smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000015012478	553525546	/nfs/dbraw/zinc/52/55/46/553525546.db2.gz	OSZMOTIILJKSQD-PXNMLYILSA-N	-1	2	517.332	4.435	40	10		KICBLM
COc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(C(=O)[O-])c1OCc1ccccc1	ZINC000016195727	553556643	/nfs/dbraw/zinc/55/66/43/553556643.db2.gz	BEUJHKIHCULCSA-JAIQZWGSSA-N	-1	2	517.450	4.387	40	10		KICBLM
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3csc(NS(=O)(=O)c4ccc(C)cc4)n3)cs2)cc1	ZINC000016310671	553559738	/nfs/dbraw/zinc/55/97/38/553559738.db2.gz	QAVOLXHARWUQSK-UHFFFAOYSA-N	-1	2	506.656	4.485	40	10		KICBLM
CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000020286506	553632423	/nfs/dbraw/zinc/63/24/23/553632423.db2.gz	QOWABQLYXYDGBH-QNGOZBTKSA-N	-1	2	510.532	4.109	40	10		KICBLM
CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C	ZINC000020286506	553632421	/nfs/dbraw/zinc/63/24/21/553632421.db2.gz	QOWABQLYXYDGBH-QNGOZBTKSA-N	-1	2	510.532	4.109	40	10		KICBLM
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1	ZINC000032115626	553864692	/nfs/dbraw/zinc/86/46/92/553864692.db2.gz	XSTKQXZIKKEKIM-STZFKDTASA-N	-1	2	500.463	4.257	40	10		KICBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000032193772	553867013	/nfs/dbraw/zinc/86/70/13/553867013.db2.gz	IZPKLWGQHWFMGO-DEDYPNTBSA-N	-1	2	506.898	4.292	40	10		KICBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1	ZINC000033321548	553921083	/nfs/dbraw/zinc/92/10/83/553921083.db2.gz	OTPNJEIYSANAED-BKUYFWCQSA-N	-1	2	502.479	4.488	40	10		KICBLM
COc1cccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000059104294	554379652	/nfs/dbraw/zinc/37/96/52/554379652.db2.gz	STFJJOUDFBDXSQ-YBFXNURJSA-N	-1	2	516.462	4.208	40	10		KICBLM
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000059198210	193890809	/nfs/dbraw/zinc/89/08/09/193890809.db2.gz	STJQJZJUSRMRSF-AWNIVKPZSA-N	-1	2	509.696	4.081	40	10		KICBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059248671	554386926	/nfs/dbraw/zinc/38/69/26/554386926.db2.gz	BLGPUSBKLKUTRK-LPYMAVHISA-N	-1	2	500.507	4.256	40	10		KICBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059248733	554387141	/nfs/dbraw/zinc/38/71/41/554387141.db2.gz	UMKIPOITHJGOFJ-UDWIEESQSA-N	-1	2	506.898	4.292	40	10		KICBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O	ZINC000059302441	554388141	/nfs/dbraw/zinc/38/81/41/554388141.db2.gz	JYTMYEPVMLZNFO-KGENOOAVSA-N	-1	2	500.507	4.201	40	10		KICBLM
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1	ZINC000059426670	554395180	/nfs/dbraw/zinc/39/51/80/554395180.db2.gz	XJULBDYFQAVFDI-VZUCSPMQSA-N	-1	2	500.530	4.237	40	10		KICBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059678487	554424311	/nfs/dbraw/zinc/42/43/11/554424311.db2.gz	SCQOTMKHXWPSEC-FYJGNVAPSA-N	-1	2	500.507	4.256	40	10		KICBLM
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000100199687	554246626	/nfs/dbraw/zinc/24/66/26/554246626.db2.gz	RTPMMIUZEAXSAD-NDENLUEZSA-N	-1	2	551.349	4.401	40	10		KICBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000100251991	554262955	/nfs/dbraw/zinc/26/29/55/554262955.db2.gz	WYDLRNFSKJPWAR-QGMBQPNBSA-N	-1	2	595.358	4.130	40	10		KICBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)c(OC)c1	ZINC000101682904	554828708	/nfs/dbraw/zinc/82/87/08/554828708.db2.gz	SODPEFMTCVSFJC-VXLYETTFSA-N	-1	2	523.929	4.129	40	10		KICBLM
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000103843771	571362785	/nfs/dbraw/zinc/36/27/85/571362785.db2.gz	LEJDZWVTNGDZSV-PXLXIMEGSA-N	-1	2	530.533	4.428	40	10		KICBLM
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1	ZINC000103845678	571363209	/nfs/dbraw/zinc/36/32/09/571363209.db2.gz	VLAWJLONNQAEIJ-UDWIEESQSA-N	-1	2	521.323	4.393	40	10		KICBLM
