smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1nncn1[NH+]=C1CCCCCCCCCCC1	ZINC000000296508	398341886	/nfs/dbraw/zinc/34/18/86/398341886.db2.gz	FAUYEEHEQFDREO-UHFFFAOYSA-N	1	0	248.374	3.787	40	30		BHEBRO
CCCCCCCCCC[N+](C)(C)CCCO	ZINC000001566369	342703481	/nfs/dbraw/zinc/70/34/81/342703481.db2.gz	LRQVUDRVYQMITN-UHFFFAOYSA-N	1	0	244.443	3.586	40	30		BHEBRO
CCN(/C=[NH+]/c1ccc(Cl)cc1C)CC	ZINC000001566709	169628716	/nfs/dbraw/zinc/62/87/16/169628716.db2.gz	MSMFCPKZVDJOPJ-NTEUORMPSA-N	1	0	224.735	3.650	40	30		BHEBRO
CC(C)(C)/[NH+]=C(\c1ccccc1)N1CCCCC1	ZINC000001572235	166516578	/nfs/dbraw/zinc/51/65/78/166516578.db2.gz	CXSVTPRAQZHTBT-BMRADRMJSA-N	1	0	244.382	3.718	40	30		BHEBRO
N#CCCC[n+]1cc2ccccc2c2ccccc21	ZINC000001578118	342704167	/nfs/dbraw/zinc/70/41/67/342704167.db2.gz	OYIBZMDYNGXMLU-UHFFFAOYSA-N	1	0	247.321	3.584	40	30		BHEBRO
CCCC/C=C1\CC[C@@H](C[NH+]2CCCCC2)C1=O	ZINC000001625818	342706187	/nfs/dbraw/zinc/70/61/87/342706187.db2.gz	XDSHLOYFEPHWBJ-NHXNDTTKSA-N	1	0	249.398	3.568	40	30		BHEBRO
CCCC/C=C1/CC[C@@H](C[NH+]2CCCCC2)C1=O	ZINC000001625819	342706253	/nfs/dbraw/zinc/70/62/53/342706253.db2.gz	XDSHLOYFEPHWBJ-OWTLUSIOSA-N	1	0	249.398	3.568	40	30		BHEBRO
CCCC/C=C1\CC[C@H](C[NH+]2CCCCC2)C1=O	ZINC000001625820	168588257	/nfs/dbraw/zinc/58/82/57/168588257.db2.gz	XDSHLOYFEPHWBJ-UJMHRVFCSA-N	1	0	249.398	3.568	40	30		BHEBRO
CCCC/C=C1/CC[C@H](C[NH+]2CCCCC2)C1=O	ZINC000001625821	342706343	/nfs/dbraw/zinc/70/63/43/342706343.db2.gz	XDSHLOYFEPHWBJ-CKNOQMABSA-N	1	0	249.398	3.568	40	30		BHEBRO
CN(C)/C=[NH+]/c1ccc2[nH]c3ccccc3c2c1	ZINC000001640651	172352773	/nfs/dbraw/zinc/35/27/73/172352773.db2.gz	OBDWDLLWFUKRAK-MHWRWJLKSA-N	1	0	237.306	3.543	40	30		BHEBRO
C=CC[NH2+]C1(Cc2ccccc2)CCCCC1	ZINC000001663949	166396708	/nfs/dbraw/zinc/39/67/08/166396708.db2.gz	ZJBPKERCIAYJRM-UHFFFAOYSA-N	1	0	229.367	3.708	40	30		BHEBRO
C=CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1	ZINC000001663951	386644719	/nfs/dbraw/zinc/64/47/19/386644719.db2.gz	VAGCQWXSDKUDEY-KRWDZBQOSA-N	1	0	237.346	3.746	40	30		BHEBRO
