smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C(Nc1ccccc1)SCCCCCSC(=N)Nc1ccccc1	ZINC000001667640	263144281	/nfs/dbraw/zinc/14/42/81/263144281.db2.gz	CYFFTDPDDQKUDA-UHFFFAOYSA-N	0	3	372.563	5.316	40	30		FKEBHN
O=C(CCN1CCCCC1)/C(=C\c1ccc(Cl)cc1)c1ccccc1	ZINC000001733646	526482139	/nfs/dbraw/zinc/48/21/39/526482139.db2.gz	WADVUPXVTWZJPV-FXBPSFAMSA-N	0	3	353.893	5.326	40	30		FKEBHN
CCCCC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1	ZINC000004375809	204135165	/nfs/dbraw/zinc/13/51/65/204135165.db2.gz	BIMIEBMZQZLFKK-XOMAYSQNSA-N	0	3	350.506	5.831	40	30		FKEBHN
CCCCC[C@@H](C[NH+](C)C)C(/C=C\c1ccc(Cl)c(Cl)c1)=N\[O-]	ZINC000005385199	263340921	/nfs/dbraw/zinc/34/09/21/263340921.db2.gz	NRHHMCVOSSAKLS-AEFIZBKUSA-N	0	3	357.325	5.595	40	30		FKEBHN
O/N=C1\C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1Cc1ccccc1	ZINC000005769167	207116878	/nfs/dbraw/zinc/11/68/78/207116878.db2.gz	ODMJIIJUJAYBCI-LOPIBSKXSA-N	0	3	356.469	5.151	40	30		FKEBHN
Cn1c([N-][NH+]=Cc2c3ccccc3cc3ccccc32)nc2ccccc21	ZINC000007343417	571298738	/nfs/dbraw/zinc/29/87/38/571298738.db2.gz	GZYRVFFCWQSQLL-BUVRLJJBSA-N	0	3	350.425	5.326	40	30		FKEBHN
O/N=C1\C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1Cc1ccccc1	ZINC000013301336	571323158	/nfs/dbraw/zinc/32/31/58/571323158.db2.gz	ODMJIIJUJAYBCI-RJIYWPMVSA-N	0	3	356.469	5.151	40	30		FKEBHN
O/N=C1\C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1Cc1ccccc1	ZINC000013301354	571323187	/nfs/dbraw/zinc/32/31/87/571323187.db2.gz	ODMJIIJUJAYBCI-YIRXRCABSA-N	0	3	356.469	5.151	40	30		FKEBHN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1ccccc1Cl	ZINC000014671940	570856191	/nfs/dbraw/zinc/85/61/91/570856191.db2.gz	FIPHIFFMXLQWDJ-HXUWFJFHSA-N	0	3	369.917	6.242	40	30		FKEBHN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1ccccc1Cl	ZINC000014671941	570856147	/nfs/dbraw/zinc/85/61/47/570856147.db2.gz	FIPHIFFMXLQWDJ-FQEVSTJZSA-N	0	3	369.917	6.242	40	30		FKEBHN
O=C(CCN1CCCCC1)/C(=C/c1ccc(Cl)cc1)c1ccccc1	ZINC000016968714	526483077	/nfs/dbraw/zinc/48/30/77/526483077.db2.gz	WADVUPXVTWZJPV-HEHNFIMWSA-N	0	3	353.893	5.326	40	30		FKEBHN
Cc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N2CCCCC2)cc1	ZINC000016969751	220198903	/nfs/dbraw/zinc/19/89/03/220198903.db2.gz	KBCGGHIOJYZTHJ-RQZHXJHFSA-N	0	3	368.524	6.343	40	30		FKEBHN
CCCCC[C@@H](C[NH+](C)C)C(/C=C\c1ccc(Cl)c(Cl)c1)=N/[O-]	ZINC000017064709	570865565	/nfs/dbraw/zinc/86/55/65/570865565.db2.gz	NRHHMCVOSSAKLS-UAIGEQISSA-N	0	3	357.325	5.595	40	30		FKEBHN
CCCCC[C@@H](C[NH+](C)C)C(/C=C/c1ccc(Cl)c(Cl)c1)=N\[O-]	ZINC000017064710	520290992	/nfs/dbraw/zinc/29/09/92/520290992.db2.gz	NRHHMCVOSSAKLS-SSWZZTKISA-N	0	3	357.325	5.595	40	30		FKEBHN
