768538	/nfs/dbraw/zinc/76/85/38/436768538.db2.gz	UAPNDDFEIRLIQN-VIFPVBQESA-N	0	1	339.327	0.721	10	30		ECEEMN
Cc1nc([C@@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)n[nH]1	ZINC000123109055	222217748	/nfs/dbraw/zinc/21/77/48/222217748.db2.gz	RIROGKOQBCKPJV-LBPRGKRZSA-N	0	1	333.373	0.747	10	30		ECEEMN
N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c(F)c1	ZINC000125354958	222550949	/nfs/dbraw/zinc/55/09/49/222550949.db2.gz	UAPNDDFEIRLIQN-SECBINFHSA-N	0	1	339.327	0.721	10	30		ECEEMN
CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000181559748	437323652	/nfs/dbraw/zinc/32/36/52/437323652.db2.gz	XTTXEAIPEABFIE-LBPRGKRZSA-N	0	1	338.433	0.747	10	30		ECEEMN
C#CCNC(=O)c1ccc(N2CCN(CCOCC)[C@@H](C)C2)nc1	ZINC000174735750	437086450	/nfs/dbraw/zinc/08/64/50/437086450.db2.gz	FNFSIFILCIYXCE-HNNXBMFYSA-N	0	1	330.432	0.992	10	30		ECEEMN
COCCN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247084692	165153840	/nfs/dbraw/zinc/15/38/40/165153840.db2.gz	HGFCCXINIQQXEN-DOTOQJQBSA-N	0	1	333.432	0.950	10	30		ECEEMN
C[C@@H](C(=O)N(C)CCC#N)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869529	436583171	/nfs/dbraw/zinc/58/31/71/436583171.db2.gz	OQSKRNLXRGXFSK-HNNXBMFYSA-N	0	1	332.452	0.688	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263045743	436949221	/nfs/dbraw/zinc/94/92/21/436949221.db2.gz	TZEKCCKUNIFFLX-DJLDLDEBSA-N	0	1	337.298	0.582	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263045743	436949223	/nfs/dbraw/zinc/94/92/23/436949223.db2.gz	TZEKCCKUNIFFLX-DJLDLDEBSA-N	0	1	337.298	0.582	10	30		ECEEMN
Cc1nc([C@@H]2CN(C(=O)COc3ccccc3C#N)CCO2)n[nH]1	ZINC000173541055	437053662	/nfs/dbraw/zinc/05/36/62/437053662.db2.gz	JIONXAIKWPAAGU-AWEZNQCLSA-N	0	1	327.344	0.964	10	30		ECEEMN
CCOc1ccnc(N2CCN(CCC(=O)N(C)CCC#N)CC2)n1	ZINC000131520166	254498374	/nfs/dbraw/zinc/49/83/74/254498374.db2.gz	PUEHWUGIAJDQFU-UHFFFAOYSA-N	0	1	346.435	0.759	10	30		ECEEMN
C[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1C	ZINC000246872290	165145379	/nfs/dbraw/zinc/14/53/79/165145379.db2.gz	MIBDYJKIIPNSKR-KGLIPLIRSA-N	0	1	344.415	0.202	10	30		ECEEMN
COCCN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247086459	165153154	/nfs/dbraw/zinc/15/31/54/165153154.db2.gz	HGFCCXINIQQXEN-NVXWUHKLSA-N	0	1	333.432	0.950	10	30		ECEEMN
C#CCNC(=O)c1ccc(NC[C@@H](c2cnn(C)c2)N(C)C)nc1	ZINC000301298177	437117175	/nfs/dbraw/zinc/11/71/75/437117175.db2.gz	STZIMIGVBVUGEL-HNNXBMFYSA-N	0	1	326.404	0.893	10	30		ECEEMN
Cc1nc([C@@H]2CN(S(=O)(=O)c3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173734386	437061509	/nfs/dbraw/zinc/06/15/09/437061509.db2.gz	AJXDUJNMNASPHJ-ZDUSSCGKSA-N	0	1	333.373	0.747	10	30		ECEEMN