CCCCCCCCCCSC(N)=[NH2+]	ZINC000001666682	168650634	/nfs/dbraw/zinc/65/06/34/168650634.db2.gz	LRWNUFGVDBJUTF-UHFFFAOYSA-N	1	0	216.394	3.754	40	30		BHEBRO
C=CCOc1c(CCC)cc(C[NH3+])cc1CCC	ZINC000001670339	388586717	/nfs/dbraw/zinc/58/67/17/388586717.db2.gz	FRDCFDYDTRRPFV-UHFFFAOYSA-N	1	0	247.382	3.615	40	30		BHEBRO
CCCC[NH+](CCCC)CCCCC#N	ZINC000001681999	384433774	/nfs/dbraw/zinc/43/37/74/384433774.db2.gz	SFOJZVSLJASCIB-UHFFFAOYSA-N	1	0	210.365	3.582	40	30		BHEBRO
CCCC[NH+](CCCC)CCCCCC#N	ZINC000001682002	168807128	/nfs/dbraw/zinc/80/71/28/168807128.db2.gz	FTLWGWHQBQNKED-UHFFFAOYSA-N	1	0	224.392	3.973	40	30		BHEBRO
C#C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)C(C)C	ZINC000001687221	191943788	/nfs/dbraw/zinc/94/37/88/191943788.db2.gz	WYFQZULWUIYWHY-ZIAGYGMSSA-N	1	0	223.404	3.696	40	30		BHEBRO
C#C[C@H]([NH2+]CC[C@@H](C)CC(C)(C)C)C(C)C	ZINC000001687222	166219190	/nfs/dbraw/zinc/21/91/90/166219190.db2.gz	WYFQZULWUIYWHY-KGLIPLIRSA-N	1	0	223.404	3.696	40	30		BHEBRO
C#C[C@@H]([NH2+]CC[C@H](C)CC(C)(C)C)C(C)C	ZINC000001687223	347699611	/nfs/dbraw/zinc/69/96/11/347699611.db2.gz	WYFQZULWUIYWHY-UONOGXRCSA-N	1	0	223.404	3.696	40	30		BHEBRO
C#C[C@H]([NH2+]CC[C@H](C)CC(C)(C)C)C(C)C	ZINC000001687224	166219209	/nfs/dbraw/zinc/21/92/09/166219209.db2.gz	WYFQZULWUIYWHY-KBPBESRZSA-N	1	0	223.404	3.696	40	30		BHEBRO
CCCCCCCCC[n+]1cccc(C#N)c1	ZINC000001723783	342711296	/nfs/dbraw/zinc/71/12/96/342711296.db2.gz	ASKSJIBBRNAQBQ-UHFFFAOYSA-N	1	0	231.363	3.596	40	30		BHEBRO
CCCCCCCCCC[n+]1cccc(C#N)c1	ZINC000001723784	342711443	/nfs/dbraw/zinc/71/14/43/342711443.db2.gz	RGTIKEGHPKBJRX-UHFFFAOYSA-N	1	0	245.390	3.986	40	30		BHEBRO
CCCCCCCCCC[NH2+]CCS	ZINC000001736661	346470909	/nfs/dbraw/zinc/47/09/09/346470909.db2.gz	WOWHRXFAFVDNAP-UHFFFAOYSA-N	1	0	217.422	3.647	40	30		BHEBRO
CC(C)[C@@H](C#Cc1ccccc1)[NH+]1CCCCC1	ZINC000001737476	167340607	/nfs/dbraw/zinc/34/06/07/167340607.db2.gz	UNQIXYPRNUUZAD-QGZVFWFLSA-N	1	0	241.378	3.549	40	30		BHEBRO
C=C1CC[N+]2(CCCCCC)CCC[C@@H]12	ZINC000001752851	188225970	/nfs/dbraw/zinc/22/59/70/188225970.db2.gz	GYTLQKVSZMZTAW-MLCCFXAWSA-N	1	0	208.369	3.506	40	30		BHEBRO
