smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1Br)CC[N@H+](CCCC[NH+](C)C)C[C@@H]2c1ccccc1	ZINC000013743892	563003675	/nfs/dbraw/zinc/00/36/75/563003675.db2.gz	HXQUNKIFYHBJDP-OAQYLSRUSA-N	2	0	431.418	4.790	1	0		IJAFRP
CC(C)C[NH+](CCCN1CC[NH+](CCCNc2cc[nH+]c3ccccc23)CC1)CC(C)C	ZINC000027212453	563041083	/nfs/dbraw/zinc/04/10/83/563041083.db2.gz	FDBZPYUMWJSWJE-UHFFFAOYSA-N	3	0	439.692	4.659	1	0		IJAFRP
C[NH+]1CCN(c2ccc(-c3cc(NCCCC[NH+]4CCCC4)c4ccccc4[nH+]3)cc2)CC1	ZINC000028247811	563052215	/nfs/dbraw/zinc/05/22/15/563052215.db2.gz	KUVVWDBCEHHCAU-UHFFFAOYSA-N	3	0	443.639	4.942	1	0		IJAFRP
COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(F)(F)CC4)ccc32)cc1	ZINC000028818033	563064897	/nfs/dbraw/zinc/06/48/97/563064897.db2.gz	BSDHAHZVUCTDKG-DEOSSOPVSA-N	2	0	430.539	4.773	1	0		IJAFRP
C[NH2+]Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1	ZINC000029129266	563075355	/nfs/dbraw/zinc/07/53/55/563075355.db2.gz	HASNZFFRDSPBMJ-UHFFFAOYSA-N	2	0	439.625	4.539	1	0		IJAFRP
CC(C)[NH+](CCCCCN1c2ccccc2O[C@@H](c2cccc(C(N)=[NH2+])c2)C1=O)C(C)C	ZINC000013834519	563012052	/nfs/dbraw/zinc/01/20/52/563012052.db2.gz	IMYQMGQWJNWTLF-DEOSSOPVSA-N	2	0	436.600	4.726	1	0		IJAFRP
[NH3+][C@@H](CCCC[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)N1Cc2ccccc2C1	ZINC000045497382	563134542	/nfs/dbraw/zinc/13/45/42/563134542.db2.gz	LYXYQRZGJCPPNZ-MHZLTWQESA-N	2	0	427.592	4.729	1	0		IJAFRP
C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@@H](O)C[NH2+]C(C)(C)C)ccc4[C@H]3CC[C@@]21C	ZINC000066263361	563160920	/nfs/dbraw/zinc/16/09/20/563160920.db2.gz	RSOVNZKHWXPMSD-FCJCMXMISA-N	2	0	428.661	4.601	1	0		IJAFRP
NC(=[NH2+])c1ccc(-n2ccc3ccc(NCc4ccc5ccc(C(N)=[NH2+])cc5c4)cc32)cc1	ZINC000028014942	563049888	/nfs/dbraw/zinc/04/98/88/563049888.db2.gz	XYIGOFSKMMTCTC-UHFFFAOYSA-N	2	0	432.531	4.964	1	0		IJAFRP
[NH3+]CCCCCCC[NH2+]Cc1c2c(nc3ccccc31)-c1cc3ccccc3c(=O)n1C2	ZINC000045392115	563134189	/nfs/dbraw/zinc/13/41/89/563134189.db2.gz	LLBSDAZPGDEVAK-UHFFFAOYSA-N	2	0	426.564	4.577	1	0		IJAFRP
NC(=[NH2+])c1ccc2nc(-c3ccccc3-c3nc4ccc(C(N)=[NH2+])cc4s3)sc2c1	ZINC000096909282	563197703	/nfs/dbraw/zinc/19/77/03/563197703.db2.gz	QHMWLIQSMVDSKO-UHFFFAOYSA-N	2	0	428.546	4.808	1	0		IJAFRP
CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCN1CCN(c2ccnc3cc(Cl)ccc32)CC1	ZINC000026661224	563035001	/nfs/dbraw/zinc/03/50/01/563035001.db2.gz	JQHRWRIOBSOZIY-OAQYLSRUSA-N	2	0	446.083	4.500	1	0		IJAFRP
CC(C)[NH+](CCC(CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccc(F)cc1F)C(C)C	ZINC000040639903	563105732	/nfs/dbraw/zinc/10/57/32/563105732.db2.gz	KHJMNAUQUZHFKV-UHFFFAOYSA-N	2	0	425.608	4.706	1	0		IJAFRP
CCCC[C@H](C[NH2+]Cc1ccccc1)N1CC[N@H+](CC(C)C)[C@H](Cc2ccc(O)cc2)C1	ZINC000045287027	563128410	/nfs/dbraw/zinc/12/84/10/563128410.db2.gz	RMCKEXDLSBTPAH-KAYWLYCHSA-N	2	0	437.672	4.926	1	0		IJAFRP
