smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]12CCCC[C@@H]1C1(C=CC(=O)C=C1)C(c1ccccc1)=[NH+]2	ZINC000000974217	525344892	/nfs/dbraw/zinc/34/48/92/525344892.db2.gz	HNGDLSQOOANPDO-HKUYNNGSSA-N	1	1	291.394	4.120	40	30		CIEBMO
C=C1c2[nH]c3ccccc3c2[C@@H]2[C@@H](CC)[C@H]1CC[N@H+]2C	ZINC000001699363	566902168	/nfs/dbraw/zinc/90/21/68/566902168.db2.gz	MFFIRXGJJPPAMA-LXIYXOSZSA-N	1	1	266.388	4.214	40	30		CIEBMO
CCCCCCCCCNc1[nH+]cnc2[nH]ccc21	ZINC000008214627	567860788	/nfs/dbraw/zinc/86/07/88/567860788.db2.gz	SAZVHJCXDDFMOS-UHFFFAOYSA-N	1	1	260.385	4.120	40	30	in-man	CIEBMO
N#C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1	ZINC000026895110	567883096	/nfs/dbraw/zinc/88/30/96/567883096.db2.gz	ZKQZXOHHGSSQLN-WMZOPIPTSA-N	1	1	296.801	4.079	40	30		CIEBMO
N#C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1	ZINC000026895110	567883097	/nfs/dbraw/zinc/88/30/97/567883097.db2.gz	ZKQZXOHHGSSQLN-WMZOPIPTSA-N	1	1	296.801	4.079	40	30		CIEBMO
C=CC[N@H+]1CCCC[C@H]1c1ccc(Br)cc1	ZINC000002527218	567930945	/nfs/dbraw/zinc/93/09/45/567930945.db2.gz	HYWNXELTZSYGLP-AWEZNQCLSA-N	1	1	280.209	4.162	40	30		CIEBMO
C=CC[N@@H+]1CCCC[C@H]1c1ccc(Br)cc1	ZINC000002527218	567930946	/nfs/dbraw/zinc/93/09/46/567930946.db2.gz	HYWNXELTZSYGLP-AWEZNQCLSA-N	1	1	280.209	4.162	40	30		CIEBMO
C=CC[N@H+]1CCCC[C@@H]1c1ccc(Br)cc1	ZINC000090750619	180035481	/nfs/dbraw/zinc/03/54/81/180035481.db2.gz	HYWNXELTZSYGLP-CQSZACIVSA-N	1	1	280.209	4.162	40	30		CIEBMO
C=CC[N@@H+]1CCCC[C@@H]1c1ccc(Br)cc1	ZINC000090750619	180035482	/nfs/dbraw/zinc/03/54/82/180035482.db2.gz	HYWNXELTZSYGLP-CQSZACIVSA-N	1	1	280.209	4.162	40	30		CIEBMO
C(=[NH+]\C1CCCCC1)\c1cccn1-c1ccccc1	ZINC000408849101	567933237	/nfs/dbraw/zinc/93/32/37/567933237.db2.gz	VDIZKZQMVOEKKI-JXAWBTAJSA-N	1	1	252.361	4.229	40	30		CIEBMO
CC(=NNc1cc[nH+]cc1)c1ccc2ccccc2c1	ZINC000028467744	567953093	/nfs/dbraw/zinc/95/30/93/567953093.db2.gz	FIJFOWVYBHSJSE-CPNJWEJPSA-N	1	1	261.328	4.071	40	30		CIEBMO
CCCCCCCNCC[NH2+]CCCCCCC	ZINC000100052363	570257940	/nfs/dbraw/zinc/25/79/40/570257940.db2.gz	ZFZFSUJLPLACON-UHFFFAOYSA-N	1	1	256.478	4.106	40	30		CIEBMO
CCCCCCCCCCCNc1nc(N)cc[nH+]1	ZINC000001670192	567840821	/nfs/dbraw/zinc/84/08/21/567840821.db2.gz	RCVLKGBPTCZRHT-UHFFFAOYSA-N	1	1	264.417	4.002	40	30		CIEBMO
C=CCn1c(C)c(/C=C/C2=CC[N@@H+](C)CC2)c2ccccc21	ZINC000004933135	567934500	/nfs/dbraw/zinc/93/45/00/567934500.db2.gz	APKMYWMUEYECGB-MDZDMXLPSA-N	1	1	292.426	4.411	40	30		CIEBMO
C=C1c2[nH]c3ccccc3c2[C@@H]2[C@H](CC)[C@H]1CC[N@H+]2C	ZINC000004808220	170020426	/nfs/dbraw/zinc/02/04/26/170020426.db2.gz	MFFIRXGJJPPAMA-VBHSOAQHSA-N	1	1	266.388	4.214	40	30		CIEBMO
C[N@@H+]1CC=C(/C=C/c2ccc(C#Cc3ccccc3)cc2)CC1	ZINC000005002427	170053261	/nfs/dbraw/zinc/05/32/61/170053261.db2.gz	XFIOYZQCXIHFFE-BUHFOSPRSA-N	1	1	299.417	4.362	40	30		CIEBMO