C=C1CC[N+]2(CCCCCC)CCC[C@H]12	ZINC000001752853	191943503	/nfs/dbraw/zinc/94/35/03/191943503.db2.gz	GYTLQKVSZMZTAW-GICMACPYSA-N	1	0	208.369	3.506	40	30		BHEBRO
CCCCCCCCOc1ccc(C[NH3+])cc1	ZINC000002510049	371480807	/nfs/dbraw/zinc/48/08/07/371480807.db2.gz	WSDITBJWTUDXTP-UHFFFAOYSA-N	1	0	235.371	3.885	40	30		BHEBRO
CC[N+](/C=C/C(=O)c1ccc(C)cc1)(CC)CC	ZINC000003126045	371880943	/nfs/dbraw/zinc/88/09/43/371880943.db2.gz	SWYIQRZBRFAHMA-OUKQBFOZSA-N	1	0	246.374	3.568	40	30		BHEBRO
O=[N+](Cc1cccs1)c1ccc(Cl)cc1	ZINC000003265673	347550757	/nfs/dbraw/zinc/55/07/57/347550757.db2.gz	QUDLBMWNRBKHOO-MDWZMJQESA-N	1	0	237.711	3.662	40	30		BHEBRO
C=C(C)[C@H]1CC[C@@H](C)[NH2+][C@H]1c1ccccc1	ZINC000004028824	188157068	/nfs/dbraw/zinc/15/70/68/188157068.db2.gz	CKCFIDBXBOJKMO-YUELXQCFSA-N	1	0	215.340	3.692	40	30		BHEBRO
C=C(C)[C@H]1CC[C@H](C)[NH2+][C@H]1c1ccccc1	ZINC000004028825	346241339	/nfs/dbraw/zinc/24/13/39/346241339.db2.gz	CKCFIDBXBOJKMO-CFVMTHIKSA-N	1	0	215.340	3.692	40	30		BHEBRO
C=C(C)C[C@@H]1C=CC[C@H](CC(=C)C)[N+]1(C)C	ZINC000004599407	188332778	/nfs/dbraw/zinc/33/27/78/188332778.db2.gz	HEUZJFVZDYSCHY-LSDHHAIUSA-N	1	0	220.380	3.692	40	30		BHEBRO
C=C(C)C[C@@H]1C=CC[C@@H](CC(=C)C)[N+]1(C)C	ZINC000004599408	187811898	/nfs/dbraw/zinc/81/18/98/187811898.db2.gz	HEUZJFVZDYSCHY-GJZGRUSLSA-N	1	0	220.380	3.692	40	30		BHEBRO
C=C(C)C[C@H]1C=CC[C@@H](CC(=C)C)[N+]1(C)C	ZINC000004599409	188156658	/nfs/dbraw/zinc/15/66/58/188156658.db2.gz	HEUZJFVZDYSCHY-CABCVRRESA-N	1	0	220.380	3.692	40	30		BHEBRO
C/[S+]=c1\scc(-c2ccccc2)s1	ZINC000005003366	384093739	/nfs/dbraw/zinc/09/37/39/384093739.db2.gz	FWKGCNFWLXCQOE-UHFFFAOYSA-N	1	0	225.383	3.721	40	30		BHEBRO
CC[NH2+]C(C)(C)[C@H](S)c1ccc(Cl)s1	ZINC000005007946	170107858	/nfs/dbraw/zinc/10/78/58/170107858.db2.gz	WPEHCWWPUMKMHI-SECBINFHSA-N	1	0	249.832	3.761	40	30		BHEBRO
C=C(C)[C@@H]1CC=C(/C=C/c2cc[n+](C)cc2)CC1	ZINC000005017020	188157846	/nfs/dbraw/zinc/15/78/46/188157846.db2.gz	MCSSINZCTZXMPE-LAQIPUCWSA-N	1	0	240.370	3.827	40	30		BHEBRO
C=CCCCCCCCCCSC(N)=[NH2+]	ZINC000005193284	346612208	/nfs/dbraw/zinc/61/22/08/346612208.db2.gz	OEXJBTRYLHGHNY-UHFFFAOYSA-N	1	0	228.405	3.920	40	30		BHEBRO