C[C@@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H]1C	ZINC000175960998	437126443	/nfs/dbraw/zinc/12/64/43/437126443.db2.gz	MIBDYJKIIPNSKR-UONOGXRCSA-N	0	1	344.415	0.202	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOCC)[C@H](CC)C1	ZINC000247376174	436793509	/nfs/dbraw/zinc/79/35/09/436793509.db2.gz	VICNDHPPDYJPJM-HUUCEWRRSA-N	0	1	340.468	0.819	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263045744	436948910	/nfs/dbraw/zinc/94/89/10/436948910.db2.gz	TZEKCCKUNIFFLX-IWSPIJDZSA-N	0	1	337.298	0.582	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263045744	436948912	/nfs/dbraw/zinc/94/89/12/436948912.db2.gz	TZEKCCKUNIFFLX-IWSPIJDZSA-N	0	1	337.298	0.582	10	30		ECEEMN
CN1C(=O)NC(=O)C(=NNc2ccc(Br)cc2)C1=O	ZINC000103660221	277016176	/nfs/dbraw/zinc/01/61/76/277016176.db2.gz	QMPQIZXYHRVDSC-NVNXTCNLSA-N	0	1	325.122	0.925	10	30		ECEEMN
C[C@@H]1[C@H](N2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCn2ccnc2C1	ZINC000329506670	289044175	/nfs/dbraw/zinc/04/41/75/289044175.db2.gz	AQCXVZFZNIVVAX-QLFBSQMISA-N	0	1	333.436	0.907	10	30		ECEEMN
N#CCCN(CCC#N)C(=O)CN1CCC[C@H](Cn2cncn2)C1	ZINC000105884435	436585551	/nfs/dbraw/zinc/58/55/51/436585551.db2.gz	UOSAZWKEIAXLRX-HNNXBMFYSA-N	0	1	329.408	0.646	10	30		ECEEMN
C#CCCCNC(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000173326684	437044268	/nfs/dbraw/zinc/04/42/68/437044268.db2.gz	ROTUBFNMNNXCCH-KRWDZBQOSA-N	0	1	336.480	0.836	10	30		ECEEMN
O=C(NCCn1cccn1)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1	ZINC000328626611	527586104	/nfs/dbraw/zinc/58/61/04/527586104.db2.gz	FFZYRBCXABOMNK-GFCCVEGCSA-N	0	1	331.380	0.551	10	30		ECEEMN
CN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000170865808	436959239	/nfs/dbraw/zinc/95/92/39/436959239.db2.gz	SQWGRPZNRMTVBN-OAHLLOKOSA-N	0	1	335.429	0.636	10	30		ECEEMN
Cc1nc([C@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173736369	437061545	/nfs/dbraw/zinc/06/15/45/437061545.db2.gz	KFQATXICCGXGII-CQSZACIVSA-N	0	1	347.400	0.888	10	30		ECEEMN
CCN1CCN(C([O-])=[NH+]CCn2cccn2)C[C@@H]1c1nccn1C	ZINC000328615373	437239626	/nfs/dbraw/zinc/23/96/26/437239626.db2.gz	AVCUTIAGSHCURS-CQSZACIVSA-N	0	1	331.424	0.909	10	30		ECEEMN
COCCN1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000105833142	545740385	/nfs/dbraw/zinc/74/03/85/545740385.db2.gz	HGFCCXINIQQXEN-WBVHZDCISA-N	0	1	333.432	0.950	10	30		ECEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000262492919	165355326	/nfs/dbraw/zinc/35/53/26/165355326.db2.gz	YETNKWNKZXFHQC-UHFFFAOYSA-N	0	1	337.401	0.774	10	30		ECEEMN
C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCO1	ZINC000262103879	436908103	/nfs/dbraw/zinc/90/81/03/436908103.db2.gz	JEKCTGMZMQFAOJ-GFCCVEGCSA-N	0	1	334.332	0.688	10	30		ECEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)CC2(C#N)CCCC2)C1	ZINC000263503679	436970006	/nfs/dbraw/zinc/97/00/06/436970006.db2.gz	USXMVQJVWWGDPT-UHFFFAOYSA-N	0	1	343.449	0.927	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOC)[C@@H](CC)C1	ZINC000105836818	545740223	/nfs/dbraw/zinc/74/02/23/545740223.db2.gz	QNSNVVHVJNQEIE-KBPBESRZSA-N	0	1	326.441	0.429	10	30		ECEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000262463787	165354012	/nfs/dbraw/zinc/35/40/12/165354012.db2.gz	LEPDABPBHIVBEP-UHFFFAOYSA-N	0	1	338.389	0.169	10	30		ECEEMN
