smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3cc(O)ccc3c3c(c2cc1OC)CN1CCC[C@H]1[C@@H]3O	ZINC000004934416	204178424	/nfs/dbraw/zinc/17/84/24/204178424.db2.gz	SBVBOLGVLBCFIL-AVRDEDQJSA-N	0	3	365.429	3.727	1	5		FHBFHN
COc1cc2c(cc1OC)c1c(O)cccc1c1c2CN2CCC[C@H]2[C@H]1O	ZINC000066259389	205365298	/nfs/dbraw/zinc/36/52/98/205365298.db2.gz	MWKXLFPXHWWBIA-KSFYIVLOSA-N	0	3	365.429	3.727	1	5		FHBFHN
CN(C)CCN1CCN(c2c3[nH]c4ccccc4c3nc3ccccc32)CC1	ZINC000095573836	535875538	/nfs/dbraw/zinc/87/55/38/535875538.db2.gz	JFHPAQKFVDFLBY-UHFFFAOYSA-N	0	3	373.504	3.553	1	5		FHBFHN
COc1ccc2c(c1)sc1c3ccccc3n(CCN(C)C)c1c2=O	ZINC000043062617	205100144	/nfs/dbraw/zinc/10/01/44/205100144.db2.gz	NGMQLYSSHIKFHE-UHFFFAOYSA-N	0	3	352.459	3.940	1	5		FHBFHN
C[n+]1c2c(cc3cc(Br)ccc31)[n-]c1ccc([N+](=O)[O-])cc12	ZINC000006744944	204265838	/nfs/dbraw/zinc/26/58/38/204265838.db2.gz	NDXPBXBTCLVYQH-UHFFFAOYSA-O	0	3	357.187	3.970	1	5		FHBFHN
COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000064380878	205298187	/nfs/dbraw/zinc/29/81/87/205298187.db2.gz	WXZFAWFIMBPTEP-WOJBJXKFSA-N	0	3	368.433	3.906	1	5	in-vivo	FHBFHN
CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ccncc12	ZINC000043011556	208301194	/nfs/dbraw/zinc/30/11/94/208301194.db2.gz	STBPVOCFJLIBIC-UHFFFAOYSA-N	0	3	366.852	3.814	1	5		FHBFHN
Nc1c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2nc2c1CCCC2	ZINC000045201610	208327672	/nfs/dbraw/zinc/32/76/72/208327672.db2.gz	YLGZOIAXBFBPNU-UHFFFAOYSA-N	0	3	362.389	3.856	1	5		FHBFHN
COc1cc2c3cc(O)ccc3c3c(c2cc1OC)CN1CCC[C@H]1[C@H]3O	ZINC000014824811	560226847	/nfs/dbraw/zinc/22/68/47/560226847.db2.gz	SBVBOLGVLBCFIL-PGRDOPGGSA-N	0	3	365.429	3.727	1	5	biogenic,in-vitro	FHBFHN
O=c1[nH]n(Cc2ccccc2CN2CCCCC2)c2ccc([N+](=O)[O-])cc12	ZINC000040939730	208277108	/nfs/dbraw/zinc/27/71/08/208277108.db2.gz	YJVXTVUXEBTTSP-UHFFFAOYSA-N	0	3	366.421	3.684	1	5		FHBFHN
CN(C)CCNC(=O)c1cc2c3cccc(Cl)c3[nH]c2c2ncccc12	ZINC000043023036	208300035	/nfs/dbraw/zinc/30/00/35/208300035.db2.gz	KCQJQTRJLKBEKU-UHFFFAOYSA-N	0	3	366.852	3.814	1	5		FHBFHN
CN(C)CCNc1nc2c3cccnc3ccc2c2cc3c(cc21)OCO3	ZINC000071282258	221338324	/nfs/dbraw/zinc/33/83/24/221338324.db2.gz	UYRHTCLSZRKQJJ-UHFFFAOYSA-N	0	3	360.417	3.638	1	5		FHBFHN
