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](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000032508530	556808527	/nfs/dbraw/zinc/80/85/27/556808527.db2.gz	BOTQSSAUYJPBTM-PJAOBQMKSA-N	1	1	437.631	3.489	40	30		IGEBMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(F)(F)C(F)(F)C(F)(F)F)CC1	ZINC000409034732	556928190	/nfs/dbraw/zinc/92/81/90/556928190.db2.gz	NXZNTSKXSJZBSW-AQHIEDMUSA-N	1	1	431.312	3.061	40	30		IGEBMO
C=CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000100201828	557294427	/nfs/dbraw/zinc/29/44/27/557294427.db2.gz	GJGMEQXVOWSZFX-NAZDKBRTSA-N	1	1	447.922	3.352	40	30		IGEBMO
C=CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@H+]12	ZINC000012363555	518877693	/nfs/dbraw/zinc/87/76/93/518877693.db2.gz	JNHADTJUPUDAGI-BILGYAHESA-N	1	1	427.504	3.088	40	30		IGEBMO
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000054333067	521900074	/nfs/dbraw/zinc/90/00/74/521900074.db2.gz	BOTQSSAUYJPBTM-RAFOPPPQSA-N	1	1	437.631	3.489	40	30		IGEBMO
C=CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1	ZINC000022929306	557277776	/nfs/dbraw/zinc/27/77/76/557277776.db2.gz	LVIHWJSIZWPGRM-OAQYLSRUSA-N	1	1	426.927	3.407	40	30		IGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319272	557291413	/nfs/dbraw/zinc/29/14/13/557291413.db2.gz	PIMMZWOWBNYGJD-QZDOXPCSSA-N	1	1	437.631	3.489	40	30		IGEBMO
C=CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2ccc(OC)c(OC)c2)CC1	ZINC000019559971	557500538	/nfs/dbraw/zinc/50/05/38/557500538.db2.gz	OIWLWGYNNZJSNK-QFIPXVFZSA-N	1	1	426.565	3.089	40	30		IGEBMO
C=CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@H+]12	ZINC000012363557	518878780	/nfs/dbraw/zinc/87/87/80/518878780.db2.gz	JNHADTJUPUDAGI-PIXQIBFHSA-N	1	1	427.504	3.088	40	30		IGEBMO
C=CCN(Cc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000224479490	556628986	/nfs/dbraw/zinc/62/89/86/556628986.db2.gz	QXXLJKQQYBZEEI-UHFFFAOYSA-N	1	1	441.597	3.150	40	30		IGEBMO
C[N@@H+]1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NOC(=O)C(F)(F)F)cc2)C1	ZINC000095635457	523994910	/nfs/dbraw/zinc/99/49/10/523994910.db2.gz	HINZHZVIWZUHDM-UHFFFAOYSA-N	1	1	431.414	3.428	40	30		IGEBMO
C[N@H+]1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NOC(=O)C(F)(F)F)cc2)C1	ZINC000095635457	523994913	/nfs/dbraw/zinc/99/49/13/523994913.db2.gz	HINZHZVIWZUHDM-UHFFFAOYSA-N	1	1	431.414	3.428	40	30		IGEBMO
C=C(C)CN(CC)C(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](Cc2ccccc2)CC1	ZINC000019526137	568854515	/nfs/dbraw/zinc/85/45/15/568854515.db2.gz	YKFUDBDSCGERGK-UHFFFAOYSA-N	1	1	430.552	3.493	40	30		IGEBMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/n2cnnc2SCc2ccccc2)CC1	ZINC000059489954	557826124	/nfs/dbraw/zinc/82/61/24/557826124.db2.gz	XQDWQKJTWOLIBF-OEAKJJBVSA-N	1	1	437.529	3.113	40	30		IGEBMO
N#Cc1c(=O)n(CCOC(=O)C[NH3+])nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1	ZINC000001585101	568875928	/nfs/dbraw/zinc/87/59/28/568875928.db2.gz	LPNBODYVKZXRID-UHFFFAOYSA-N	1	1	443.290	3.258	40	30		IGEBMO
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)nnc1-c1ccco1	ZINC000408582047	569286237	/nfs/dbraw/zinc/28/62/37/569286237.db2.gz	LKFXGHSYWIIUOA-UHFFFAOYSA-N	1	1	428.543	3.210	40	30		IGEBMO
