smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038859697	205045281	/nfs/dbraw/zinc/04/52/81/205045281.db2.gz	MEIYDPUZSOVZIS-INIZCTEOSA-N	1	1	371.412	3.893	40	5		FHBBMO
CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000059422878	571357159	/nfs/dbraw/zinc/35/71/59/571357159.db2.gz	NCXNISACFGWWOG-RVDMUPIBSA-N	1	1	363.439	3.711	40	5		FHBBMO
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013669474	571110323	/nfs/dbraw/zinc/11/03/23/571110323.db2.gz	AZDPJVYTROXJOZ-ZDUSSCGKSA-N	1	1	353.850	3.633	40	5		FHBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038853916	205042321	/nfs/dbraw/zinc/04/23/21/205042321.db2.gz	SHDLIUYNSVNRTJ-OAHLLOKOSA-N	1	1	357.385	3.585	40	5		FHBBMO
C[N@@H+](CCOC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000005719630	570839502	/nfs/dbraw/zinc/83/95/02/570839502.db2.gz	VLXCOZKEXXHKRC-UHFFFAOYSA-N	1	1	358.438	3.652	40	5		FHBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038859695	205045237	/nfs/dbraw/zinc/04/52/37/205045237.db2.gz	MEIYDPUZSOVZIS-MRXNPFEDSA-N	1	1	371.412	3.893	40	5		FHBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000044884966	205113609	/nfs/dbraw/zinc/11/36/09/205113609.db2.gz	GLTCWNDQFWWJHB-UHFFFAOYSA-N	1	1	370.796	3.672	40	5		FHBBMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000010543020	204398008	/nfs/dbraw/zinc/39/80/08/204398008.db2.gz	VUOXASCNJGERJN-CQSZACIVSA-N	1	1	353.850	3.633	40	5		FHBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038853919	208209017	/nfs/dbraw/zinc/20/90/17/208209017.db2.gz	SHDLIUYNSVNRTJ-HNNXBMFYSA-N	1	1	357.385	3.585	40	5		FHBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000030849857	208005830	/nfs/dbraw/zinc/00/58/30/208005830.db2.gz	YCXGZQADBPPJIR-UHFFFAOYSA-N	1	1	370.796	3.672	40	5		FHBBMO
Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000038859770	208208334	/nfs/dbraw/zinc/20/83/34/208208334.db2.gz	GHHQJKNFJGWSSZ-UHFFFAOYSA-N	1	1	350.378	3.709	40	5		FHBBMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000010543030	263366600	/nfs/dbraw/zinc/36/66/00/263366600.db2.gz	DARRXLULWCQTOA-CYBMUJFWSA-N	1	1	353.850	3.633	40	5		FHBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020485643	211283466	/nfs/dbraw/zinc/28/34/66/211283466.db2.gz	AEYBUSHVPLJMEV-UHFFFAOYSA-N	1	1	370.796	3.672	40	5		FHBBMO
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000010543032	263366435	/nfs/dbraw/zinc/36/64/35/263366435.db2.gz	DARRXLULWCQTOA-ZDUSSCGKSA-N	1	1	353.850	3.633	40	5		FHBBMO
O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1	ZINC000049169343	221020824	/nfs/dbraw/zinc/02/08/24/221020824.db2.gz	XQUXGOLGVBKTDS-INIZCTEOSA-N	1	1	350.378	3.634	40	5	biogenic,in-vitro	FHBBMO
O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000004887574	210575237	/nfs/dbraw/zinc/57/52/37/210575237.db2.gz	IGSLNGYPTRKCAY-ZNXRZULTSA-N	1	1	357.454	3.653	40	5		FHBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000044900046	570902394	/nfs/dbraw/zinc/90/23/94/570902394.db2.gz	CSHGRLVVMMOROV-UHFFFAOYSA-N	1	1	370.796	3.672	40	5		FHBBMO