C=CCCC/C=C/C[NH+]1CCCCCC1	ZINC000005377212	355357003	/nfs/dbraw/zinc/35/70/03/355357003.db2.gz	GQNBVXIYWGANKK-RMKNXTFCSA-N	1	0	207.361	3.775	40	30		BHEBRO
Cc1cc(-c2ccc(N(C)C)cc2)cc(C)[s+]1	ZINC000005389800	168090663	/nfs/dbraw/zinc/09/06/63/168090663.db2.gz	MODIDALVOOUPNV-UHFFFAOYSA-N	1	0	244.383	3.677	40	30		BHEBRO
C[N+](C)(C)/N=C(/c1ccccc1)C1CCCCC1	ZINC000005411995	384114490	/nfs/dbraw/zinc/11/44/90/384114490.db2.gz	AFYFRKOPPJZLII-MSUUIHNZSA-N	1	0	245.390	3.677	40	30		BHEBRO
CC=C(C)C(=[NH2+])Nc1ccc(Cl)c(Cl)c1	ZINC000005412695	342763352	/nfs/dbraw/zinc/76/33/52/342763352.db2.gz	CEPZRGMGLKSKKE-CLTKARDFSA-N	1	0	243.137	3.948	40	30		BHEBRO
c1ccc(C(=[S+]C2CC2)c2ccccc2)cc1	ZINC000005602287	183387513	/nfs/dbraw/zinc/38/75/13/183387513.db2.gz	VCAXZTKAKFVKBJ-UHFFFAOYSA-N	1	0	239.363	3.500	40	30		BHEBRO
CC(C)/C(NC(C)(C)C)=[NH+]\C1CCCCC1	ZINC000005648915	188277770	/nfs/dbraw/zinc/27/77/70/188277770.db2.gz	YQAMVSBXFIQONW-UHFFFAOYSA-N	1	0	224.392	3.762	40	30		BHEBRO
CC(C)[C@H](C#Cc1ccccc1)[NH+]1CCCCC1	ZINC000005733312	188052260	/nfs/dbraw/zinc/05/22/60/188052260.db2.gz	UNQIXYPRNUUZAD-KRWDZBQOSA-N	1	0	241.378	3.549	40	30		BHEBRO
C=CC[NH2+][C@H](Cc1ccccc1)c1ccccc1	ZINC000005852526	384133411	/nfs/dbraw/zinc/13/34/11/384133411.db2.gz	VAGCQWXSDKUDEY-QGZVFWFLSA-N	1	0	237.346	3.746	40	30		BHEBRO
CC[NH2+]C(C)(C)[C@@H](S)c1ccc(Cl)s1	ZINC000005887660	170107886	/nfs/dbraw/zinc/10/78/86/170107886.db2.gz	WPEHCWWPUMKMHI-VIFPVBQESA-N	1	0	249.832	3.761	40	30		BHEBRO
C=CC[NH+](CC=C)Cc1ccc(Cl)cc1	ZINC000006562604	368314076	/nfs/dbraw/zinc/31/40/76/368314076.db2.gz	FFGCOLWUJGLOOH-UHFFFAOYSA-N	1	0	221.731	3.514	40	30		BHEBRO
CC(C)(C)CC(C)(C)[NH2+]CC#Cc1ccccc1	ZINC000006857327	346656167	/nfs/dbraw/zinc/65/61/67/346656167.db2.gz	CPRSHNYHKWGQJI-UHFFFAOYSA-N	1	0	243.394	3.843	40	30		BHEBRO
C(#Cc1ccccc1)C[NH2+]C1CCCCCCC1	ZINC000007523429	136332762	/nfs/dbraw/zinc/33/27/62/136332762.db2.gz	YIPONICZAYOZJR-UHFFFAOYSA-N	1	0	241.378	3.741	40	30		BHEBRO
C/[S+]=c1/cc(-c2ccccc2)ss1	ZINC000012417382	342851855	/nfs/dbraw/zinc/85/18/55/342851855.db2.gz	WPVQVGCDVIUSGM-UHFFFAOYSA-N	1	0	225.383	3.721	40	30		BHEBRO