CN(CCCC[N@H+](C)CCCC[NH+]1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1	ZINC000006010399	562945781	/nfs/dbraw/zinc/94/57/81/562945781.db2.gz	ASLPMKYZXMBXKC-UHFFFAOYSA-N	2	0	428.448	4.582	1	0		IJAFRP
C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000013765978	563005586	/nfs/dbraw/zinc/00/55/86/563005586.db2.gz	ARJKYPLGKHVBPE-UHFFFAOYSA-N	2	0	442.611	4.525	1	0		IJAFRP
CSc1cc(-c2ccc(-c3ccc(NC(N)=[NH2+])c(SC)c3)o2)ccc1NC(N)=[NH2+]	ZINC000026179915	563029635	/nfs/dbraw/zinc/02/96/35/563029635.db2.gz	MQCOZRDUWYPMMH-UHFFFAOYSA-N	2	0	426.571	4.668	1	0		IJAFRP
COc1c(C(=[NH2+])NC(C)C)cccc1-c1cc(-c2cccc(C(=[NH2+])NC(C)C)c2OC)on1	ZINC000028644398	563060579	/nfs/dbraw/zinc/06/05/79/563060579.db2.gz	WDHGPQJWHZGPBN-UHFFFAOYSA-N	2	0	449.555	4.673	1	0		IJAFRP
C[NH+](C)CCCNc1nc(NCCC2=CCCCC2)nc(NCCC2=CCCCC2)[nH+]1	ZINC000073200510	563170339	/nfs/dbraw/zinc/17/03/39/563170339.db2.gz	DGJGVBXSAKSZDP-UHFFFAOYSA-N	2	0	427.641	4.840	1	0		IJAFRP
COc1ccc([C@@H](C[NH2+]CCc2ccc(C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000028523902	563056376	/nfs/dbraw/zinc/05/63/76/563056376.db2.gz	ZZMPTQZANQVWEF-MUUNZHRXSA-N	2	0	435.656	4.827	1	0		IJAFRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1c2ccccc2N(C(=O)c2ccc(C)cc2)[C@@H](C)[C@@H]1O	ZINC000013652393	562999323	/nfs/dbraw/zinc/99/93/23/562999323.db2.gz	WYUVQUNKLDFJFC-KCXKOMAXSA-N	2	0	437.628	4.546	1	0		IJAFRP
NC(=[NH2+])Nc1ccc(C(=O)c2ccc(NC(=O)CCCCCCCCCC[NH3+])cc2)cc1	ZINC000095596999	563191672	/nfs/dbraw/zinc/19/16/72/563191672.db2.gz	LGRHQDNTYMRQKF-UHFFFAOYSA-N	2	0	437.588	4.631	1	0		IJAFRP
O=C(NCC[NH+]1CCCCC1)Nc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1	ZINC000013475733	562989002	/nfs/dbraw/zinc/98/90/02/562989002.db2.gz	VGQGKHAETPMUNJ-UHFFFAOYSA-N	2	0	434.628	4.749	1	0		IJAFRP
COc1cc2c(cc1NCC[NH+](C)C)nc(Nc1c(C)cccc1Cl)c1c[nH+]c(C)n12	ZINC000026843743	563037617	/nfs/dbraw/zinc/03/76/17/563037617.db2.gz	RLWBKJAKBDHDLB-UHFFFAOYSA-N	2	0	438.963	4.878	1	0		IJAFRP
C[N@@H+]1CCC[C@H]1CCNc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)[nH+]c2ccccc12	ZINC000028240095	563052139	/nfs/dbraw/zinc/05/21/39/563052139.db2.gz	DJGHRRCZAKYAFO-QFIPXVFZSA-N	3	0	429.612	4.550	1	0		IJAFRP
O=C(NC[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCCCC3)CC2)C1)c1ccc2ncccc2c1	ZINC000028472194	563055578	/nfs/dbraw/zinc/05/55/78/563055578.db2.gz	JWJCLXLJNHPBMJ-HSZRJFAPSA-N	2	0	448.655	4.721	1	0		IJAFRP
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1	ZINC000028895233	563068732	/nfs/dbraw/zinc/06/87/32/563068732.db2.gz	YNBDRJOERIPZSR-MHZLTWQESA-N	2	0	427.592	4.585	1	0		IJAFRP
CC[NH+](CC)C[C@H]1CCCN(Cc2ccc(CN3CCC[C@H](C[NH+](CC)CC)C3)cc2)C1	ZINC000040700865	563105878	/nfs/dbraw/zinc/10/58/78/563105878.db2.gz	HNMZRDVOOXKDAF-VSGBNLITSA-N	2	0	442.736	4.794	1	0		IJAFRP