O=C(CCN1CCCCC1)Nc1ccc2sc3ccccc3c(=O)c2n1	ZINC000001644198	210363665	/nfs/dbraw/zinc/36/36/65/210363665.db2.gz	WNHDOFVMJQNDOF-UHFFFAOYSA-N	0	3	367.474	3.624	1	5		FHBFHN
CN(C)CCN1C(=O)c2cccc3c(Cl)c4ccccc4c(c32)C1=O	ZINC000003805652	210493043	/nfs/dbraw/zinc/49/30/43/210493043.db2.gz	XGYXHXPLVANWMB-UHFFFAOYSA-N	0	3	352.821	3.804	1	5		FHBFHN
CN(C)CCNC(=O)c1cccc2c3ccccc3c(-c3ccncc3)nc12	ZINC000001613481	210361791	/nfs/dbraw/zinc/36/17/91/210361791.db2.gz	FESVOZYEBSIURC-UHFFFAOYSA-N	0	3	370.456	3.741	1	5		FHBFHN
CN(C)CCN1C(=O)c2c3c4ccccc4[nH]c3c3ccccc3c2C1=O	ZINC000013679827	211049167	/nfs/dbraw/zinc/04/91/67/211049167.db2.gz	OSJXZPKKXPHJQU-UHFFFAOYSA-N	0	3	357.413	3.632	1	5		FHBFHN
COc1ccc2c(c1)c1cc(O)c(OC)cc1c1c2[C@H](O)[C@@H]2CCCN2C1	ZINC000006018879	560109132	/nfs/dbraw/zinc/10/91/32/560109132.db2.gz	CMFIDYCYVJWPPL-PGRDOPGGSA-N	0	3	365.429	3.727	1	5	biogenic,in-vivo	FHBFHN
CCN(CC)CCNc1c(C)cc(CO)c2sc3ccccc3c(=O)c12	ZINC000100981288	222258960	/nfs/dbraw/zinc/25/89/60/222258960.db2.gz	PDOBKRYHMIXFOK-UHFFFAOYSA-N	0	3	370.518	3.969	1	5		FHBFHN
O=c1c2ccccc2n(C[C@@H](O)CN2CCCCC2)c2c(Cl)cccc12	ZINC000049582970	221025449	/nfs/dbraw/zinc/02/54/49/221025449.db2.gz	TXUQIVCNJMPUTF-HNNXBMFYSA-N	0	3	370.880	3.655	1	5		FHBFHN
C[N+]1(CCCOc2cc(=O)c3c([O-])c4ccccc4oc-3c2)CCCC1	ZINC000299832286	717181395	/nfs/dbraw/zinc/18/13/95/717181395.db2.gz	UIKOSBRNISFNQY-UHFFFAOYSA-O	0	3	354.426	3.661	1	5		FHBFHN
C[N+]1(CCCOc2cc([O-])c3c(c2)oc2ccccc2c3=O)CCCC1	ZINC000299832286	717181397	/nfs/dbraw/zinc/18/13/97/717181397.db2.gz	UIKOSBRNISFNQY-UHFFFAOYSA-O	0	3	354.426	3.661	1	5		FHBFHN
COc1ccc2c(c1)c1cc(O)c(OC)cc1c1c2[C@@H](O)[C@@H]2CCCN2C1	ZINC000014824813	291078339	/nfs/dbraw/zinc/07/83/39/291078339.db2.gz	CMFIDYCYVJWPPL-AVRDEDQJSA-N	0	3	365.429	3.727	1	5	biogenic,in-vivo	FHBFHN
Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccccc1)c1ccc(C)cc1	ZINC000028474239	220576218	/nfs/dbraw/zinc/57/62/18/220576218.db2.gz	NFHMMHNGSWMASR-HXUWFJFHSA-N	0	3	350.422	3.787	1	5		FHBFHN
COc1ccc2c(CN3CCC(O)CC3)cc3cc4c(cc3c2c1)OCO4	ZINC000043017414	220944065	/nfs/dbraw/zinc/94/40/65/220944065.db2.gz	FZHLKOUEUHFPGE-UHFFFAOYSA-N	0	3	365.429	3.687	1	5		FHBFHN
COc1cc2c3ccc(O)cc3c3c(c2cc1OC)CN1CCC[C@H]1[C@H]3O	ZINC000066252340	221242561	/nfs/dbraw/zinc/24/25/61/221242561.db2.gz	YXBZQEWWZUMHRQ-PGRDOPGGSA-N	0	3	365.429	3.727	1	5		FHBFHN