N#CCc1cccc(C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC000886077558	590790749	/nfs/dbraw/zinc/79/07/49/590790749.db2.gz	JFHMWMVHGRGZOV-GOSISDBHSA-N	0	1	343.383	0.754	10	30		ECEEMN
COc1c(CNC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c(C)nn1C	ZINC000329728970	254616256	/nfs/dbraw/zinc/61/62/56/254616256.db2.gz	HKHAGTIWUWPXKX-GFCCVEGCSA-N	0	1	349.395	0.651	10	30		ECEEMN
C=CCCS(=O)(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000120701252	436696758	/nfs/dbraw/zinc/69/67/58/436696758.db2.gz	JRMBHTYSMMZWBD-MRXNPFEDSA-N	0	1	345.509	0.619	10	30		ECEEMN
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1	ZINC000263497432	436968293	/nfs/dbraw/zinc/96/82/93/436968293.db2.gz	ROFKSADNMZVXGZ-PNESKVBLSA-N	0	1	346.453	0.240	10	30		ECEEMN
Cc1nc([C@@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173736350	437062871	/nfs/dbraw/zinc/06/28/71/437062871.db2.gz	KFQATXICCGXGII-AWEZNQCLSA-N	0	1	347.400	0.888	10	30		ECEEMN
CN(C)C1(C#N)CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329427656	282024930	/nfs/dbraw/zinc/02/49/30/282024930.db2.gz	GTRJFTBHCNGLEK-QWHCGFSZSA-N	0	1	333.396	0.052	10	30		ECEEMN
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3C[C@@](O)(C1)C[C@](O)(C3)C2	ZINC000013648759	436066185	/nfs/dbraw/zinc/06/61/85/436066185.db2.gz	GAWUJFVQGSLSSZ-ZRDSGBHLSA-N	0	1	331.416	0.273	10	30		ECEEMN
CN(C1CCN(CCn2cccn2)CC1)S(=O)(=O)CCCC#N	ZINC000111342497	436630433	/nfs/dbraw/zinc/63/04/33/436630433.db2.gz	MJWFKIXLKSUERJ-UHFFFAOYSA-N	0	1	339.465	0.913	10	30		ECEEMN
CCc1nc([C@H]2CN(S(=O)(=O)CC3(C#N)CC3)CCO2)n[nH]1	ZINC000165740582	436935055	/nfs/dbraw/zinc/93/50/55/436935055.db2.gz	XRVZUGJSNOLUIS-SNVBAGLBSA-N	0	1	325.394	0.374	10	30		ECEEMN
C#CCNC(=O)c1ccc(N2CCN(CCOC)[C@H](CC)C2)nc1	ZINC000174736758	437088209	/nfs/dbraw/zinc/08/82/09/437088209.db2.gz	BSOJAZOWMBBRSB-MRXNPFEDSA-N	0	1	330.432	0.992	10	30		ECEEMN
C#CCNC(=O)[C@@H](C)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191981957	437658762	/nfs/dbraw/zinc/65/87/62/437658762.db2.gz	LBVFZKJIBRPVBA-CQSZACIVSA-N	0	1	337.464	0.862	10	30		ECEEMN
CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000181559766	437324048	/nfs/dbraw/zinc/32/40/48/437324048.db2.gz	XTTXEAIPEABFIE-GFCCVEGCSA-N	0	1	338.433	0.747	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOC)[C@H](CC)C1	ZINC000105836816	545738803	/nfs/dbraw/zinc/73/88/03/545738803.db2.gz	QNSNVVHVJNQEIE-UONOGXRCSA-N	0	1	326.441	0.429	10	30		ECEEMN