Clc1ccc(/C=N/CCCCCC/N=C\c2ccc(Cl)cc2)cc1	ZINC000017376672	526938626	/nfs/dbraw/zinc/93/86/26/526938626.db2.gz	FGWCNZPMXNRXKM-REPVBDINSA-N	0	3	361.316	6.092	40	30		FKEBHN
C(/N=C/C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1	ZINC000017421849	570872784	/nfs/dbraw/zinc/87/27/84/570872784.db2.gz	HDDVPUSEVBKLHY-XHLNEMQHSA-N	0	3	373.499	6.979	40	30		FKEBHN
Clc1ccc(/C=N/CCCCCC/N=C/c2ccc(Cl)cc2)cc1	ZINC000018100383	526938306	/nfs/dbraw/zinc/93/83/06/526938306.db2.gz	FGWCNZPMXNRXKM-DFEHQXHXSA-N	0	3	361.316	6.092	40	30		FKEBHN
Cc1ccc(/N=C(\C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1	ZINC000018206995	220228369	/nfs/dbraw/zinc/22/83/69/220228369.db2.gz	BXAORLGNIRMHKN-OCEACIFDSA-N	0	3	370.496	5.189	40	30		FKEBHN
O/N=C1\C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1Cc1ccccc1	ZINC000033906251	568555903	/nfs/dbraw/zinc/55/59/03/568555903.db2.gz	ODMJIIJUJAYBCI-KPVRTWQTSA-N	0	3	356.469	5.151	40	30		FKEBHN
C(=N\N(c1ccccc1)c1ccccc1)\c1ccc(N2CCCCC2)cc1	ZINC000035614765	570681219	/nfs/dbraw/zinc/68/12/19/570681219.db2.gz	GPTRNWWQIOVTMC-QQTULTPQSA-N	0	3	355.485	5.849	40	30		FKEBHN
Cc1ccc(C(=O)/C=C/C2=C(N3CCCCCC3)Cc3ccccc32)cc1	ZINC000055120947	221059698	/nfs/dbraw/zinc/05/96/98/221059698.db2.gz	XAZPKFATMYNVAR-CCEZHUSRSA-N	0	3	357.497	5.577	40	30		FKEBHN
Cc1cccc(C(=O)/C=C/C2=C(N3CCCCCC3)Cc3ccccc32)c1	ZINC000055129541	571116481	/nfs/dbraw/zinc/11/64/81/571116481.db2.gz	ZCAQEGDWUKAAOA-BUHFOSPRSA-N	0	3	357.497	5.577	40	30		FKEBHN
O=C(/C=C/C1=C(N2CCCCCC2)Cc2ccccc21)c1ccc(F)cc1	ZINC000055129547	221059729	/nfs/dbraw/zinc/05/97/29/221059729.db2.gz	GMJNBAXPEJXKKJ-BUHFOSPRSA-N	0	3	361.460	5.408	40	30		FKEBHN
CN1[C@@H](c2ccccc2)CC(=NOCc2ccccc2)C[C@H]1c1ccccc1	ZINC000073257543	571200532	/nfs/dbraw/zinc/20/05/32/571200532.db2.gz	VUCFRUBUXMGNIA-PLQXJYEYSA-N	0	3	370.496	5.767	40	30		FKEBHN
CN1[C@@H](c2ccccc2)CC(=NOCc2ccccc2)C[C@@H]1c1ccccc1	ZINC000073257544	221562671	/nfs/dbraw/zinc/56/26/71/221562671.db2.gz	VUCFRUBUXMGNIA-JWQCQUIFSA-N	0	3	370.496	5.767	40	30		FKEBHN
CN1[C@H](c2ccccc2)CC(=NOCc2ccccc2)C[C@H]1c1ccccc1	ZINC000073257545	221562705	/nfs/dbraw/zinc/56/27/05/221562705.db2.gz	VUCFRUBUXMGNIA-DQEYMECFSA-N	0	3	370.496	5.767	40	30		FKEBHN
Cc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1	ZINC000100513010	206224265	/nfs/dbraw/zinc/22/42/65/206224265.db2.gz	BXAORLGNIRMHKN-QPLCGJKRSA-N	0	3	370.496	5.189	40	30		FKEBHN
CCCCCCCCCCCCCCCC[n+]1ccn(CC=N[O-])c1	ZINC000100749837	520004126	/nfs/dbraw/zinc/00/41/26/520004126.db2.gz	YKRNNVXGGHJZBQ-CJLVFECKSA-O	0	3	350.571	5.717	40	30		FKEBHN