CCCC[C@@](C=O)(CC)C[NH+]1CCC(C)CC1	ZINC000015442231	342896435	/nfs/dbraw/zinc/89/64/35/342896435.db2.gz	UQBWIPUTEFXFQN-HNNXBMFYSA-N	1	0	239.403	3.504	40	30		BHEBRO
CCCC[C@](C=O)(CC)C[NH+]1CCC(C)CC1	ZINC000015442233	169015047	/nfs/dbraw/zinc/01/50/47/169015047.db2.gz	UQBWIPUTEFXFQN-OAHLLOKOSA-N	1	0	239.403	3.504	40	30		BHEBRO
C[n+]1c2ccccc2c(N=[N+]=[N-])c2ccccc21	ZINC000016998163	384476268	/nfs/dbraw/zinc/47/62/68/384476268.db2.gz	RYPKIJFKVRCSKN-UHFFFAOYSA-N	1	0	235.270	3.759	40	30		BHEBRO
C[N+](C)(C)/N=C(\c1ccccc1)C1CCCCC1	ZINC000017060783	177486825	/nfs/dbraw/zinc/48/68/25/177486825.db2.gz	AFYFRKOPPJZLII-WUKNDPDISA-N	1	0	245.390	3.677	40	30		BHEBRO
CC(Nc1ccc(Cl)cc1C)=[NH+]C(C)C	ZINC000017122803	188107273	/nfs/dbraw/zinc/10/72/73/188107273.db2.gz	JMOXQUXFPDYKHH-UHFFFAOYSA-N	1	0	224.735	3.696	40	30		BHEBRO
CC(C)N/C(=[NH+]/c1ccccc1)c1ccccc1	ZINC000017122832	342920853	/nfs/dbraw/zinc/92/08/53/342920853.db2.gz	LDYZZPPUPWZFOE-UHFFFAOYSA-N	1	0	238.334	3.763	40	30		BHEBRO
C=C/C(NC(C)(C)C)=[NH+]\c1ccccc1C	ZINC000017122926	187311785	/nfs/dbraw/zinc/31/17/85/187311785.db2.gz	KSIIIWVBBOXZMO-UHFFFAOYSA-N	1	0	216.328	3.599	40	30		BHEBRO
C=C/C(NC(C)(C)C)=[NH+]\c1ccc(Cl)cc1	ZINC000017123000	188280676	/nfs/dbraw/zinc/28/06/76/188280676.db2.gz	TUOJWCKEXPGCGP-UHFFFAOYSA-N	1	0	236.746	3.944	40	30		BHEBRO
C/[NH+]=C(/C)c1cc(C)c(C)c2ccccc12	ZINC000017428173	342924847	/nfs/dbraw/zinc/92/48/47/342924847.db2.gz	OUDXWEBJRYOOMB-VBKFSLOCSA-N	1	0	211.308	3.895	40	30		BHEBRO
CN(C)/C=[NH+]/c1c2ccccc2nc2ccccc21	ZINC000018143940	172352230	/nfs/dbraw/zinc/35/22/30/172352230.db2.gz	YXOSAKBHMGRAAV-GZTJUZNOSA-N	1	0	249.317	3.609	40	30		BHEBRO
C=CC[NH2+]Cc1cccc(Oc2ccccc2)c1	ZINC000019875727	347517641	/nfs/dbraw/zinc/51/76/41/347517641.db2.gz	MRKKRMCHRVRVJF-UHFFFAOYSA-N	1	0	239.318	3.755	40	30		BHEBRO
CCN(CC)/C(=[NH+]\C(C)(C)C)c1ccccc1	ZINC000031768783	169743922	/nfs/dbraw/zinc/74/39/22/169743922.db2.gz	JEQSPUTVPPBMLA-PEZBUJJGSA-N	1	0	232.371	3.574	40	30		BHEBRO
O=[P+](Oc1ccccc1)Oc1ccccc1	ZINC000038322175	343373726	/nfs/dbraw/zinc/37/37/26/343373726.db2.gz	CDXVUROVRIFQMV-UHFFFAOYSA-N	1	0	233.183	3.802	40	30		BHEBRO