C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C(N)=[NH2+])c2)C1=O	ZINC000002022545	562925600	/nfs/dbraw/zinc/92/56/00/562925600.db2.gz	OQIVOCNUKJDXKR-OHUGHZGNSA-N	2	0	448.611	4.871	1	0		IJAFRP
C[NH+](C)CCN1CC[NH+](Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)CC1	ZINC000045201262	563124750	/nfs/dbraw/zinc/12/47/50/563124750.db2.gz	DXCSXGRYFBRTCB-UHFFFAOYSA-N	2	0	445.636	4.638	1	0		IJAFRP
COc1cc(C[NH2+]CCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc2c1OCO2	ZINC000066252422	563160206	/nfs/dbraw/zinc/16/02/06/563160206.db2.gz	BBNKADDZFBAJIC-UHFFFAOYSA-N	2	0	433.552	4.833	1	0		IJAFRP
[NH3+]CCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CC[NH3+])c4c3)cc12	ZINC000003919049	562939305	/nfs/dbraw/zinc/93/93/05/562939305.db2.gz	KKDGSWZZEGKXRP-UHFFFAOYSA-N	2	0	434.584	4.670	1	0		IJAFRP
C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@@H](c2cccc(C(N)=[NH2+])c2)C1=O	ZINC000003981732	562940349	/nfs/dbraw/zinc/94/03/49/562940349.db2.gz	OQIVOCNUKJDXKR-DFIYOIEZSA-N	2	0	448.611	4.871	1	0		IJAFRP
CCCCCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CC1	ZINC000011422405	562978774	/nfs/dbraw/zinc/97/87/74/562978774.db2.gz	DZVZIRACKZBQCA-QFIPXVFZSA-N	2	0	437.628	4.943	1	0		IJAFRP
Oc1ccc([C@@H]2[NH+]=CN[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2Cl)c(Cl)c1	ZINC000013607934	562997628	/nfs/dbraw/zinc/99/76/28/562997628.db2.gz	JLVDPPIAEWJQPN-FCHUYYIVSA-N	2	0	434.367	4.978	1	0		IJAFRP
CC[NH+](CC)C[C@@H]1CCCN(Cc2ccc(CN3CCC[C@@H](C[NH+](CC)CC)C3)cc2)C1	ZINC000013726229	563001417	/nfs/dbraw/zinc/00/14/17/563001417.db2.gz	HNMZRDVOOXKDAF-NSOVKSMOSA-N	2	0	442.736	4.794	1	0		IJAFRP
C[C@@H]([NH2+]C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1	ZINC000027556868	563043845	/nfs/dbraw/zinc/04/38/45/563043845.db2.gz	WPIPAMGQNVWVQW-LJQANCHMSA-N	2	0	446.574	4.636	1	0		IJAFRP
COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(F)(F)CC4)ccc32)cc1	ZINC000028818035	563064815	/nfs/dbraw/zinc/06/48/15/563064815.db2.gz	BSDHAHZVUCTDKG-XMMPIXPASA-N	2	0	430.539	4.773	1	0		IJAFRP
NC(=[NH2+])c1ccc2nc(-c3ccc(-c4nc5ccc(C(N)=[NH2+])cc5s4)cc3)sc2c1	ZINC000096909280	563197718	/nfs/dbraw/zinc/19/77/18/563197718.db2.gz	VTQIOVYNCOWCDV-UHFFFAOYSA-N	2	0	428.546	4.808	1	0		IJAFRP
C[NH2+]Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1Oc1ccccc1C(F)(F)F	ZINC000029129948	563075495	/nfs/dbraw/zinc/07/54/95/563075495.db2.gz	BPYJWNTUBNVSJN-UHFFFAOYSA-N	2	0	447.501	4.527	1	0		IJAFRP
C[NH2+]Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1	ZINC000029129938	563075507	/nfs/dbraw/zinc/07/55/07/563075507.db2.gz	DMKNBJGZUPGVEW-UHFFFAOYSA-N	2	0	447.501	4.527	1	0		IJAFRP
[NH3+][C@@H](CC[NH2+]C1CCN(c2cccc(C(F)(F)F)c2)CC1)Cc1ccc(F)c(F)c1	ZINC000045194797	563124312	/nfs/dbraw/zinc/12/43/12/563124312.db2.gz	PFFOUEBCRBNKLF-KRWDZBQOSA-N	2	0	427.461	4.502	1	0		IJAFRP