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)nnc1-c1ccco1	ZINC000408582047	569286239	/nfs/dbraw/zinc/28/62/39/569286239.db2.gz	LKFXGHSYWIIUOA-UHFFFAOYSA-N	1	1	428.543	3.210	40	30		IGEBMO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CSc3nnc(Cc4ccccc4)o3)sc2C1	ZINC000408581998	569286335	/nfs/dbraw/zinc/28/63/35/569286335.db2.gz	KTRRUVXHHCDNGM-UHFFFAOYSA-N	1	1	425.539	3.312	40	30		IGEBMO
C[N@H+]1CCc2c(C#N)c(NC(=O)CSc3nnc(Cc4ccccc4)o3)sc2C1	ZINC000408581998	569286338	/nfs/dbraw/zinc/28/63/38/569286338.db2.gz	KTRRUVXHHCDNGM-UHFFFAOYSA-N	1	1	425.539	3.312	40	30		IGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319141	557291190	/nfs/dbraw/zinc/29/11/90/557291190.db2.gz	XJOGATJZEDQJIA-LNQCCUSDSA-N	1	1	437.631	3.489	40	30		IGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319268	557291419	/nfs/dbraw/zinc/29/14/19/557291419.db2.gz	PIMMZWOWBNYGJD-YTCPRFGJSA-N	1	1	437.631	3.489	40	30		IGEBMO
C#CCN(CC(C)C)C(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@H+](Cc2ccccc2)CC1	ZINC000019447053	568853989	/nfs/dbraw/zinc/85/39/89/568853989.db2.gz	WTKRFIBWADDOJN-UHFFFAOYSA-N	1	1	442.563	3.186	40	30		IGEBMO
C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043119705	518784259	/nfs/dbraw/zinc/78/42/59/518784259.db2.gz	FZMWGFNRTRITGY-NRFANRHFSA-N	1	1	429.427	3.041	40	30		IGEBMO
C=CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1	ZINC000022929303	557277850	/nfs/dbraw/zinc/27/78/50/557277850.db2.gz	LVIHWJSIZWPGRM-NRFANRHFSA-N	1	1	426.927	3.407	40	30		IGEBMO
C=CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(OC)c(OC)c2)CC1	ZINC000019559969	557500501	/nfs/dbraw/zinc/50/05/01/557500501.db2.gz	OIWLWGYNNZJSNK-JOCHJYFZSA-N	1	1	426.565	3.089	40	30		IGEBMO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2nnc(C(=O)NC4CCCCC4)n2CC3)cc1	ZINC000306135552	569286559	/nfs/dbraw/zinc/28/65/59/569286559.db2.gz	OUQINYYZZDVWQK-VWLOTQADSA-N	1	1	432.572	3.441	40	30		IGEBMO
CCN(CC)c1ccc(C=NNC(=N)C(=N)N[NH+]=Cc2ccc(N(CC)CC)cc2)cc1	ZINC000033750410	556567397	/nfs/dbraw/zinc/56/73/97/556567397.db2.gz	DJQXAHHVHYDKCQ-HJTNQMAYSA-N	1	1	434.592	3.461	40	30		IGEBMO
C=CCN(Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224482330	556630551	/nfs/dbraw/zinc/63/05/51/556630551.db2.gz	SWGCDVCTHGJHMK-UHFFFAOYSA-N	1	1	447.988	3.105	40	30		IGEBMO
C[NH+]1CCN(CC(=O)N2CC3(CCOCC3)c3cc(-c4ccc(F)c(C#N)c4)ccc32)CC1	ZINC000585105777	557860692	/nfs/dbraw/zinc/86/06/92/557860692.db2.gz	KVTYQQFTLZEREN-UHFFFAOYSA-N	1	1	448.542	3.007	40	30		IGEBMO
N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCc2nnc(C(=O)NC4CCCCC4)n2CC3)cc1	ZINC000306135551	569286746	/nfs/dbraw/zinc/28/67/46/569286746.db2.gz	OUQINYYZZDVWQK-RUZDIDTESA-N	1	1	432.572	3.441	40	30		IGEBMO
C[NH+](C)CCCNc1nc(C(F)(F)F)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1	ZINC000328973621	569582807	/nfs/dbraw/zinc/58/28/07/569582807.db2.gz	FBGVQMYVSDPJNW-UHFFFAOYSA-N	1	1	426.340	3.854	40	30		IGEBMO
CCN(CC)c1ccc(C=NNC(=N)C(=N)N[NH+]=Cc2ccc(N(CC)CC)cc2)cc1	ZINC000033750412	556567780	/nfs/dbraw/zinc/56/77/80/556567780.db2.gz	DJQXAHHVHYDKCQ-HJVIKEODSA-N	1	1	434.592	3.461	40	30		IGEBMO
CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000245228667	556808732	/nfs/dbraw/zinc/80/87/32/556808732.db2.gz	BOTQSSAUYJPBTM-PSGYSBPMSA-N	1	1	437.631	3.489	40	30		IGEBMO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4ccccc4)o3)sc2C1	ZINC000408583007	569286371	/nfs/dbraw/zinc/28/63/71/569286371.db2.gz	QULQWOMJLJFGMT-UHFFFAOYSA-N	1	1	441.538	3.300	40	30		IGEBMO