CC(C)(C#N)CCCCCCCCC[NH3+]	ZINC000044137420	518508376	/nfs/dbraw/zinc/50/83/76/518508376.db2.gz	HEWYMKLTPLCYQF-UHFFFAOYSA-N	1	0	210.365	3.616	40	30		BHEBRO
CCCCCCCCCCC[NH+]1CCOCC1	ZINC000059200547	520015636	/nfs/dbraw/zinc/01/56/36/520015636.db2.gz	LIQBMPCOZRQPQX-UHFFFAOYSA-N	1	0	241.419	3.849	40	30		BHEBRO
CCCCCCCCCC[NH2+]C(C)(C)/C=N/O	ZINC000059608743	385052323	/nfs/dbraw/zinc/05/23/23/385052323.db2.gz	RJTHHRUSTKZAHO-DTQAZKPQSA-N	1	0	242.407	3.955	40	30		BHEBRO
C[S@@+](c1ccccc1)c1ccc(C=S)cc1	ZINC000064220331	205470784	/nfs/dbraw/zinc/47/07/84/205470784.db2.gz	HLZUPTQVOQOCNI-MRXNPFEDSA-N	1	0	245.392	3.701	40	30		BHEBRO
C[S@+](c1ccccc1)c1ccc(C=S)cc1	ZINC000064220332	385250244	/nfs/dbraw/zinc/25/02/44/385250244.db2.gz	HLZUPTQVOQOCNI-INIZCTEOSA-N	1	0	245.392	3.701	40	30		BHEBRO
CC[P+]1(c2ccccc2)[C@@H](C)CC[C@@H]1C	ZINC000073386121	384252455	/nfs/dbraw/zinc/25/24/55/384252455.db2.gz	OAJGKTZVDDAELQ-STQMWFEESA-N	1	0	221.304	3.920	40	30		BHEBRO
C#C[C@H]([NH3+])c1c2ccccc2cc2ccccc21	ZINC000085399483	166218841	/nfs/dbraw/zinc/21/88/41/166218841.db2.gz	OXMBCZXDROOKJZ-INIZCTEOSA-N	1	0	231.298	3.626	40	30		BHEBRO
C#C[C@@H]([NH3+])c1c2ccccc2cc2ccccc21	ZINC000085399485	166212514	/nfs/dbraw/zinc/21/25/14/166212514.db2.gz	OXMBCZXDROOKJZ-MRXNPFEDSA-N	1	0	231.298	3.626	40	30		BHEBRO
CCCCCCCCCCCC[C@H](O)C[NH3+]	ZINC000100235939	384625577	/nfs/dbraw/zinc/62/55/77/384625577.db2.gz	HKGKYUVCADNOOC-AWEZNQCLSA-N	1	0	229.408	3.617	40	30		BHEBRO
CCCCCCCCCCCC[C@@H](O)C[NH3+]	ZINC000100235942	187458551	/nfs/dbraw/zinc/45/85/51/187458551.db2.gz	HKGKYUVCADNOOC-CQSZACIVSA-N	1	0	229.408	3.617	40	30		BHEBRO
CCCCCCCCCCCC[C@H]([NH3+])CO	ZINC000100924900	384658145	/nfs/dbraw/zinc/65/81/45/384658145.db2.gz	FXOSSJKGHKYGAB-AWEZNQCLSA-N	1	0	229.408	3.617	40	30		BHEBRO
CCCCCCCCCCCC[C@@H]([NH3+])CO	ZINC000100924901	188150067	/nfs/dbraw/zinc/15/00/67/188150067.db2.gz	FXOSSJKGHKYGAB-CQSZACIVSA-N	1	0	229.408	3.617	40	30		BHEBRO
CCCCCCCCCCC[N@H+](C)CCCO	ZINC000100933136	384658044	/nfs/dbraw/zinc/65/80/44/384658044.db2.gz	FLOHRCAUJOVPBC-UHFFFAOYSA-N	1	0	243.435	3.831	40	30		BHEBRO