O=C(NC[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCCCC3)CC2)C1)c1ccc2ncccc2c1	ZINC000028472191	563055536	/nfs/dbraw/zinc/05/55/36/563055536.db2.gz	JWJCLXLJNHPBMJ-QHCPKHFHSA-N	2	0	448.655	4.721	1	0		IJAFRP
COCC[NH2+]Cc1ccc(-c2ccccc2C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1	ZINC000045323935	563130775	/nfs/dbraw/zinc/13/07/75/563130775.db2.gz	XVKKFKSBTFNFJN-UHFFFAOYSA-N	3	0	443.635	4.844	1	0		IJAFRP
CC[NH+](CC)C[C@@H]1CCCN(Cc2ccc(CN3CCC[C@H](C[NH+](CC)CC)C3)cc2)C1	ZINC000013726233	563001364	/nfs/dbraw/zinc/00/13/64/563001364.db2.gz	HNMZRDVOOXKDAF-HNRBIFIRSA-N	2	0	442.736	4.794	1	0		IJAFRP
Clc1ccc(C[NH+]2CCC(C[NH2+]Cc3cccc(-n4cccn4)n3)CC2)cc1Cl	ZINC000013782320	563006806	/nfs/dbraw/zinc/00/68/06/563006806.db2.gz	WTGWAXARHGKSDU-UHFFFAOYSA-N	2	0	430.383	4.576	1	0		IJAFRP
C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1	ZINC000013859941	563012430	/nfs/dbraw/zinc/01/24/30/563012430.db2.gz	CWGSBSDVENZCNI-NSOVKSMOSA-N	4	0	436.688	4.836	1	0		IJAFRP
c1cc(CNCCC[NH2+]CCCCCCC[NH2+]CCCNCc2ccsc2)cs1	ZINC000027648149	563045152	/nfs/dbraw/zinc/04/51/52/563045152.db2.gz	JXJKBKPUXGTMFD-UHFFFAOYSA-N	2	0	436.735	4.599	1	0		IJAFRP
CCOc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1	ZINC000028893005	563068624	/nfs/dbraw/zinc/06/86/24/563068624.db2.gz	IUSJINNBGHLFTG-SANMLTNESA-N	2	0	426.576	4.865	1	0		IJAFRP
C[NH2+]Cc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1Oc1ccc(Cl)cc1	ZINC000029130823	563075556	/nfs/dbraw/zinc/07/55/56/563075556.db2.gz	DWIOHHAGWJCPQF-UHFFFAOYSA-N	2	0	427.976	4.552	1	0		IJAFRP
NC(=[NH2+])c1ccc2nc(-c3cccc(-c4nc5ccc(C(N)=[NH2+])cc5s4)c3)sc2c1	ZINC000096909278	563197701	/nfs/dbraw/zinc/19/77/01/563197701.db2.gz	XLBDHEKMCRTZQL-UHFFFAOYSA-N	2	0	428.546	4.808	1	0		IJAFRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1c2ccccc2N(C(=O)c2ccc(C)cc2)[C@@H](C)[C@@H]1O	ZINC000013652392	562999337	/nfs/dbraw/zinc/99/93/37/562999337.db2.gz	WYUVQUNKLDFJFC-SYUUKGODSA-N	2	0	437.628	4.546	1	0		IJAFRP
C[C@@H]([NH2+]CC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1	ZINC000013802600	563007993	/nfs/dbraw/zinc/00/79/93/563007993.db2.gz	XHZKWSOQRLGCRE-OAQYLSRUSA-N	2	0	442.611	4.744	1	0		IJAFRP
C(=C/c1ccc(Oc2ccc(C3=[NH+]CCN3)cc2)cc1)\c1cc2ccc(C3=[NH+]CCN3)cc2[nH]1	ZINC000027879492	563047769	/nfs/dbraw/zinc/04/77/69/563047769.db2.gz	KFBKLOLAEPUOEC-UNXLUWIOSA-N	2	0	447.542	4.830	1	0		IJAFRP
C[NH+](C)CCSc1ccc(-c2cc(-c3ccco3)nc(SCC[NH+](C)C)n2)cc1	ZINC000040875302	563109338	/nfs/dbraw/zinc/10/93/38/563109338.db2.gz	GJZDNVPIQJTKHB-UHFFFAOYSA-N	2	0	428.627	4.711	1	0		IJAFRP
C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C(N)=[NH2+])c2)C1=O	ZINC000027406831	563041783	/nfs/dbraw/zinc/04/17/83/563041783.db2.gz	OQIVOCNUKJDXKR-UMEGOILYSA-N	2	0	448.611	4.871	1	0		IJAFRP