Cc1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-]	ZINC000038860169	571052003	/nfs/dbraw/zinc/05/20/03/571052003.db2.gz	IBMFNANIJWWWGR-MRXNPFEDSA-N	1	1	371.412	3.893	40	5		FHBBMO
COc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=[NH+]CCCC2)cc1	ZINC000007275543	571263736	/nfs/dbraw/zinc/26/37/36/571263736.db2.gz	AJBWSODPIHNNTD-UHFFFAOYSA-N	1	1	367.405	3.875	40	5		FHBBMO
COc1cc2c(cc1OC)[C@H](CCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC2	ZINC000001999638	210376564	/nfs/dbraw/zinc/37/65/64/210376564.db2.gz	AWDKLHCXDUACLM-SFHVURJKSA-N	1	1	356.422	3.774	40	5		FHBBMO
O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000004887600	570553854	/nfs/dbraw/zinc/55/38/54/570553854.db2.gz	SOGTUNSFNZCTHD-QNBRMCRTSA-N	1	1	357.454	3.653	40	5		FHBBMO
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000010543022	571321513	/nfs/dbraw/zinc/32/15/13/571321513.db2.gz	VUOXASCNJGERJN-AWEZNQCLSA-N	1	1	353.850	3.633	40	5		FHBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000020495420	220329879	/nfs/dbraw/zinc/32/98/79/220329879.db2.gz	HXOVMPHALBFECC-UHFFFAOYSA-N	1	1	370.796	3.672	40	5		FHBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000216255658	571342206	/nfs/dbraw/zinc/34/22/06/571342206.db2.gz	DMRNMCRJAALXGJ-UHFFFAOYSA-N	1	1	370.796	3.672	40	5		FHBBMO
Cc1c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-]	ZINC000038860172	571052013	/nfs/dbraw/zinc/05/20/13/571052013.db2.gz	IBMFNANIJWWWGR-INIZCTEOSA-N	1	1	371.412	3.893	40	5		FHBBMO
CCC[NH+](CCC)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O	ZINC000059422875	571090405	/nfs/dbraw/zinc/09/04/05/571090405.db2.gz	SDUCFWIXMLYVTA-RVDMUPIBSA-N	1	1	363.439	3.711	40	5		FHBBMO
C[N@@H+](CCOC(=O)c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000005719631	570839471	/nfs/dbraw/zinc/83/94/71/570839471.db2.gz	RNFAZLMNMYQBEH-UHFFFAOYSA-N	1	1	358.438	3.652	40	5		FHBBMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013669473	220081824	/nfs/dbraw/zinc/08/18/24/220081824.db2.gz	AZDPJVYTROXJOZ-CYBMUJFWSA-N	1	1	353.850	3.633	40	5		FHBBMO
O=[N+]([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1c2cccnc2[nH]c1C1CC1	ZINC000057773955	221092808	/nfs/dbraw/zinc/09/28/08/221092808.db2.gz	SNBJECJCIORMBC-ROUUACIJSA-N	1	1	362.433	3.685	40	5		FHBBMO
C[NH+]1CCN(c2ccc(-c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1	ZINC000409192160	570583736	/nfs/dbraw/zinc/58/37/36/570583736.db2.gz	VBBHACFTWVJSOU-UHFFFAOYSA-N	1	1	354.435	3.623	40	5		FHBBMO
O=C(CN(Cc1ccccc1)C1=[NH+]CCCS1)c1cccc([N+](=O)[O-])c1	ZINC000016769040	220193704	/nfs/dbraw/zinc/19/37/04/220193704.db2.gz	KUUGRXZHXJWCJI-UHFFFAOYSA-N	1	1	369.446	3.773	40	5		FHBBMO
Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000038860241	571052036	/nfs/dbraw/zinc/05/20/36/571052036.db2.gz	NCTIVRMGGKHKIF-UHFFFAOYSA-N	1	1	350.378	3.709	40	5		FHBBMO