C=C1CS[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000143487392	436674566	/nfs/dbraw/zinc/67/45/66/436674566.db2.gz	LROYCRSHQNGOQU-MCYUEQNJSA-N	0	1	347.396	0.096	10	30		ECEEMN
C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCO1	ZINC000262147028	436910717	/nfs/dbraw/zinc/91/07/17/436910717.db2.gz	QPKVYCVTBJGSKU-GFCCVEGCSA-N	0	1	334.332	0.688	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOCC)[C@H](CC)C1	ZINC000105838198	545739122	/nfs/dbraw/zinc/73/91/22/545739122.db2.gz	VICNDHPPDYJPJM-LSDHHAIUSA-N	0	1	340.468	0.819	10	30		ECEEMN
Cc1nc([C@H]2CN(C(=O)COc3ccccc3C#N)CCO2)n[nH]1	ZINC000173541068	164857035	/nfs/dbraw/zinc/85/70/35/164857035.db2.gz	JIONXAIKWPAAGU-CQSZACIVSA-N	0	1	327.344	0.964	10	30		ECEEMN
[NH3+]CCc1ccc(S(=O)(=O)[N-]C(=O)N[C@H]2CCC[C@@H](O)C2)cc1	ZINC000077271169	436230818	/nfs/dbraw/zinc/23/08/18/436230818.db2.gz	VCKOJLCOICOPJG-QWHCGFSZSA-N	0	1	341.433	0.684	10	30	in-vitro	ECEEMN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOC)[C@H](CC)C1	ZINC000247221492	436789881	/nfs/dbraw/zinc/78/98/81/436789881.db2.gz	QNSNVVHVJNQEIE-ZIAGYGMSSA-N	0	1	326.441	0.429	10	30		ECEEMN
CC(C)N1CCO[C@H](CN2CCN(C(=O)NC[C@@H](C)C#N)CC2)C1	ZINC000182856125	437364781	/nfs/dbraw/zinc/36/47/81/437364781.db2.gz	KETXBJYAAHXWDE-JKSUJKDBSA-N	0	1	337.468	0.582	10	30		ECEEMN
C=CCNC(=O)NC(=O)CN1CCN(CCOCC)[C@H](CC)C1	ZINC000105837506	545740533	/nfs/dbraw/zinc/74/05/33/545740533.db2.gz	FJXXKOAAUYHSMY-CQSZACIVSA-N	0	1	326.441	0.431	10	30		ECEEMN
Cc1noc([C@@H](C)N2CCN(CCC(=O)N(C)CCC#N)CC2)n1	ZINC000131514413	436852644	/nfs/dbraw/zinc/85/26/44/436852644.db2.gz	CGJAPRKMCWEIKG-CYBMUJFWSA-N	0	1	334.424	0.819	10	30		ECEEMN
C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCOCC1	ZINC000124206876	222391971	/nfs/dbraw/zinc/39/19/71/222391971.db2.gz	AEJYTLMXWPYBLH-JTQLQIEISA-N	0	1	345.371	0.835	10	30		ECEEMN
CN(CC(=O)N1CCNCC1)c1nc(C(F)(F)F)ccc1C#N	ZINC000261708460	165231433	/nfs/dbraw/zinc/23/14/33/165231433.db2.gz	KQZVWDYKHQOYJV-UHFFFAOYSA-N	0	1	327.310	0.840	10	30		ECEEMN
C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCOCC1	ZINC000124207154	222391151	/nfs/dbraw/zinc/39/11/51/222391151.db2.gz	AEJYTLMXWPYBLH-SNVBAGLBSA-N	0	1	345.371	0.835	10	30		ECEEMN
C#CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCN(C)CC1	ZINC000226278295	436713946	/nfs/dbraw/zinc/71/39/46/436713946.db2.gz	UUYNYQRETRPNJD-UHFFFAOYSA-N	0	1	325.372	0.809	10	30		ECEEMN
C#CCNC(=O)[C@H](C)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191981953	437659009	/nfs/dbraw/zinc/65/90/09/437659009.db2.gz	LBVFZKJIBRPVBA-AWEZNQCLSA-N	0	1	337.464	0.862	10	30		ECEEMN
CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)N(C)C1	ZINC000583620225	439488759	/nfs/dbraw/zinc/48/87/59/439488759.db2.gz	ORCKHZVOPGQTSJ-HOTGVXAUSA-N	0	1	329.404	0.321	10	30		ECEEMN