c1ccc(C[NH2+]CCC[NH2+]CCCCCCCC[NH2+]CCC[NH2+]Cc2ccccc2)cc1	ZINC000003781533	562937834	/nfs/dbraw/zinc/93/78/34/562937834.db2.gz	ACAZYEPMRWHZOM-UHFFFAOYSA-N	4	0	438.704	4.866	1	0		IJAFRP
C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@H](c2ccc(C(N)=[NH2+])cc2)C1=O	ZINC000013834498	563011992	/nfs/dbraw/zinc/01/19/92/563011992.db2.gz	YPXOVUQIYGTCJX-OHUGHZGNSA-N	2	0	448.611	4.871	1	0		IJAFRP
CC[NH+](CC)CCC[C@H](C)[NH2+]CCCN1CCN(c2ccnc3cc(Cl)ccc32)CC1	ZINC000026661228	563034933	/nfs/dbraw/zinc/03/49/33/563034933.db2.gz	JQHRWRIOBSOZIY-NRFANRHFSA-N	2	0	446.083	4.500	1	0		IJAFRP
C[NH+](C)CCCCCNc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)[nH+]c2ccccc12	ZINC000028240088	563052121	/nfs/dbraw/zinc/05/21/21/563052121.db2.gz	LAGKLFAMXTWUMF-UHFFFAOYSA-N	3	0	431.628	4.797	1	0		IJAFRP
C[NH+](C)C12C[C@@H](c3ccc(Cl)cc3)C([C@H](c3ccc(Cl)cc3)C1)N(CC[NH3+])CC2	ZINC000040421451	563102214	/nfs/dbraw/zinc/10/22/14/563102214.db2.gz	SFTYSIKUZZQXOM-WOLZVPSQSA-N	2	0	432.439	4.988	1	0		IJAFRP
CN(C(=O)Nc1ccc2[nH+]ccc(N3CC[NH+](C)CC3)c2c1)c1ccc(Cl)c(Cl)c1	ZINC000045228876	563125821	/nfs/dbraw/zinc/12/58/21/563125821.db2.gz	VFRZMGULSUYNLS-UHFFFAOYSA-N	2	0	444.366	4.962	1	0		IJAFRP
C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc32)CC1	ZINC000045302190	563129425	/nfs/dbraw/zinc/12/94/25/563129425.db2.gz	VRTJJJSDEFMGDO-UHFFFAOYSA-N	2	0	430.339	4.937	1	0		IJAFRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1c2ccccc2N(C(=O)c2ccc(C)cc2)[C@H](C)[C@@H]1O	ZINC000096941847	563200352	/nfs/dbraw/zinc/20/03/52/563200352.db2.gz	WYUVQUNKLDFJFC-MZFMZNHHSA-N	2	0	437.628	4.546	1	0		IJAFRP
CCCCC1(CCCC)Oc2cccc(N(CCC[NH3+])C(=O)c3ccc(C[NH3+])cc3)c2O1	ZINC000026486442	563032355	/nfs/dbraw/zinc/03/23/55/563032355.db2.gz	UJSVDCBGZRCFNP-UHFFFAOYSA-N	2	0	439.600	4.989	1	0		IJAFRP
c1c2cc(C3=[NH+]CCN3)ccc2oc1CCCCCc1cc2cc(C3=[NH+]CCN3)ccc2o1	ZINC000028870145	563067437	/nfs/dbraw/zinc/06/74/37/563067437.db2.gz	GDMJNPJHFYKMAV-UHFFFAOYSA-N	2	0	440.547	4.834	1	0		IJAFRP
OCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCO)cc2)cc1	ZINC000045350734	563132238	/nfs/dbraw/zinc/13/22/38/563132238.db2.gz	KNJNCAVPZGMICW-UHFFFAOYSA-N	2	0	442.688	4.713	1	0		IJAFRP
C[N@@H+]1CCC[C@@H]1CCNc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)[nH+]c2ccccc12	ZINC000028240101	563052108	/nfs/dbraw/zinc/05/21/08/563052108.db2.gz	DJGHRRCZAKYAFO-JOCHJYFZSA-N	3	0	429.612	4.550	1	0		IJAFRP
c1c2ccc(C3=[NH+]CCN3)cc2oc1CCCCCc1cc2ccc(C3=[NH+]CCN3)cc2o1	ZINC000028870166	563067435	/nfs/dbraw/zinc/06/74/35/563067435.db2.gz	WRSINMJRUCRXEG-UHFFFAOYSA-N	2	0	440.547	4.834	1	0		IJAFRP
Cc1cc(N2CC[NH2+]CC2)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2[nH+]1	ZINC000045188092	563123014	/nfs/dbraw/zinc/12/30/14/563123014.db2.gz	IJVUWHQLPXLYTE-UHFFFAOYSA-N	2	0	430.339	4.904	1	0		IJAFRP