N#C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1	ZINC000037263072	173073177	/nfs/dbraw/zinc/07/31/77/173073177.db2.gz	ZKQZXOHHGSSQLN-AEFFLSMTSA-N	1	1	296.801	4.079	40	30		CIEBMO
N#C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1	ZINC000037263072	173073178	/nfs/dbraw/zinc/07/31/78/173073178.db2.gz	ZKQZXOHHGSSQLN-AEFFLSMTSA-N	1	1	296.801	4.079	40	30		CIEBMO
N#C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1	ZINC000002547084	260009542	/nfs/dbraw/zinc/00/95/42/260009542.db2.gz	ZKQZXOHHGSSQLN-SJLPKXTDSA-N	1	1	296.801	4.079	40	30		CIEBMO
N#C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1	ZINC000002547084	260009544	/nfs/dbraw/zinc/00/95/44/260009544.db2.gz	ZKQZXOHHGSSQLN-SJLPKXTDSA-N	1	1	296.801	4.079	40	30		CIEBMO
CN1CCCCC/C1=[NH+]\c1nc(-c2ccccc2)cs1	ZINC000057638687	566955233	/nfs/dbraw/zinc/95/52/33/566955233.db2.gz	DVDVAHPIOQVJTP-OBGWFSINSA-N	1	1	285.416	4.346	40	30		CIEBMO
C/C(C[C@H](c1ccccc1)[N@H+]1CCc2ccccc2C1)=N/O	ZINC000095567696	185010225	/nfs/dbraw/zinc/01/02/25/185010225.db2.gz	YASSBQUIPOISHI-GCFJHJGGSA-N	1	1	294.398	4.026	40	30		CIEBMO
Cc1cc(NN=Cc2ccc(O)cc2)c2cccc(C)c2[nH+]1	ZINC000005006973	170054059	/nfs/dbraw/zinc/05/40/59/170054059.db2.gz	WSKUCIMENIWKLD-YBFXNURJSA-N	1	1	291.354	4.003	40	30		CIEBMO
C[C@]12CCCC[C@H]1C1(C=CC(=O)C=C1)C(c1ccccc1)=[NH+]2	ZINC000000974215	525343552	/nfs/dbraw/zinc/34/35/52/525343552.db2.gz	HNGDLSQOOANPDO-MJGOQNOKSA-N	1	1	291.394	4.120	40	30		CIEBMO
CC(=[NH+]\N(C)c1ccccc1)/C(C)=N\N(C)c1ccccc1	ZINC000017427514	567875683	/nfs/dbraw/zinc/87/56/83/567875683.db2.gz	GAZUJKJJBRIPLV-VBGLAJCLSA-N	1	1	294.402	4.011	40	30		CIEBMO
C[C@@]12CCCC[C@@H]1C1(C=CC(=O)C=C1)C(c1ccccc1)=[NH+]2	ZINC000000974218	525911447	/nfs/dbraw/zinc/91/14/47/525911447.db2.gz	HNGDLSQOOANPDO-PKOBYXMFSA-N	1	1	291.394	4.120	40	30		CIEBMO
C/C(C[C@H](c1ccccc1)[N@H+]1CCc2ccccc2C1)=N\O	ZINC000016973069	570225433	/nfs/dbraw/zinc/22/54/33/570225433.db2.gz	YASSBQUIPOISHI-NGYXKBBWSA-N	1	1	294.398	4.026	40	30		CIEBMO
C/C(C[C@@H](c1ccccc1)[N@H+]1CCc2ccccc2C1)=N/O	ZINC000095567695	185010250	/nfs/dbraw/zinc/01/02/50/185010250.db2.gz	YASSBQUIPOISHI-RVPSJEOCSA-N	1	1	294.398	4.026	40	30		CIEBMO
C[C@@]12CCCC[C@H]1C1(C=CC(=O)C=C1)C(c1ccccc1)=[NH+]2	ZINC000000974216	525911773	/nfs/dbraw/zinc/91/17/73/525911773.db2.gz	HNGDLSQOOANPDO-IEBWSBKVSA-N	1	1	291.394	4.120	40	30		CIEBMO
CCCCCCCCCCCC[N@H+]1CCC[C@@H](O)C1	ZINC000036351365	567861030	/nfs/dbraw/zinc/86/10/30/567861030.db2.gz	QXVKGKUPQPASMQ-QGZVFWFLSA-N	1	1	269.473	4.364	40	30		CIEBMO
Cc1cc(N2CCCC2)ccc1C=[NH+]Nc1ccccc1	ZINC000016282066	567872714	/nfs/dbraw/zinc/87/27/14/567872714.db2.gz	ZUOQLOYPONONJY-XMHGGMMESA-N	1	1	279.387	4.041	40	30		CIEBMO
CCCCCCCCCCCCOCC[NH+]1CCOCC1	ZINC000100932601	567914116	/nfs/dbraw/zinc/91/41/16/567914116.db2.gz	AWJVPNXWMVASKV-UHFFFAOYSA-N	1	1	299.499	4.256	40	30		CIEBMO