CCCCCCCCCC(=O)CC[NH+](C)C	ZINC000100933440	384363450	/nfs/dbraw/zinc/36/34/50/384363450.db2.gz	VALJUXLBNMAJDB-UHFFFAOYSA-N	1	0	227.392	3.648	40	30		BHEBRO
CN(C)/C=[NH+]\c1c2ccccc2nc2ccccc21	ZINC000101180498	172352760	/nfs/dbraw/zinc/35/27/60/172352760.db2.gz	YXOSAKBHMGRAAV-BOPFTXTBSA-N	1	0	249.317	3.609	40	30		BHEBRO
C/[NH+]=C(\C)c1cc(C)c(C)c2ccccc12	ZINC000104092829	384797573	/nfs/dbraw/zinc/79/75/73/384797573.db2.gz	OUDXWEBJRYOOMB-FOWTUZBSSA-N	1	0	211.308	3.895	40	30		BHEBRO
O=[N+](Cc1ccccc1)c1ccc(Cl)cc1	ZINC000104104327	187291554	/nfs/dbraw/zinc/29/15/54/187291554.db2.gz	SQFOKZCBFNORNB-UHFFFAOYSA-N	1	0	231.682	3.601	40	30		BHEBRO
O=[N+](C=CCc1ccccc1)c1ccccc1	ZINC000104137005	187631963	/nfs/dbraw/zinc/63/19/63/187631963.db2.gz	DGGUHHKIBNARMK-PMPMWQPSSA-N	1	0	223.275	3.613	40	30		BHEBRO
O=[N+](C=CCc1ccccc1)c1ccccc1	ZINC000104137009	187292280	/nfs/dbraw/zinc/29/22/80/187292280.db2.gz	DGGUHHKIBNARMK-DOSQDUBCSA-N	1	0	223.275	3.613	40	30		BHEBRO
CCN(/C=[NH+]\c1ccc(Cl)cc1C)CC	ZINC000104200218	169629136	/nfs/dbraw/zinc/62/91/36/169629136.db2.gz	MSMFCPKZVDJOPJ-ZROIWOOFSA-N	1	0	224.735	3.650	40	30		BHEBRO
CCN(CC)/C(=[NH+]/C(C)(C)C)c1ccccc1	ZINC000104210268	384814062	/nfs/dbraw/zinc/81/40/62/384814062.db2.gz	JEQSPUTVPPBMLA-JQIJEIRASA-N	1	0	232.371	3.574	40	30		BHEBRO
CC(C)(C)/[NH+]=C(/c1ccccc1)N1CCCCC1	ZINC000104210275	384813949	/nfs/dbraw/zinc/81/39/49/384813949.db2.gz	CXSVTPRAQZHTBT-ICFOKQHNSA-N	1	0	244.382	3.718	40	30		BHEBRO
CCN(CC)/C(Cc1ccccc1)=[NH+]\C(C)(C)C	ZINC000104210626	384812814	/nfs/dbraw/zinc/81/28/14/384812814.db2.gz	OMVZWKLHBQWTOV-ICFOKQHNSA-N	1	0	246.398	3.768	40	30		BHEBRO
CCN(CC)/C(Cc1ccccc1)=[NH+]/C(C)(C)C	ZINC000104210631	384813179	/nfs/dbraw/zinc/81/31/79/384813179.db2.gz	OMVZWKLHBQWTOV-BMRADRMJSA-N	1	0	246.398	3.768	40	30		BHEBRO
C[C@@H]1CC[P@@+](C)(Cc2ccccc2)C1	ZINC000104272503	176238687	/nfs/dbraw/zinc/23/86/87/176238687.db2.gz	MAZRHLSJOVXBDG-TZMCWYRMSA-N	1	0	207.277	3.874	40	30		BHEBRO
C[C@H]1CC[P@@+](C)(Cc2ccccc2)C1	ZINC000104272508	177208411	/nfs/dbraw/zinc/20/84/11/177208411.db2.gz	MAZRHLSJOVXBDG-GXTWGEPZSA-N	1	0	207.277	3.874	40	30		BHEBRO