COC(=O)C[C@H]1c2ccccc2[NH+]=C(N(C)CCCCC[NH+]2CCCC2)N1c1ccccc1	ZINC000049946980	563140712	/nfs/dbraw/zinc/14/07/12/563140712.db2.gz	XJHWSJMWAMLTTJ-VWLOTQADSA-N	2	0	448.611	4.996	1	0		IJAFRP
COC(=O)C[C@@H]1c2ccccc2[NH+]=C(N(C)CCCCC[NH+]2CCCC2)N1c1ccccc1	ZINC000049946981	563140728	/nfs/dbraw/zinc/14/07/28/563140728.db2.gz	XJHWSJMWAMLTTJ-RUZDIDTESA-N	2	0	448.611	4.996	1	0		IJAFRP
C[NH2+]Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1	ZINC000029129204	563075385	/nfs/dbraw/zinc/07/53/85/563075385.db2.gz	ANDYBNKRXGVQGP-UHFFFAOYSA-N	2	0	448.394	4.815	1	0		IJAFRP
COCC[NH2+]Cc1ccc(-c2ccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)cc2)cc1	ZINC000045188684	563123090	/nfs/dbraw/zinc/12/30/90/563123090.db2.gz	WCEPNUSVUFFGJS-UHFFFAOYSA-N	3	0	443.635	4.844	1	0		IJAFRP
COCC[NH2+]Cc1cccc(-c2cccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)c2)c1	ZINC000045195047	563124266	/nfs/dbraw/zinc/12/42/66/563124266.db2.gz	YDDFUTZUPMTYAH-UHFFFAOYSA-N	2	0	443.635	4.844	1	0		IJAFRP
C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@H](O)C[NH2+]C(C)(C)C)ccc4[C@H]3CC[C@@]21C	ZINC000066263354	563160907	/nfs/dbraw/zinc/16/09/07/563160907.db2.gz	RSOVNZKHWXPMSD-DZEWGDMISA-N	2	0	428.661	4.601	1	0		IJAFRP
COc1ccc(C[NH2+]Cc2ccc(-c3ccc(C[NH2+]CCc4ccccc4)cn3)cc2)cn1	ZINC000045194583	563124356	/nfs/dbraw/zinc/12/43/56/563124356.db2.gz	MRVLJERPXHBFIH-UHFFFAOYSA-N	2	0	438.575	4.774	1	0		IJAFRP
COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2C[NH2+]CC(C)(C)C[NH+](C)C)c1	ZINC000015003895	563017439	/nfs/dbraw/zinc/01/74/39/563017439.db2.gz	LNKXIIJXAKJJTN-UHFFFAOYSA-N	2	0	437.584	4.605	1	0		IJAFRP
CC[NH+](CC)Cc1ccc(C(=O)N(CCc2c(Cl)cccc2Cl)[C@@H]2CC[NH2+]C2)cc1	ZINC000028823630	563065936	/nfs/dbraw/zinc/06/59/36/563065936.db2.gz	JBFDZHUHGWRNSU-HXUWFJFHSA-N	2	0	448.438	4.882	1	0		IJAFRP
c1c2ccc(C3=[NH+]CCN3)cc2[nH]c1-c1ccc(-c2cc3ccc(C4=[NH+]CCN4)cc3[nH]2)cc1	ZINC000031970344	563083942	/nfs/dbraw/zinc/08/39/42/563083942.db2.gz	BYXATBRFGOLYAB-UHFFFAOYSA-N	2	0	444.542	4.683	1	0		IJAFRP
CCc1c(CC[NH2+]CCCCCC[NH2+]CCc2ccc(OC)cc2)ccc(OC)c1OC	ZINC000034276416	563086053	/nfs/dbraw/zinc/08/60/53/563086053.db2.gz	MAMHAYNEVCMGMX-UHFFFAOYSA-N	2	0	442.644	4.800	1	0		IJAFRP
C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc32)CC1	ZINC000045195207	563124427	/nfs/dbraw/zinc/12/44/27/563124427.db2.gz	LVWTWSKEYBDODS-UHFFFAOYSA-N	2	0	430.339	4.937	1	0		IJAFRP
COCC[NH2+]Cc1ccc(-c2cccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)c2)cc1	ZINC000045210560	563125329	/nfs/dbraw/zinc/12/53/29/563125329.db2.gz	VINXJWPEQYYTEU-UHFFFAOYSA-N	2	0	443.635	4.844	1	0		IJAFRP
C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@@H](c2ccc(C(N)=[NH2+])cc2)C1=O	ZINC000013834499	563011978	/nfs/dbraw/zinc/01/19/78/563011978.db2.gz	YPXOVUQIYGTCJX-DFIYOIEZSA-N	2	0	448.611	4.871	1	0		IJAFRP