Cc1cc(N/N=C/c2c(O)nc3ccccn3c2=O)c2nncn2n1	ZINC000016848352	436097902	/nfs/dbraw/zinc/09/79/02/436097902.db2.gz	VOZPYEPKLGUALW-FRKPEAEDSA-N	0	1	336.315	0.592	10	30		ECEEMN
CN(CCC#N)C(=O)CCN1CCN(c2ccc3nncn3n2)CC1	ZINC000131503229	436852673	/nfs/dbraw/zinc/85/26/73/436852673.db2.gz	FCWFAVUCHIRZJP-UHFFFAOYSA-N	0	1	342.407	0.008	10	30		ECEEMN
CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)NCC#N)CC1	ZINC000190502137	437628898	/nfs/dbraw/zinc/62/88/98/437628898.db2.gz	VTJXCTGRYDTBJB-AWEZNQCLSA-N	0	1	338.452	0.754	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000105826899	545738272	/nfs/dbraw/zinc/73/82/72/545738272.db2.gz	KSKQFKQBNRSXTK-HZSPNIEDSA-N	0	1	326.441	0.164	10	30		ECEEMN
Cn1cc(O[C@@H]2CN(CCOc3cccc(C#N)c3)C[C@H]2O)cn1	ZINC000599501738	439494930	/nfs/dbraw/zinc/49/49/30/439494930.db2.gz	VUBQIXQLUXPCBJ-IAGOWNOFSA-N	0	1	328.372	0.795	10	30		ECEEMN
Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCN(C(=O)CC#N)CC1	ZINC000895065198	586159462	/nfs/dbraw/zinc/15/94/62/586159462.db2.gz	ACCOCMXDVCRVEW-GOEBONIOSA-N	0	1	331.420	0.946	10	30		ECEEMN
N#Cc1cccc(C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC000886077970	590791752	/nfs/dbraw/zinc/79/17/52/590791752.db2.gz	SFYWVWSQSSAGKP-KRWDZBQOSA-N	0	1	329.356	0.560	10	30		ECEEMN
C#CCOCCC(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000131831043	436856924	/nfs/dbraw/zinc/85/69/24/436856924.db2.gz	WXYXCYIYDPHFKG-KRWDZBQOSA-N	0	1	337.464	0.280	10	30		ECEEMN
Cc1nc([C@H]2CN(CC(=O)NC3(C#N)CCCCC3)CCO2)n[nH]1	ZINC000173673343	437060708	/nfs/dbraw/zinc/06/07/08/437060708.db2.gz	YECBGEKUWYZKIN-CYBMUJFWSA-N	0	1	332.408	0.829	10	30		ECEEMN
O=C(NCCn1cccn1)N[C@H]1CCCN(c2ncc[nH]c2=O)C1	ZINC000328626612	437241790	/nfs/dbraw/zinc/24/17/90/437241790.db2.gz	FFZYRBCXABOMNK-LBPRGKRZSA-N	0	1	331.380	0.551	10	30		ECEEMN
C#CCN1CCC(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)CC1	ZINC000112069131	436632458	/nfs/dbraw/zinc/63/24/58/436632458.db2.gz	ITOFGSJZLFHKSI-KRWDZBQOSA-N	0	1	330.432	0.764	10	30		ECEEMN
C#CCNC(=O)c1ccc(N2CCN(CCOCC)[C@H](C)C2)nc1	ZINC000246076743	436772331	/nfs/dbraw/zinc/77/23/31/436772331.db2.gz	FNFSIFILCIYXCE-OAHLLOKOSA-N	0	1	330.432	0.992	10	30		ECEEMN
N#Cc1ccc(C(=O)NCC(=O)N2CCN3CCCC[C@H]3C2)cc1	ZINC000171117218	436968591	/nfs/dbraw/zinc/96/85/91/436968591.db2.gz	HLQSRUWPKPGACN-INIZCTEOSA-N	0	1	326.400	0.985	10	30		ECEEMN
CCc1nc([C@@H]2CN(S(=O)(=O)CC3(C#N)CC3)CCO2)n[nH]1	ZINC000165740456	436935784	/nfs/dbraw/zinc/93/57/84/436935784.db2.gz	XRVZUGJSNOLUIS-JTQLQIEISA-N	0	1	325.394	0.374	10	30		ECEEMN
COCCN1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105833145	545740260	/nfs/dbraw/zinc/74/02/60/545740260.db2.gz	HGFCCXINIQQXEN-RDJZCZTQSA-N	0	1	333.432	0.950	10	30		ECEEMN