CCCCCCCCOCCN(CCO)CCOCCCCCCCC	ZINC000100923558	209219452	/nfs/dbraw/zinc/21/94/52/209219452.db2.gz	UWSSBTLLBIYKCP-UHFFFAOYSA-N	0	3	373.622	5.035	40	30		FKEBHN
CCCCCCCCCCCCCCOc1ccccc1C1=NCCN1	ZINC000100934646	209221006	/nfs/dbraw/zinc/22/10/06/209221006.db2.gz	GZSACVNJJGMJCK-UHFFFAOYSA-N	0	3	358.570	6.116	40	30		FKEBHN
O/N=C1/CCCCCCCCCC[C@H]1N1CCC(c2ccccc2)CC1	ZINC000100950509	222258231	/nfs/dbraw/zinc/25/82/31/222258231.db2.gz	MAFPEDHENQJTET-UGUGFTGJSA-N	0	3	356.554	5.979	40	30		FKEBHN
CCCCC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1	ZINC000102121253	222289001	/nfs/dbraw/zinc/28/90/01/222289001.db2.gz	BIMIEBMZQZLFKK-VMFSPHAOSA-N	0	3	350.506	5.831	40	30		FKEBHN
CCCCCCCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21	ZINC000102998103	519975643	/nfs/dbraw/zinc/97/56/43/519975643.db2.gz	DDPJQMPWGGYLRI-RBBKRZOGSA-N	0	3	356.554	5.270	40	30		FKEBHN
Clc1ccc(/C=N\CCCCCC/N=C\c2ccc(Cl)cc2)cc1	ZINC000104063763	526940612	/nfs/dbraw/zinc/94/06/12/526940612.db2.gz	FGWCNZPMXNRXKM-MPKYGIEOSA-N	0	3	361.316	6.092	40	30		FKEBHN
CCCCCCCCCC[C@H](O)CN1CCN(c2cccc(C)c2)CC1	ZINC000104063977	534983530	/nfs/dbraw/zinc/98/35/30/534983530.db2.gz	VJINHTMZUPZCKC-QHCPKHFHSA-N	0	3	360.586	5.009	40	30		FKEBHN
CCCCCCCCCC[C@@H](O)CN1CCN(c2cccc(C)c2)CC1	ZINC000104063982	534983589	/nfs/dbraw/zinc/98/35/89/534983589.db2.gz	VJINHTMZUPZCKC-HSZRJFAPSA-N	0	3	360.586	5.009	40	30		FKEBHN
C(/N=C\C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1	ZINC000104083223	209258029	/nfs/dbraw/zinc/25/80/29/209258029.db2.gz	HDDVPUSEVBKLHY-ANYBSYGZSA-N	0	3	373.499	6.979	40	30		FKEBHN
CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(C)C	ZINC000104110087	222351040	/nfs/dbraw/zinc/35/10/40/222351040.db2.gz	XBAWSQDWPKWYFF-QXMHVHEDSA-N	0	3	352.607	5.702	40	30		FKEBHN
CCCCCCCC/C=C/CCCCCCCC(=O)NCCN(C)C	ZINC000104110093	570520339	/nfs/dbraw/zinc/52/03/39/570520339.db2.gz	XBAWSQDWPKWYFF-VAWYXSNFSA-N	0	3	352.607	5.702	40	30		FKEBHN
CCCCC[C@@H](C[NH+](C)C)C(/C=C/c1ccc(Cl)c(Cl)c1)=N/[O-]	ZINC000104194341	520291112	/nfs/dbraw/zinc/29/11/12/520291112.db2.gz	NRHHMCVOSSAKLS-LSLCKSPRSA-N	0	3	357.325	5.595	40	30		FKEBHN
Cc1ccc(/N=C(\C(c2ccccc2)c2ccccc2)N2CCCCC2)cc1	ZINC000104332995	209260733	/nfs/dbraw/zinc/26/07/33/209260733.db2.gz	KBCGGHIOJYZTHJ-CYYJNZCTSA-N	0	3	368.524	6.343	40	30		FKEBHN
CCCCCCCCN1CCN(CCCCCCCC)[C@H]2CCCC[C@@H]21	ZINC000104340068	570521268	/nfs/dbraw/zinc/52/12/68/570521268.db2.gz	NZDPNEQUECZGAX-ZEQRLZLVSA-N	0	3	364.662	6.636	40	30		FKEBHN
CCCCCCCCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1	ZINC000105342609	263448022	/nfs/dbraw/zinc/44/80/22/263448022.db2.gz	WVFLRRAJUDRDNK-UHFFFAOYSA-N	0	3	357.494	5.573	40	30		FKEBHN