C[NH+]1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3cc[nH+]cc3)n2)CC1	ZINC000026720351	563035634	/nfs/dbraw/zinc/03/56/34/563035634.db2.gz	OMKAFBUTORMROD-UHFFFAOYSA-N	2	0	429.503	4.552	1	0		IJAFRP
C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@H](c2ccc(C(N)=[NH2+])cc2)C1=O	ZINC000027326836	563041638	/nfs/dbraw/zinc/04/16/38/563041638.db2.gz	YPXOVUQIYGTCJX-UMEGOILYSA-N	2	0	448.611	4.871	1	0		IJAFRP
C[NH+](C)CCOC(=O)C(C[NH3+])(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1	ZINC000095576616	563186044	/nfs/dbraw/zinc/18/60/44/563186044.db2.gz	JPUPJBPRUXEGEO-UHFFFAOYSA-N	2	0	440.587	4.828	1	0		IJAFRP
C[C@H]([NH2+]CC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1	ZINC000013802602	563008024	/nfs/dbraw/zinc/00/80/24/563008024.db2.gz	XHZKWSOQRLGCRE-NRFANRHFSA-N	2	0	442.611	4.744	1	0		IJAFRP
CCC[NH+](CCC)CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000022453613	563025617	/nfs/dbraw/zinc/02/56/17/563025617.db2.gz	SZGHIAIVDAQRBI-UHFFFAOYSA-N	2	0	446.083	4.820	1	0		IJAFRP
Cc1cccc(N2CC[NH+](CCCCCC[NH+]3CCN(c4cccc(C)c4)CC3)CC2)c1	ZINC000038216590	563097079	/nfs/dbraw/zinc/09/70/79/563097079.db2.gz	CQEUVRXXXLSTIL-UHFFFAOYSA-N	2	0	434.672	4.808	1	0	in-vivo	IJAFRP
COc1ccc([C@H](C[NH2+]CCc2ccc(C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000028523903	563056347	/nfs/dbraw/zinc/05/63/47/563056347.db2.gz	ZZMPTQZANQVWEF-NDEPHWFRSA-N	2	0	435.656	4.827	1	0		IJAFRP
COCC[NH2+]Cc1cccc(-c2ccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)cc2)c1	ZINC000045229010	563125836	/nfs/dbraw/zinc/12/58/36/563125836.db2.gz	NTHPMRVICYTYNE-UHFFFAOYSA-N	2	0	443.635	4.844	1	0		IJAFRP
C[N@@H+]1CCC[C@H]1CC[NH2+]Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cn2)cc1	ZINC000045229968	563126137	/nfs/dbraw/zinc/12/61/37/563126137.db2.gz	KCRKOTOSRREGTR-MHZLTWQESA-N	3	0	428.624	4.655	1	0		IJAFRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@H](O)C[NH2+]C(C)(C)C)ccc4[C@H]3CC[C@]12C	ZINC000066263357	563160904	/nfs/dbraw/zinc/16/09/04/563160904.db2.gz	RSOVNZKHWXPMSD-DPDMSREXSA-N	2	0	428.661	4.601	1	0		IJAFRP
c1ccc(CNCC[NH2+]CCCCCCCCCC[NH2+]CCNCc2ccccc2)cc1	ZINC000022933962	563026425	/nfs/dbraw/zinc/02/64/25/563026425.db2.gz	FWJDOMSVNDIGBP-UHFFFAOYSA-N	2	0	438.704	4.866	1	0		IJAFRP
C[C@H]([NH2+]C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1	ZINC000027556870	563043812	/nfs/dbraw/zinc/04/38/12/563043812.db2.gz	WPIPAMGQNVWVQW-IBGZPJMESA-N	2	0	446.574	4.636	1	0		IJAFRP
CCOc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1	ZINC000028893012	563068616	/nfs/dbraw/zinc/06/86/16/563068616.db2.gz	IUSJINNBGHLFTG-AREMUKBSSA-N	2	0	426.576	4.865	1	0		IJAFRP
c1cc(NC2=[NH+]CCN2)ccc1CCCCCCCCCc1ccc(NC2=[NH+]CCN2)cc1	ZINC000040566077	563104875	/nfs/dbraw/zinc/10/48/75/563104875.db2.gz	ZVYVTFXEBOIPOQ-UHFFFAOYSA-N	2	0	446.643	4.945	1	0		IJAFRP