CCCCCCCCCCCC[N@H+]1CCC[C@H](O)C1	ZINC000036351364	567860881	/nfs/dbraw/zinc/86/08/81/567860881.db2.gz	QXVKGKUPQPASMQ-KRWDZBQOSA-N	1	1	269.473	4.364	40	30		CIEBMO
Cc1c(/C=[NH+]/C2CCCCC2)c2ccccc2n1C	ZINC000059303552	567956333	/nfs/dbraw/zinc/95/63/33/567956333.db2.gz	VURUUHFFDZJYNU-LDADJPATSA-N	1	1	254.377	4.238	40	30		CIEBMO
C=CC[N@@H+]1[C@H](c2ccccc2)C[C@]2(C)/C(=N/O)CCCC[C@H]12	ZINC000212418532	570301434	/nfs/dbraw/zinc/30/14/34/570301434.db2.gz	CCAIZPFMNOXQFF-GCYJDHDUSA-N	1	1	298.430	4.399	40	30		CIEBMO
[NH2+]=C(Nc1cc(Cl)ccc1Cl)c1ccccc1	ZINC000006863886	170251231	/nfs/dbraw/zinc/25/12/31/170251231.db2.gz	IQOVIJNFDXIKJR-UHFFFAOYSA-N	1	1	265.143	4.030	40	30		CIEBMO
N#C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1	ZINC000026895112	567883190	/nfs/dbraw/zinc/88/31/90/567883190.db2.gz	ZKQZXOHHGSSQLN-FUHWJXTLSA-N	1	1	296.801	4.079	40	30		CIEBMO
N#C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1	ZINC000026895112	567883191	/nfs/dbraw/zinc/88/31/91/567883191.db2.gz	ZKQZXOHHGSSQLN-FUHWJXTLSA-N	1	1	296.801	4.079	40	30		CIEBMO
C/C(C[C@@H](c1ccccc1)[N@H+]1CCc2ccccc2C1)=N\O	ZINC000016973074	570225519	/nfs/dbraw/zinc/22/55/19/570225519.db2.gz	YASSBQUIPOISHI-AZGFIHASSA-N	1	1	294.398	4.026	40	30		CIEBMO
CC(=NNc1cc[nH+]cc1)c1ccc2ccccc2c1	ZINC000253476380	566960246	/nfs/dbraw/zinc/96/02/46/566960246.db2.gz	FIJFOWVYBHSJSE-UHFFFAOYSA-N	1	1	261.328	4.071	40	30		CIEBMO
C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000096429655	567910102	/nfs/dbraw/zinc/91/01/02/567910102.db2.gz	WRZFUOOSXMQGBT-WLXKUWDESA-N	1	1	294.398	4.271	40	30		CIEBMO
CN1CCCCC/C1=[NH+]/c1nc(-c2ccccc2)cs1	ZINC000013301197	567118142	/nfs/dbraw/zinc/11/81/42/567118142.db2.gz	DVDVAHPIOQVJTP-SDXDJHTJSA-N	1	1	285.416	4.346	40	30		CIEBMO
C=CC[N@@H+]1[C@H](c2ccccc2)C[C@]2(C)C(=O)CCCC[C@H]12	ZINC000095951589	185039824	/nfs/dbraw/zinc/03/98/24/185039824.db2.gz	HQLPLGDXGVQSPT-LNLFQRSKSA-N	1	1	283.415	4.137	40	30		CIEBMO
C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000096903510	185128064	/nfs/dbraw/zinc/12/80/64/185128064.db2.gz	WRZFUOOSXMQGBT-CMEPIEOSSA-N	1	1	294.398	4.271	40	30		CIEBMO
C[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000004713342	170003352	/nfs/dbraw/zinc/00/33/52/170003352.db2.gz	WRZFUOOSXMQGBT-QLDOSPRUSA-N	1	1	294.398	4.271	40	30		CIEBMO
CC(=NNc1cc[nH+]cc1)c1ccc2ccccc2c1	ZINC000006317056	170190745	/nfs/dbraw/zinc/19/07/45/170190745.db2.gz	FIJFOWVYBHSJSE-UYRXBGFRSA-N	1	1	261.328	4.071	40	30		CIEBMO
Cc1cc(N2CCCC2)c(F)cc1C=[NH+]Nc1ccccc1	ZINC000107659419	567095295	/nfs/dbraw/zinc/09/52/95/567095295.db2.gz	KSWSSXQEWQUJQT-DEDYPNTBSA-N	1	1	297.377	4.180	40	30		CIEBMO
CC1=Nc2ccccc2C1=[NH+]Nc1ccc(C)cc1C	ZINC000100845040	567889425	/nfs/dbraw/zinc/88/94/25/567889425.db2.gz	UXSCTQXLWITMCW-JZJYNLBNSA-N	1	1	263.344	4.226	40	30		CIEBMO