Cn1ccnc(N2CCC[C@@H](NC([O-])=[NH+]CCn3cccn3)C2)c1=O	ZINC000328629619	437241980	/nfs/dbraw/zinc/24/19/80/437241980.db2.gz	IKOAZWUBYXGSKA-CYBMUJFWSA-N	0	1	345.407	0.149	10	30		ECEEMN
C[C@@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)N(C)CCC#N	ZINC000181565573	437324543	/nfs/dbraw/zinc/32/45/43/437324543.db2.gz	WLBSWDNFAXKKLS-VXGBXAGGSA-N	0	1	338.433	0.745	10	30		ECEEMN
Cc1noc([C@H](C)N2CCN(CCC(=O)N(C)CCC#N)CC2)n1	ZINC000131514617	436853417	/nfs/dbraw/zinc/85/34/17/436853417.db2.gz	CGJAPRKMCWEIKG-ZDUSSCGKSA-N	0	1	334.424	0.819	10	30		ECEEMN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1	ZINC000175584638	437108860	/nfs/dbraw/zinc/10/88/60/437108860.db2.gz	NAQGXXGEYJZDFD-INIZCTEOSA-N	0	1	345.447	0.753	10	30		ECEEMN
C=CCNC(=O)[C@@H](C)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000247372718	436793826	/nfs/dbraw/zinc/79/38/26/436793826.db2.gz	UWNZEMUKVVSHCI-IAGOWNOFSA-N	0	1	338.496	0.404	10	30		ECEEMN
Cc1cc(C)n(C[C@@H]2CN(CCC(=O)N(C)CCC#N)CCO2)n1	ZINC000131526273	436853662	/nfs/dbraw/zinc/85/36/62/436853662.db2.gz	FDIMHVPLBZHWPJ-INIZCTEOSA-N	0	1	333.436	0.963	10	30		ECEEMN
CNC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(C)C	ZINC000183661146	437388399	/nfs/dbraw/zinc/38/83/99/437388399.db2.gz	CLJSNHJEINQBDL-GOEBONIOSA-N	0	1	337.468	0.039	10	30		ECEEMN
CNC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C	ZINC000183661131	437388460	/nfs/dbraw/zinc/38/84/60/437388460.db2.gz	CLJSNHJEINQBDL-GDBMZVCRSA-N	0	1	337.468	0.039	10	30		ECEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccc(C#N)cc2)C1	ZINC000263220811	436956088	/nfs/dbraw/zinc/95/60/88/436956088.db2.gz	YRPGHELHATYBPV-UHFFFAOYSA-N	0	1	331.372	0.991	10	30		ECEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000262454044	165351382	/nfs/dbraw/zinc/35/13/82/165351382.db2.gz	GTGBVARHWHGQOX-UHFFFAOYSA-N	0	1	337.401	0.774	10	30		ECEEMN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)CSCC#N)CC2)C1	ZINC000105818286	436579980	/nfs/dbraw/zinc/57/99/80/436579980.db2.gz	HCEURNVDPDHSER-HNNXBMFYSA-N	0	1	340.493	0.497	10	30		ECEEMN
COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CN1CCCC1=O	ZINC000111685506	436631534	/nfs/dbraw/zinc/63/15/34/436631534.db2.gz	NGHNFBTYFVUBAZ-QGZVFWFLSA-N	0	1	331.416	0.990	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOCC)[C@@H](CC)C1	ZINC000247376159	436793013	/nfs/dbraw/zinc/79/30/13/436793013.db2.gz	VICNDHPPDYJPJM-CABCVRRESA-N	0	1	340.468	0.819	10	30		ECEEMN
C#CCNC(=O)c1ccc(NC[C@H](c2cnn(C)c2)N(C)C)nc1	ZINC000301298178	437116694	/nfs/dbraw/zinc/11/66/94/437116694.db2.gz	STZIMIGVBVUGEL-OAHLLOKOSA-N	0	1	326.404	0.893	10	30		ECEEMN
Cc1nn(C)c(C)c1CN1CCN(CCC(=O)N(C)CCC#N)CC1	ZINC000181563272	437323455	/nfs/dbraw/zinc/32/34/55/437323455.db2.gz	MZEKMYXQAOSXEQ-UHFFFAOYSA-N	0	1	346.479	0.917	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@@H](C)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247209593	436790432	/nfs/dbraw/zinc/79/04/32/436790432.db2.gz	POJKAIQLCUOJBF-KGLIPLIRSA-N	0	1	346.435	0.778	10	30		ECEEMN