C[N@H+]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4ccccc4)o3)sc2C1	ZINC000408583007	569286373	/nfs/dbraw/zinc/28/63/73/569286373.db2.gz	QULQWOMJLJFGMT-UHFFFAOYSA-N	1	1	441.538	3.300	40	30		IGEBMO
Cc1ccc(N[NH+]=Cc2cc([N+](=O)[O-])c(N3CCOCC3)cc2N2CCOCC2)c(C)c1	ZINC000408718912	556140165	/nfs/dbraw/zinc/14/01/65/556140165.db2.gz	BJVJYNVBCWSNQX-LFVJCYFKSA-N	1	1	439.516	3.331	40	30		IGEBMO
C=CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2ccc(Cl)cc2)CC1	ZINC000022929510	557273945	/nfs/dbraw/zinc/27/39/45/557273945.db2.gz	UDDBYQGWTPAQOY-JOCHJYFZSA-N	1	1	438.963	3.276	40	30		IGEBMO
Cc1ccc(N2CC[N@@H+](CC(C)C)C3(CCN(C(=O)c4cccc(C#N)c4)CC3)C2=O)cn1	ZINC000096230374	569387362	/nfs/dbraw/zinc/38/73/62/569387362.db2.gz	CATDPPBNRGAOAU-UHFFFAOYSA-N	1	1	445.567	3.241	40	30		IGEBMO
Cc1ccc(N2CC[N@H+](CC(C)C)C3(CCN(C(=O)c4cccc(C#N)c4)CC3)C2=O)cn1	ZINC000096230374	569387363	/nfs/dbraw/zinc/38/73/63/569387363.db2.gz	CATDPPBNRGAOAU-UHFFFAOYSA-N	1	1	445.567	3.241	40	30		IGEBMO
C=CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000014944805	557126826	/nfs/dbraw/zinc/12/68/26/557126826.db2.gz	GJGMEQXVOWSZFX-YCFYUYSTSA-N	1	1	447.922	3.352	40	30		IGEBMO
CC1=C[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1	ZINC000030880845	291354686	/nfs/dbraw/zinc/35/46/86/291354686.db2.gz	PRYYZQNEFVCJAK-HJOGWXRNSA-N	1	1	436.600	3.307	40	30	biogenic,in-vitro	IGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319138	520912626	/nfs/dbraw/zinc/91/26/26/520912626.db2.gz	XJOGATJZEDQJIA-SCQYRGFBSA-N	1	1	437.631	3.489	40	30		IGEBMO
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000032508531	556540080	/nfs/dbraw/zinc/54/00/80/556540080.db2.gz	BOTQSSAUYJPBTM-OESRFMOGSA-N	1	1	437.631	3.489	40	30		IGEBMO
C=CC[NH+](CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000031667139	568866037	/nfs/dbraw/zinc/86/60/37/568866037.db2.gz	CDKBJNSQMZQAME-UHFFFAOYSA-N	1	1	443.412	3.005	40	30		IGEBMO
CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000054333068	523822479	/nfs/dbraw/zinc/82/24/79/523822479.db2.gz	BOTQSSAUYJPBTM-GEVVKUKMSA-N	1	1	437.631	3.489	40	30		IGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319269	557291392	/nfs/dbraw/zinc/29/13/92/557291392.db2.gz	PIMMZWOWBNYGJD-QSDHIIRHSA-N	1	1	437.631	3.489	40	30		IGEBMO
Cc1cc(OCC2(O)CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc(C)c1Cl	ZINC000585270619	568617210	/nfs/dbraw/zinc/61/72/10/568617210.db2.gz	GVYYMXFYWLXVID-UHFFFAOYSA-N	1	1	441.959	3.351	40	30		IGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319263	557291397	/nfs/dbraw/zinc/29/13/97/557291397.db2.gz	PIMMZWOWBNYGJD-NJOYMBDGSA-N	1	1	437.631	3.489	40	30		IGEBMO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(COc4ccccc4)n3)sc2C1	ZINC000408581577	569286283	/nfs/dbraw/zinc/28/62/83/569286283.db2.gz	IZOQJMCMPYRGNC-UHFFFAOYSA-N	1	1	440.554	3.036	40	30		IGEBMO
C[N@H+]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(COc4ccccc4)n3)sc2C1	ZINC000408581577	569286284	/nfs/dbraw/zinc/28/62/84/569286284.db2.gz	IZOQJMCMPYRGNC-UHFFFAOYSA-N	1	1	440.554	3.036	40	30		IGEBMO
C=CCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccc(F)cc21	ZINC000072394819	519280240	/nfs/dbraw/zinc/28/02/40/519280240.db2.gz	KGROOVCAWUGKPI-KEVCNVLYSA-N	1	1	436.531	3.390	40	30		IGEBMO