NC(=[NH2+])c1ccc2nc(-c3ccc(-c4nc5ccc(C(N)=[NH2+])cc5s4)s3)sc2c1	ZINC000045358377	563132907	/nfs/dbraw/zinc/13/29/07/563132907.db2.gz	CVRMSJKNLUZSTE-UHFFFAOYSA-N	2	0	434.575	4.870	1	0		IJAFRP
COc1cc2c(cc1Br)CC[N@H+](CCCC[NH+](C)C)C[C@H]2c1ccccc1	ZINC000013743893	563003763	/nfs/dbraw/zinc/00/37/63/563003763.db2.gz	HXQUNKIFYHBJDP-NRFANRHFSA-N	2	0	431.418	4.790	1	0		IJAFRP
CC(C)[NH+](CCCCCN1c2ccccc2O[C@H](c2cccc(C(N)=[NH2+])c2)C1=O)C(C)C	ZINC000013834518	563012044	/nfs/dbraw/zinc/01/20/44/563012044.db2.gz	IMYQMGQWJNWTLF-XMMPIXPASA-N	2	0	436.600	4.726	1	0		IJAFRP
COc1cc(C(N)=[NH2+])cc2cc(CCCCCc3cc4cc(C(N)=[NH2+])cc(OC)c4o3)oc21	ZINC000028870149	563067492	/nfs/dbraw/zinc/06/74/92/563067492.db2.gz	FBOMIYKTHAIYPC-UHFFFAOYSA-N	2	0	448.523	4.720	1	0		IJAFRP
C[NH+](C)CCOc1ccc(-c2cncc(-c3cc4ccccc4n3CC[NH+](C)C)c2)cc1	ZINC000040403567	563101050	/nfs/dbraw/zinc/10/10/50/563101050.db2.gz	SLHFYYYWXPOQRE-UHFFFAOYSA-N	2	0	428.580	4.872	1	0		IJAFRP
c1ccc2cc(C[NH2+]CCOCCOCC[NH2+]Cc3ccc4ccccc4c3)ccc2c1	ZINC000005922879	562945422	/nfs/dbraw/zinc/94/54/22/562945422.db2.gz	LPJXSOCNXHPFOI-UHFFFAOYSA-N	2	0	428.576	4.906	1	0		IJAFRP
CC[NH+](CC)Cc1ccc(C(=O)N(CCc2c(Cl)cccc2Cl)[C@H]2CC[NH2+]C2)cc1	ZINC000028823631	563065942	/nfs/dbraw/zinc/06/59/42/563065942.db2.gz	JBFDZHUHGWRNSU-FQEVSTJZSA-N	2	0	448.438	4.882	1	0		IJAFRP
C[NH+](C)CCOc1ccc(-c2cncc(-c3cc4cc(O)ccc4n3CC[NH+](C)C)c2)cc1	ZINC000040848197	563107773	/nfs/dbraw/zinc/10/77/73/563107773.db2.gz	VIKITTSYXORBKR-UHFFFAOYSA-N	2	0	444.579	4.578	1	0		IJAFRP
Cn1nc(-c2cccc(C[NH2+]CCc3cccs3)c2)c2cnc(NC3CCCC3)nc21	ZINC000045194439	563124149	/nfs/dbraw/zinc/12/41/49/563124149.db2.gz	HFALDDHQVUYYTR-UHFFFAOYSA-N	2	0	432.597	4.779	1	0		IJAFRP
[NH3+]CCCCCCCC[NH2+]Cc1c2c(nc3ccccc31)-c1cc3ccccc3c(=O)n1C2	ZINC000045357205	563132763	/nfs/dbraw/zinc/13/27/63/563132763.db2.gz	RJYKIUOAKXGLSP-UHFFFAOYSA-N	2	0	440.591	4.967	1	0		IJAFRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@@H](O)C[NH2+]C(C)(C)C)ccc4[C@H]3CC[C@]12C	ZINC000066263363	563160909	/nfs/dbraw/zinc/16/09/09/563160909.db2.gz	RSOVNZKHWXPMSD-ZNZDKYSRSA-N	2	0	428.661	4.601	1	0		IJAFRP
c1csc(C[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]Cc2cccs2)c1	ZINC000027643688	563045084	/nfs/dbraw/zinc/04/50/84/563045084.db2.gz	RMHAAKJQTGQTDB-UHFFFAOYSA-N	4	0	436.735	4.599	1	0		IJAFRP
Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1	ZINC000040394747	563100550	/nfs/dbraw/zinc/10/05/50/563100550.db2.gz	CFNXHQHHZZDTSQ-UHFFFAOYSA-N	2	0	440.591	4.764	1	0		IJAFRP
C[N@@H+]1CCC[C@@H]1CC[NH2+]Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cn2)cc1	ZINC000045229965	563126088	/nfs/dbraw/zinc/12/60/88/563126088.db2.gz	KCRKOTOSRREGTR-HHHXNRCGSA-N	3	0	428.624	4.655	1	0		IJAFRP