CC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CCN1C[C@@H](C)O	ZINC000105827741	545736900	/nfs/dbraw/zinc/73/69/00/545736900.db2.gz	ADFNCEFWUYNQKX-CVEARBPZSA-N	0	1	335.452	0.419	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000105826901	545737790	/nfs/dbraw/zinc/73/77/90/545737790.db2.gz	KSKQFKQBNRSXTK-RDBSUJKOSA-N	0	1	326.441	0.164	10	30		ECEEMN
CCN(CC(=O)OC(C)(C)C)C1CCN(CC(=O)NCC#N)CC1	ZINC000190353654	437623822	/nfs/dbraw/zinc/62/38/22/437623822.db2.gz	RFXDUALBODWSJC-UHFFFAOYSA-N	0	1	338.452	0.754	10	30		ECEEMN
CC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CCN1C[C@H](C)O	ZINC000246307295	436777384	/nfs/dbraw/zinc/77/73/84/436777384.db2.gz	ADFNCEFWUYNQKX-JKSUJKDBSA-N	0	1	335.452	0.419	10	30		ECEEMN
Cc1nc([C@@H]2CN(CC(=O)Nc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173668704	437059697	/nfs/dbraw/zinc/05/96/97/437059697.db2.gz	NQBVKUXCNZMEQD-AWEZNQCLSA-N	0	1	326.360	0.997	10	30		ECEEMN
C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(S(N)(=O)=O)cc1	ZINC000181565537	437323301	/nfs/dbraw/zinc/32/33/01/437323301.db2.gz	WLBSWDNFAXKKLS-NEPJUHHUSA-N	0	1	338.433	0.745	10	30		ECEEMN
CN(C)CCCNc1ncnc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O	ZINC000003921458	210094539	/nfs/dbraw/zinc/09/45/39/210094539.db2.gz	VAQMBBQFJFTWPC-UHFFFAOYSA-N	0	1	342.403	0.062	10	30		ECEEMN
C=CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105803651	436578722	/nfs/dbraw/zinc/57/87/22/436578722.db2.gz	POJKAIQLCUOJBF-UONOGXRCSA-N	0	1	346.435	0.778	10	30		ECEEMN
COCCN(Cc1ccc(C#N)cc1)C[C@H](O)CN1CCCC1=O	ZINC000111685504	436631699	/nfs/dbraw/zinc/63/16/99/436631699.db2.gz	NGHNFBTYFVUBAZ-KRWDZBQOSA-N	0	1	331.416	0.990	10	30		ECEEMN
Cc1nc([C@@H]2CN(CC(=O)N(CCC#N)CCC#N)CCO2)n[nH]1	ZINC000173673868	437060906	/nfs/dbraw/zinc/06/09/06/437060906.db2.gz	RUOYQIVEVUSZDK-ZDUSSCGKSA-N	0	1	331.380	0.142	10	30		ECEEMN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)NC[C@@H](C)C#N)CC2)C1	ZINC000182856152	437364475	/nfs/dbraw/zinc/36/44/75/437364475.db2.gz	KETXBJYAAHXWDE-HOTGVXAUSA-N	0	1	337.468	0.582	10	30		ECEEMN
CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)NCC#N)CC1	ZINC000190502115	437629647	/nfs/dbraw/zinc/62/96/47/437629647.db2.gz	VTJXCTGRYDTBJB-CQSZACIVSA-N	0	1	338.452	0.754	10	30		ECEEMN
C=CCNC(=O)[C@H](C)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000105845721	436581685	/nfs/dbraw/zinc/58/16/85/436581685.db2.gz	UWNZEMUKVVSHCI-IRXDYDNUSA-N	0	1	338.496	0.404	10	30		ECEEMN
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CC(C)N1CCO[C@@H](CN2CCN(C(=O)NC[C@H](C)C#N)CC2)C1	ZINC000248441314	436802730	/nfs/dbraw/zinc/80/27/30/436802730.db2.gz	KETXBJYAAHXWDE-CVEARBPZSA-N	0	1	337.468	0.582	10	30		ECEEMN