C=CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2ccc(Cl)cc2)CC1	ZINC000022929507	557273971	/nfs/dbraw/zinc/27/39/71/557273971.db2.gz	UDDBYQGWTPAQOY-QFIPXVFZSA-N	1	1	438.963	3.276	40	30		IGEBMO
C=CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000012363554	518878845	/nfs/dbraw/zinc/87/88/45/518878845.db2.gz	GJGMEQXVOWSZFX-QTDDQOEGSA-N	1	1	447.922	3.352	40	30		IGEBMO
CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000032508532	556540113	/nfs/dbraw/zinc/54/01/13/556540113.db2.gz	BOTQSSAUYJPBTM-GQCPGJRKSA-N	1	1	437.631	3.489	40	30		IGEBMO
C#CCOc1cccc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc(=O)[nH]c(C)n3)C2)c1	ZINC000019285510	568853546	/nfs/dbraw/zinc/85/35/46/568853546.db2.gz	RVQSAIAUIAHWDC-BJKOFHAPSA-N	1	1	429.520	3.482	40	30		IGEBMO
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)nnc1-c1ccncc1	ZINC000408582413	569286303	/nfs/dbraw/zinc/28/63/03/569286303.db2.gz	NZISIUJEIQRRAS-UHFFFAOYSA-N	1	1	439.570	3.012	40	30		IGEBMO
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)nnc1-c1ccncc1	ZINC000408582413	569286305	/nfs/dbraw/zinc/28/63/05/569286305.db2.gz	NZISIUJEIQRRAS-UHFFFAOYSA-N	1	1	439.570	3.012	40	30		IGEBMO
N#Cc1ccc(NC[C@H]2CC[C@@]3(COCC[N@@H+](Cc4ccccc4OC(F)F)C3)O2)nc1	ZINC000306130982	569286550	/nfs/dbraw/zinc/28/65/50/569286550.db2.gz	JUANTJMNNMBINH-AUSIDOKSSA-N	1	1	444.482	3.417	40	30		IGEBMO
N#Cc1ccc(NC[C@H]2CC[C@@]3(COCC[N@H+](Cc4ccccc4OC(F)F)C3)O2)nc1	ZINC000306130982	569286551	/nfs/dbraw/zinc/28/65/51/569286551.db2.gz	JUANTJMNNMBINH-AUSIDOKSSA-N	1	1	444.482	3.417	40	30		IGEBMO
C=CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@H+]12	ZINC000100206600	555702508	/nfs/dbraw/zinc/70/25/08/555702508.db2.gz	JNHADTJUPUDAGI-ZUVQJFRASA-N	1	1	427.504	3.088	40	30		IGEBMO
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)n1	ZINC000408582725	569286314	/nfs/dbraw/zinc/28/63/14/569286314.db2.gz	PORDDNBSGLZEIZ-UHFFFAOYSA-N	1	1	427.477	3.456	40	30		IGEBMO
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)n1	ZINC000408582725	569286316	/nfs/dbraw/zinc/28/63/16/569286316.db2.gz	PORDDNBSGLZEIZ-UHFFFAOYSA-N	1	1	427.477	3.456	40	30		IGEBMO
C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043119700	518783386	/nfs/dbraw/zinc/78/33/86/518783386.db2.gz	FZMWGFNRTRITGY-OAQYLSRUSA-N	1	1	429.427	3.041	40	30		IGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319142	557291224	/nfs/dbraw/zinc/29/12/24/557291224.db2.gz	XJOGATJZEDQJIA-UGJKGHESSA-N	1	1	437.631	3.489	40	30		IGEBMO
CCOC(O)=C([N+]#N)C(=O)Nc1cnn(-c2ccccc2)c(=O)c1NCc1ccccc1	ZINC000137152365	569262713	/nfs/dbraw/zinc/26/27/13/569262713.db2.gz	APARNLHLPLNHAY-UHFFFAOYSA-O	1	1	433.448	3.400	40	30		IGEBMO
COc1cc(/C=N\N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc(OC)c1OC(C)=O	ZINC000032576951	569217509	/nfs/dbraw/zinc/21/75/09/569217509.db2.gz	WQXTXVXCHLDQLK-MYYYXRDXSA-N	1	1	425.529	3.398	40	30		IGEBMO
COc1ccc(OC)c2c1[C@H]1C(=O)C=C[C@@]23[C@H]2Cc4ccc(OC)c(OC)c4[C@@]13CC[N@H+]2C	ZINC000001699864	555709920	/nfs/dbraw/zinc/70/99/20/555709920.db2.gz	DQTBOURYFPQWFJ-YVAZPRMJSA-N	1	1	447.531	3.393	40	30		IGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319139	557291235	/nfs/dbraw/zinc/29/12/35/557291235.db2.gz	XJOGATJZEDQJIA-QNWGQDPCSA-N	1	1	437.631	3.489	40	30		IGEBMO