C[C@@H]1CC[P@+](C)(Cc2ccccc2)C1	ZINC000104272515	176237986	/nfs/dbraw/zinc/23/79/86/176237986.db2.gz	MAZRHLSJOVXBDG-OCCSQVGLSA-N	1	0	207.277	3.874	40	30		BHEBRO
C[C@H]1CC[P@+](C)(Cc2ccccc2)C1	ZINC000104272518	177208374	/nfs/dbraw/zinc/20/83/74/177208374.db2.gz	MAZRHLSJOVXBDG-JSGCOSHPSA-N	1	0	207.277	3.874	40	30		BHEBRO
CN(C)/C=[NH+]\c1ccc2[nH]c3ccccc3c2c1	ZINC000104307457	172351891	/nfs/dbraw/zinc/35/18/91/172351891.db2.gz	OBDWDLLWFUKRAK-YBEGLDIGSA-N	1	0	237.306	3.543	40	30		BHEBRO
CC[P@+]1(c2ccccc2)[C@H](C)CC[C@@H]1C	ZINC000104314285	384820964	/nfs/dbraw/zinc/82/09/64/384820964.db2.gz	OAJGKTZVDDAELQ-NNQSOWQGSA-N	1	0	221.304	3.920	40	30		BHEBRO
CC[P+]1(c2ccccc2)[C@H](C)CC[C@H]1C	ZINC000104314291	384820602	/nfs/dbraw/zinc/82/06/02/384820602.db2.gz	OAJGKTZVDDAELQ-CHWSQXEVSA-N	1	0	221.304	3.920	40	30		BHEBRO
CCCCCCC[NH2+]CC#Cc1ccccc1	ZINC000105250654	136215150	/nfs/dbraw/zinc/21/51/50/136215150.db2.gz	FUDGJFUWWBHWHD-UHFFFAOYSA-N	1	0	229.367	3.598	40	30		BHEBRO
CCCCCCCC[NH2+]CC#Cc1ccccc1	ZINC000105342715	385041784	/nfs/dbraw/zinc/04/17/84/385041784.db2.gz	GTYZKNHQLWYIBE-UHFFFAOYSA-N	1	0	243.394	3.988	40	30		BHEBRO
CC(C)[Si](CCCC#N)(C(C)C)[NH+](C)C	ZINC000198027347	535311627	/nfs/dbraw/zinc/31/16/27/535311627.db2.gz	ZMWNPLZNYQLBOE-UHFFFAOYSA-N	1	0	226.440	3.617	40	30		BHEBRO
C=CCCCC[NH2+][C@@H](C)c1ccccc1	ZINC000199531947	398263701	/nfs/dbraw/zinc/26/37/01/398263701.db2.gz	UMUQFFFTUZWKQI-ZDUSSCGKSA-N	1	0	203.329	3.694	40	30		BHEBRO
C=CCCCC[NH2+][C@H](C)c1ccccc1	ZINC000199531959	398264000	/nfs/dbraw/zinc/26/40/00/398264000.db2.gz	UMUQFFFTUZWKQI-CYBMUJFWSA-N	1	0	203.329	3.694	40	30		BHEBRO
CCCCCCC[NH2+]Cc1ccnn1C(C)C	ZINC000256052938	520056738	/nfs/dbraw/zinc/05/67/38/520056738.db2.gz	PGJFRBWBZFISGO-UHFFFAOYSA-N	1	0	237.391	3.524	40	30		BHEBRO
CCCCCCC[NH2+]Cc1cnn(C(C)C)c1	ZINC000256053842	520057349	/nfs/dbraw/zinc/05/73/49/520057349.db2.gz	TWMBEATXYFEHGT-UHFFFAOYSA-N	1	0	237.391	3.524	40	30		BHEBRO
C(=[NH+]\C1CCCCC1)\c1ccc(N2CCCC2)o1	ZINC000408847633	385339313	/nfs/dbraw/zinc/33/93/13/385339313.db2.gz	NWITVOVCAAMYCI-VBKFSLOCSA-N	1	0	246.354	3.631	40	30		BHEBRO