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Cc1nc([C@@H]2CN(CC(=O)NC3(C#N)CCCCC3)CCO2)n[nH]1	ZINC000173673327	437059364	/nfs/dbraw/zinc/05/93/64/437059364.db2.gz	YECBGEKUWYZKIN-ZDUSSCGKSA-N	0	1	332.408	0.829	10	30		ECEEMN
CCc1nc([C@@H]2CN(S(=O)(=O)CCCCC#N)CCO2)n[nH]1	ZINC000173737203	437062159	/nfs/dbraw/zinc/06/21/59/437062159.db2.gz	YIIPHYQBJDAQCX-NSHDSACASA-N	0	1	327.410	0.764	10	30		ECEEMN
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C#CCN1CCC(C(=O)N2CCCN(c3cccnn3)CC2)CC1	ZINC000105811395	436579858	/nfs/dbraw/zinc/57/98/58/436579858.db2.gz	LIHWJRYLLKUPFN-UHFFFAOYSA-N	0	1	327.432	0.861	10	30		ECEEMN
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Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173733610	437062500	/nfs/dbraw/zinc/06/25/00/437062500.db2.gz	VGELXTVDFGRPRT-ZDUSSCGKSA-N	0	1	333.373	0.747	10	30		ECEEMN
C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@H]1N1CCOCC1	ZINC000246315870	436777579	/nfs/dbraw/zinc/77/75/79/436777579.db2.gz	CUCZNUHKQIJPPR-HZPDHXFCSA-N	0	1	333.436	0.295	10	30		ECEEMN
CC(C)N1CCO[C@H](CN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1	ZINC000175584620	437108904	/nfs/dbraw/zinc/10/89/04/437108904.db2.gz	NAQGXXGEYJZDFD-MRXNPFEDSA-N	0	1	345.447	0.753	10	30		ECEEMN
C=CCNC(=O)NC(=O)CN1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000105884630	436585518	/nfs/dbraw/zinc/58/55/18/436585518.db2.gz	DYBMAGYDBUGZQS-CQSZACIVSA-N	0	1	334.424	0.619	10	30		ECEEMN
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COC(=O)c1ccc(S(=O)(=O)NCC#CCN2CCCC2)cc1	ZINC000075164732	608907506	/nfs/dbraw/zinc/90/75/06/608907506.db2.gz	TULFHPRMQOGYIN-UHFFFAOYSA-N	0	1	336.413	0.851	10	30		ECEEMN
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Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173734397	437061357	/nfs/dbraw/zinc/06/13/57/437061357.db2.gz	AJXDUJNMNASPHJ-CYBMUJFWSA-N	0	1	333.373	0.747	10	30		ECEEMN
CCc1nc([C@H]2CN(S(=O)(=O)CCCCC#N)CCO2)n[nH]1	ZINC000173737218	437061935	/nfs/dbraw/zinc/06/19/35/437061935.db2.gz	YIIPHYQBJDAQCX-LLVKDONJSA-N	0	1	327.410	0.764	10	30		ECEEMN
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Cn1ccnc(N2CCC[C@H](NC([O-])=[NH+]CCn3cccn3)C2)c1=O	ZINC000328629620	437242611	/nfs/dbraw/zinc/24/26/11/437242611.db2.gz	IKOAZWUBYXGSKA-ZDUSSCGKSA-N	0	1	345.407	0.149	10	30		ECEEMN
CC[C@H](O)CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118858383	221197918	/nfs/dbraw/zinc/19/79/18/221197918.db2.gz	GADWIOASCKPEJU-IRXDYDNUSA-N	0	1	333.432	0.686	10	30		ECEEMN
Cc1nc([C@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)n[nH]1	ZINC000123109204	222216928	/nfs/dbraw/zinc/21/69/28/222216928.db2.gz	RIROGKOQBCKPJV-GFCCVEGCSA-N	0	1	333.373	0.747	10	30		ECEEMN
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