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)c1	ZINC000103846561	571363446	/nfs/dbraw/zinc/36/34/46/571363446.db2.gz	AWOSFRXEBIAQHZ-HZHRSRAPSA-N	-1	2	530.533	4.428	40	10		KICBLM
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Br)c3)C2=O)c1	ZINC000103846677	571363468	/nfs/dbraw/zinc/36/34/68/571363468.db2.gz	DABHVRXIKOQIOG-VGOFMYFVSA-N	-1	2	567.776	4.030	40	10		KICBLM
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000103846689	571363407	/nfs/dbraw/zinc/36/34/07/571363407.db2.gz	ARRJOGNOLCYNGI-DEDYPNTBSA-N	-1	2	521.323	4.393	40	10		KICBLM
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2I)cc1	ZINC000103849720	571364217	/nfs/dbraw/zinc/36/42/17/571364217.db2.gz	FUMNDAQNAVSGNK-YBFXNURJSA-N	-1	2	586.313	4.374	40	10		KICBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000103849814	571364350	/nfs/dbraw/zinc/36/43/50/571364350.db2.gz	NURVXQQDPWTJPS-VXLYETTFSA-N	-1	2	524.888	4.431	40	10		KICBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000103849945	571364243	/nfs/dbraw/zinc/36/42/43/571364243.db2.gz	MOSOABRYQJDUBL-VXLYETTFSA-N	-1	2	616.339	4.383	40	10		KICBLM
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1	ZINC000103858398	571366650	/nfs/dbraw/zinc/36/66/50/571366650.db2.gz	DGLCEFHIIRNOAX-FYJGNVAPSA-N	-1	2	521.323	4.393	40	10		KICBLM
O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	ZINC000103858485	571366520	/nfs/dbraw/zinc/36/65/20/571366520.db2.gz	DADJDEJNFAALKL-LFYBBSHMSA-N	-1	2	603.017	4.104	40	10		KICBLM
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000103920116	571369715	/nfs/dbraw/zinc/36/97/15/571369715.db2.gz	HZRQKRIEJAEZPN-KQWNVCNZSA-N	-1	2	580.648	4.354	40	10		KICBLM
O=c1c(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1	ZINC000104240915	571377719	/nfs/dbraw/zinc/37/77/19/571377719.db2.gz	ROPMBMQGOCGNSH-FLWNBWAVSA-N	-1	2	557.617	4.095	40	10		KICBLM
O=c1c(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1	ZINC000104240920	571377710	/nfs/dbraw/zinc/37/77/10/571377710.db2.gz	ROPMBMQGOCGNSH-QVIHXGFCSA-N	-1	2	557.617	4.095	40	10		KICBLM
CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O	ZINC000112299961	571438474	/nfs/dbraw/zinc/43/84/74/571438474.db2.gz	CMGABGCPBYXTTK-BKUYFWCQSA-N	-1	2	500.943	4.179	40	10		KICBLM
COc1ccc(-n2[nH]c(C)c(C(C)=Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)nn4)cc3)c2=O)cc1	ZINC000113474685	571438819	/nfs/dbraw/zinc/43/88/19/571438819.db2.gz	QZCKQBWFXJOFGP-HMAPJEAMSA-N	-1	2	512.979	4.048	40	10		KICBLM
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)cc1	ZINC000150380368	571466940	/nfs/dbraw/zinc/46/69/40/571466940.db2.gz	HLBRPXDMNPCAOJ-CHHVJCJISA-N	-1	2	660.202	4.149	40	10		KICBLM
O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)o1	ZINC000408541232	572207788	/nfs/dbraw/zinc/20/77/88/572207788.db2.gz	FIWUGQANQSQLRS-YBFXNURJSA-N	-1	2	534.322	4.410	40	10		KICBLM
O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c3ccccc32)o1	ZINC000408542093	572209651	/nfs/dbraw/zinc/20/96/51/572209651.db2.gz	GYEDEULWDUVOIY-VXLYETTFSA-N	-1	2	534.322	4.410	40	10		KICBLM
O=C([O-])COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1I	ZINC000408773382	1064290673	/nfs/dbraw/zinc/29/06/73/1064290673.db2.gz	KJWFZRORQFXYRX-XCVCLJGOSA-N	-1	2	687.011	4.332	40	10		KICBLM
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000408777332	1064289973	/nfs/dbraw/zinc/28/99/73/1064289973.db2.gz	YRPZKQQBSMYMLP-LFYBBSHMSA-N	-1	2	711.044	4.097	40	10		KICBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1	ZINC000408781373	1064291568	/nfs/dbraw/zinc/29/15/68/1064291568.db2.gz	BYGWCDRQGUGIFW-UDWIEESQSA-N	-1	2	598.349	4.243	40	10		KICBLM