smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=C(Nc1ccc(N=Nc2ccccc2)cc1)SCc1ccccc1	ZINC000018068753	220222790	/nfs/dbraw/zinc/22/27/90/220222790.db2.gz	LFWUBVCDKFYXJS-GHVJWSGMSA-N	0	2	363.511	6.732	40	10		FKCBLN
O=[N+]([O-])c1ccc(O)c(CN(c2ccccc2)c2ccc3ccccc3c2)c1	ZINC000035183016	571075739	/nfs/dbraw/zinc/07/57/39/571075739.db2.gz	MYPHJSRFISXNAQ-UHFFFAOYSA-N	0	2	370.408	5.792	40	10		FKCBLN
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Cl)cc1Cl	ZINC000100922849	222257733	/nfs/dbraw/zinc/25/77/33/222257733.db2.gz	FFHZIPQGPFKDSB-GDNBJRDFSA-N	0	2	360.244	5.020	40	10		FKCBLN
S=C(Nc1ccc(N=Nc2ccccc2)cc1)SCc1ccccc1	ZINC000104191872	209259039	/nfs/dbraw/zinc/25/90/39/209259039.db2.gz	LFWUBVCDKFYXJS-FCQUAONHSA-N	0	2	363.511	6.732	40	10		FKCBLN
CCCC1=NN(c2ccccc2)C(=O)C1C(C)=Nc1ccccc1Cl	ZINC000112115042	570810509	/nfs/dbraw/zinc/81/05/09/570810509.db2.gz	HQZXTPCLNPHXHF-RGEXLXHISA-N	0	2	353.853	5.229	40	10		FKCBLN
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccccc1Cl	ZINC000112115042	570810506	/nfs/dbraw/zinc/81/05/06/570810506.db2.gz	HQZXTPCLNPHXHF-RGEXLXHISA-N	0	2	353.853	5.229	40	10		FKCBLN
CCCc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1Cl	ZINC000112115042	570810504	/nfs/dbraw/zinc/81/05/04/570810504.db2.gz	HQZXTPCLNPHXHF-RGEXLXHISA-N	0	2	353.853	5.229	40	10		FKCBLN
CC(=Nc1cc(Cl)ccc1Cl)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000112116283	570810529	/nfs/dbraw/zinc/81/05/29/570810529.db2.gz	NFVAAVADXRSFKE-BOPFTXTBSA-N	0	2	360.244	5.102	40	10		FKCBLN
CC(=Nc1cc(Cl)ccc1Cl)C1C(=O)N(c2ccccc2)N=C1C	ZINC000112116283	570810528	/nfs/dbraw/zinc/81/05/28/570810528.db2.gz	NFVAAVADXRSFKE-BOPFTXTBSA-N	0	2	360.244	5.102	40	10		FKCBLN
CC(=Nc1ccc(Cl)cc1Cl)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000112116289	570810375	/nfs/dbraw/zinc/81/03/75/570810375.db2.gz	GERTYVQTSKDGAZ-BOPFTXTBSA-N	0	2	360.244	5.102	40	10		FKCBLN
CC(=Nc1ccc(Cl)cc1Cl)C1C(=O)N(c2ccccc2)N=C1C	ZINC000112116289	570810371	/nfs/dbraw/zinc/81/03/71/570810371.db2.gz	GERTYVQTSKDGAZ-BOPFTXTBSA-N	0	2	360.244	5.102	40	10		FKCBLN
CCCC1=NN(c2ccc(F)cc2)C(=O)C1C(C)=Nc1ccccc1Cl	ZINC000112118770	570810940	/nfs/dbraw/zinc/81/09/40/570810940.db2.gz	MAHLXSDWPVTBJA-UYRXBGFRSA-N	0	2	371.843	5.368	40	10		FKCBLN
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccc1Cl	ZINC000112118770	570810938	/nfs/dbraw/zinc/81/09/38/570810938.db2.gz	MAHLXSDWPVTBJA-UYRXBGFRSA-N	0	2	371.843	5.368	40	10		FKCBLN
CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccccc1Cl	ZINC000112118770	570810935	/nfs/dbraw/zinc/81/09/35/570810935.db2.gz	MAHLXSDWPVTBJA-UYRXBGFRSA-N	0	2	371.843	5.368	40	10		FKCBLN
CC1=NN(c2cccc(C)c2)C(=O)C1C=Nc1cc(Cl)ccc1Cl	ZINC000408527330	570508143	/nfs/dbraw/zinc/50/81/43/570508143.db2.gz	DISMLZWKTHUQPF-GDNBJRDFSA-N	0	2	360.244	5.020	40	10		FKCBLN
CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1cc(Cl)ccc1Cl	ZINC000408527330	570508142	/nfs/dbraw/zinc/50/81/42/570508142.db2.gz	DISMLZWKTHUQPF-GDNBJRDFSA-N	0	2	360.244	5.020	40	10		FKCBLN